data_2xl6_qFit
_cell.length_a                    52.940
_cell.length_b                    52.940
_cell.length_c                    182.910
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      443951.923
_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     7.28
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              26.20
_refine.ls_d_res_high             1.03
_refine.pdbx_ls_sigma_F           1.36
_refine.ls_percent_reflns_obs     99.06
_refine.ls_number_reflns_obs      74680
_refine.ls_number_reflns_R_work   72681
_refine.ls_number_reflns_R_free   1999
_refine.ls_R_factor_obs           0.1710
_refine.ls_R_factor_R_work        0.1705
_refine.ls_R_factor_R_free        0.1898
_refine.ls_percent_reflns_R_free  2.68
_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             0.0836
_refine.pdbx_overall_phase_error  17.9241
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                11.38
_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 1675 0.0283 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2317 1.9387 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 227 0.1028 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 303 0.0184 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 591 13.8099 ? ?

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' 2.49 26.20 5489 0.1628 95.77 0.1885 151
   'X-RAY DIFFRACTION' 1.98 2.49 5307 0.1459 98.54 0.1566 146
   'X-RAY DIFFRACTION' 1.73 1.98 5290 0.1494 99.58 0.1824 146
   'X-RAY DIFFRACTION' 1.57 1.73 5256 0.1483 99.85 0.1722 144
   'X-RAY DIFFRACTION' 1.46 1.57 5230 0.1507 99.94 0.1598 143
   'X-RAY DIFFRACTION' 1.37 1.46 5182 0.1639 99.48 0.2169 143
   'X-RAY DIFFRACTION' 1.30 1.37 5191 0.1735 99.85 0.1932 143
   'X-RAY DIFFRACTION' 1.24 1.30 5151 0.1802 99.44 0.1744 142
   'X-RAY DIFFRACTION' 1.20 1.24 5126 0.1859 99.38 0.2011 141
   'X-RAY DIFFRACTION' 1.16 1.20 5111 0.1953 99.23 0.2107 140
   'X-RAY DIFFRACTION' 1.12 1.16 5105 0.2240 99.21 0.2166 141
   'X-RAY DIFFRACTION' 1.09 1.12 5117 0.2417 99.47 0.2787 141
   'X-RAY DIFFRACTION' 1.06 1.09 5063 0.2597 98.95 0.2458 139
   'X-RAY DIFFRACTION' 1.03 1.06 5063 0.2990 98.58 0.2934 139

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

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 ARG A 69 CD ARG A 68 CD . LYS A 126 NZ LYS A 125 NZ . 'Bond created based on atom type and distance.'
   C00003 covale ARG A 69 CD ARG A 68 CD . LYS A 126 NZ LYS A 125 NZ . 'Bond created based on atom type and distance.'
   C00004 covale CYS A 116 SG CYS A 115 SG . HEC A 128 CAB HEC B . CAB . 'Bond created based on atom type and distance.'
   C00005 covale CYS A 119 SG CYS A 118 SG . HEC A 128 CAC HEC B . CAC . 'Bond created based on atom type and distance.'
   C00006 covale CYS A 119 SG CYS A 118 SG . HEC A 128 CBC HEC B . CBC . 'Bond created based on atom type and distance.'
   C00007 covale HIS A 120 NE2 HIS A 119 NE2 . HEC A 128 NC HEC B . NC . 'Bond created based on atom type and distance.'
   C00008 covale HEC A 128 FE HEC B . FE . NO A 155 N NO D . N . 'Bond created based on atom type and distance.'
   C00009 covale HEC A 128 FE HEC B . FE . NO A 155 N NO D . N . '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
   CYS
   GLN
   GLU
   GLY
   HEC
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   NO
   NO3
   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 ? -32.18230 8.31834 2.88895 1.000 7.28729 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -33.29395 9.13142 3.29860 1.000 7.99587 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -34.54689 8.70593 2.51097 1.000 8.15253 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -34.52281 8.64994 1.26413 1.000 8.87093 O ? A ? 1 O 1
   ATOM 5 HA . PHE A 2 ? -33.52016 9.03236 4.23664 1.000 9.59504 H ? A ? 1 HA 1
   ATOM 6 CB A PHE A 2 ? -32.91849 10.53249 3.09264 0.563 8.04249 C ? A ? 1 CB 1
   ATOM 7 CG A PHE A 2 ? -31.78429 10.92431 3.98323 0.563 6.78934 C ? A ? 1 CG 1
   ATOM 8 CD1 A PHE A 2 ? -31.78407 10.69630 5.35568 0.563 7.76444 C ? A ? 1 CD1 1
   ATOM 9 CD2 A PHE A 2 ? -30.64887 11.42696 3.40209 0.563 7.11198 C ? A ? 1 CD2 1
   ATOM 10 CE1 A PHE A 2 ? -30.64805 10.99581 6.10079 0.563 6.56456 C ? A ? 1 CE1 1
   ATOM 11 CE2 A PHE A 2 ? -29.49555 11.72491 4.17167 0.563 6.49841 C ? A ? 1 CE2 1
   ATOM 12 CZ A PHE A 2 ? -29.52542 11.53189 5.49100 0.563 6.08870 C ? A ? 1 CZ 1
   ATOM 13 HB2 A PHE A 2 ? -32.64331 10.65975 2.17124 0.563 9.65099 H ? A ? 1 HB2 1
   ATOM 14 HB3 A PHE A 2 ? -33.67754 11.10192 3.29385 0.563 9.65099 H ? A ? 1 HB3 1
   ATOM 15 HD1 A PHE A 2 ? -32.53823 10.34605 5.77218 0.563 9.31733 H ? A ? 1 HD1 1
   ATOM 16 HD2 A PHE A 2 ? -30.63469 11.57563 2.48416 0.563 8.53438 H ? A ? 1 HD2 1
   ATOM 17 HE1 A PHE A 2 ? -30.64215 10.83468 7.01671 0.563 7.87748 H ? A ? 1 HE1 1
   ATOM 18 HE2 A PHE A 2 ? -28.72741 12.05106 3.76119 0.563 7.79809 H ? A ? 1 HE2 1
   ATOM 19 HZ A PHE A 2 ? -28.78559 11.75933 6.00659 0.563 7.30644 H ? A ? 1 HZ 1
   ATOM 20 CB B PHE A 2 ? -32.90292 10.61761 3.01963 0.437 8.06931 C ? A ? 1 CB 1
   ATOM 21 CG B PHE A 2 ? -31.62360 11.08759 3.77326 0.437 7.54961 C ? A ? 1 CG 1
   ATOM 22 CD1 B PHE A 2 ? -31.55989 10.98022 5.13440 0.437 6.20743 C ? A ? 1 CD1 1
   ATOM 23 CD2 B PHE A 2 ? -30.49555 11.57354 3.10129 0.437 7.59345 C ? A ? 1 CD2 1
   ATOM 24 CE1 B PHE A 2 ? -30.39687 11.32652 5.82607 0.437 7.46080 C ? A ? 1 CE1 1
   ATOM 25 CE2 B PHE A 2 ? -29.34782 11.94407 3.78159 0.437 7.85532 C ? A ? 1 CE2 1
   ATOM 26 CZ B PHE A 2 ? -29.29792 11.80885 5.16194 0.437 6.66145 C ? A ? 1 CZ 1
   ATOM 27 HB2 B PHE A 2 ? -32.74113 10.72350 2.06910 0.437 9.68317 H ? A ? 1 HB2 1
   ATOM 28 HB3 B PHE A 2 ? -33.63570 11.18938 3.29715 0.437 9.68317 H ? A ? 1 HB3 1
   ATOM 29 HD1 B PHE A 2 ? -32.30019 10.67274 5.60590 0.437 7.44891 H ? A ? 1 HD1 1
   ATOM 30 HD2 B PHE A 2 ? -30.51765 11.64939 2.17465 0.437 9.11214 H ? A ? 1 HD2 1
   ATOM 31 HE1 B PHE A 2 ? -30.36718 11.22864 6.75043 0.437 8.95296 H ? A ? 1 HE1 1
   ATOM 32 HE2 B PHE A 2 ? -28.61598 12.28097 3.31705 0.437 9.42639 H ? A ? 1 HE2 1
   ATOM 33 HZ B PHE A 2 ? -28.52928 12.04226 5.63057 0.437 7.99373 H ? A ? 1 HZ 1
   ATOM 34 N . ALA A 3 ? -35.61938 8.37388 3.21202 1.000 9.51099 N ? A ? 2 N 1
   ATOM 35 CA . ALA A 3 ? -36.80474 7.88902 2.51804 1.000 10.03494 C ? A ? 2 CA 1
   ATOM 36 C . ALA A 3 ? -37.39031 8.96104 1.62296 1.000 9.97469 C ? A ? 2 C 1
   ATOM 37 O . ALA A 3 ? -37.92879 8.63471 0.54514 1.000 13.16372 O ? A ? 2 O 1
   ATOM 38 CB . ALA A 3 ? -37.80762 7.36478 3.50706 1.000 15.36820 C ? A ? 2 CB 1
   ATOM 39 H . ALA A 3 ? -35.68773 8.41783 4.06817 1.000 11.41319 H ? A ? 2 H 1
   ATOM 40 HA . ALA A 3 ? -36.56067 7.14427 1.94648 1.000 12.04192 H ? A ? 2 HA 1
   ATOM 41 HB1 . ALA A 3 ? -38.58071 7.03056 3.02588 1.000 18.44184 H ? A ? 2 HB1 1
   ATOM 42 HB2 . ALA A 3 ? -37.40135 6.64800 4.01899 1.000 18.44184 H ? A ? 2 HB2 1
   ATOM 43 HB3 . ALA A 3 ? -38.07301 8.08531 4.09977 1.000 18.44184 H ? A ? 2 HB3 1
   ATOM 44 N . LYS A 4 ? -37.41016 10.23266 2.07809 1.000 10.57285 N ? A ? 3 N 1
   ATOM 45 CA . LYS A 4 ? -37.89849 11.40020 1.35833 1.000 10.56185 C ? A ? 3 CA 1
   ATOM 46 C . LYS A 4 ? -36.91856 12.53848 1.57812 1.000 9.85427 C ? A ? 3 C 1
   ATOM 47 O . LYS A 4 ? -36.15762 12.53920 2.56369 1.000 8.35871 O ? A ? 3 O 1
   ATOM 48 H . LYS A 4 ? -37.12198 10.44583 2.85982 1.000 12.68742 H ? A ? 3 H 1
   ATOM 49 HA . LYS A 4 ? -37.96062 11.20242 0.41074 1.000 12.67422 H ? A ? 3 HA 1
   ATOM 50 CB A LYS A 4 ? -39.27753 11.83442 1.88165 0.506 13.72387 C ? A ? 3 CB 1
   ATOM 51 CG A LYS A 4 ? -40.32035 10.71568 1.82737 0.506 14.86342 C ? A ? 3 CG 1
   ATOM 52 CD A LYS A 4 ? -41.65047 11.15021 2.42617 0.506 26.22206 C ? A ? 3 CD 1
   ATOM 53 CE A LYS A 4 ? -42.75669 10.11204 2.18846 0.506 32.28315 C ? A ? 3 CE 1
   ATOM 54 NZ A LYS A 4 ? -44.01906 10.43183 2.94184 0.506 34.42661 N ? A ? 3 NZ 1
   ATOM 55 HB2 A LYS A 4 ? -39.18871 12.11560 2.80574 0.506 16.46865 H ? A ? 3 HB2 1
   ATOM 56 HB3 A LYS A 4 ? -39.60132 12.57132 1.34031 0.506 16.46865 H ? A ? 3 HB3 1
   ATOM 57 HG2 A LYS A 4 ? -40.47177 10.46420 0.90285 0.506 17.83610 H ? A ? 3 HG2 1
   ATOM 58 HG3 A LYS A 4 ? -39.99655 9.95198 2.33016 0.506 17.83610 H ? A ? 3 HG3 1
   ATOM 59 HD2 A LYS A 4 ? -41.54640 11.26754 3.38341 0.506 31.46647 H ? A ? 3 HD2 1
   ATOM 60 HD3 A LYS A 4 ? -41.92671 11.98549 2.01764 0.506 31.46647 H ? A ? 3 HD3 1
   ATOM 61 HE2 A LYS A 4 ? -42.96948 10.08626 1.24244 0.506 38.73978 H ? A ? 3 HE2 1
   ATOM 62 HE3 A LYS A 4 ? -42.44361 9.24212 2.48192 0.506 38.73978 H ? A ? 3 HE3 1
   ATOM 63 HZ1 A LYS A 4 ? -44.50608 9.69433 3.04671 0.506 41.31193 H ? A ? 3 HZ1 1
   ATOM 64 HZ2 A LYS A 4 ? -43.81954 10.76264 3.74363 0.506 41.31193 H ? A ? 3 HZ2 1
   ATOM 65 HZ3 A LYS A 4 ? -44.49781 11.03264 2.49248 0.506 41.31193 H ? A ? 3 HZ3 1
   ATOM 66 CB B LYS A 4 ? -39.30575 11.81747 1.80892 0.494 13.66721 C ? A ? 3 CB 1
   ATOM 67 CG B LYS A 4 ? -40.36494 10.83592 1.29680 0.494 18.18892 C ? A ? 3 CG 1
   ATOM 68 CD B LYS A 4 ? -41.76899 11.20654 1.72233 0.494 25.75494 C ? A ? 3 CD 1
   ATOM 69 CE B LYS A 4 ? -42.80920 10.27649 1.07735 0.494 22.28312 C ? A ? 3 CE 1
   ATOM 70 NZ B LYS A 4 ? -42.45500 8.85387 1.19822 0.494 28.24438 N ? A ? 3 NZ 1
   ATOM 71 HB2 B LYS A 4 ? -39.34249 11.83066 2.77814 0.494 16.40065 H ? A ? 3 HB2 1
   ATOM 72 HB3 B LYS A 4 ? -39.50809 12.69854 1.45724 0.494 16.40065 H ? A ? 3 HB3 1
   ATOM 73 HG2 B LYS A 4 ? -40.34051 10.82278 0.32720 0.494 21.82670 H ? A ? 3 HG2 1
   ATOM 74 HG3 B LYS A 4 ? -40.17085 9.95185 1.64557 0.494 21.82670 H ? A ? 3 HG3 1
   ATOM 75 HD2 B LYS A 4 ? -41.84486 11.12886 2.68623 0.494 30.90593 H ? A ? 3 HD2 1
   ATOM 76 HD3 B LYS A 4 ? -41.95971 12.11682 1.44682 0.494 30.90593 H ? A ? 3 HD3 1
   ATOM 77 HE2 B LYS A 4 ? -43.66563 10.40993 1.51279 0.494 26.73974 H ? A ? 3 HE2 1
   ATOM 78 HE3 B LYS A 4 ? -42.88038 10.48824 0.13343 0.494 26.73974 H ? A ? 3 HE3 1
   ATOM 79 HZ1 B LYS A 4 ? -43.12670 8.34722 0.90800 0.494 33.89326 H ? A ? 3 HZ1 1
   ATOM 80 HZ2 B LYS A 4 ? -41.73010 8.67834 0.71263 0.494 33.89326 H ? A ? 3 HZ2 1
   ATOM 81 HZ3 B LYS A 4 ? -42.28833 8.65290 2.04906 0.494 33.89326 H ? A ? 3 HZ3 1
   ATOM 82 N . PRO A 5 ? -36.90348 13.52202 0.68135 1.000 9.89719 N ? A ? 4 N 1
   ATOM 83 CA . PRO A 5 ? -35.93540 14.62426 0.85935 1.000 9.86199 C ? A ? 4 CA 1
   ATOM 84 C . PRO A 5 ? -36.03585 15.33788 2.18626 1.000 9.11038 C ? A ? 4 C 1
   ATOM 85 O . PRO A 5 ? -35.00795 15.79071 2.73159 1.000 9.10849 O ? A ? 4 O 1
   ATOM 86 CB . PRO A 5 ? -36.23466 15.52692 -0.34258 1.000 14.72318 C ? A ? 4 CB 1
   ATOM 87 CG . PRO A 5 ? -36.95532 14.70600 -1.31743 1.000 15.97020 C ? A ? 4 CG 1
   ATOM 88 CD . PRO A 5 ? -37.57261 13.52519 -0.62948 1.000 10.58372 C ? A ? 4 CD 1
   ATOM 89 HA . PRO A 5 ? -35.02833 14.28960 0.78111 1.000 11.83439 H ? A ? 4 HA 1
   ATOM 90 HB2 . PRO A 5 ? -36.78173 16.27506 -0.05640 1.000 17.66782 H ? A ? 4 HB2 1
   ATOM 91 HB3 . PRO A 5 ? -35.40126 15.85023 -0.71916 1.000 17.66782 H ? A ? 4 HB3 1
   ATOM 92 HG2 . PRO A 5 ? -37.64819 15.24693 -1.72757 1.000 19.16424 H ? A ? 4 HG2 1
   ATOM 93 HG3 . PRO A 5 ? -36.32819 14.40260 -1.99238 1.000 19.16424 H ? A ? 4 HG3 1
   ATOM 94 HD2 . PRO A 5 ? -38.53017 13.64356 -0.52970 1.000 12.70047 H ? A ? 4 HD2 1
   ATOM 95 HD3 . PRO A 5 ? -37.38840 12.70579 -1.11481 1.000 12.70047 H ? A ? 4 HD3 1
   ATOM 96 N . GLU A 6 ? -37.22057 15.39587 2.81224 1.000 10.09806 N ? A ? 5 N 1
   ATOM 97 CA . GLU A 6 ? -37.31170 16.08462 4.10530 1.000 9.91781 C ? A ? 5 CA 1
   ATOM 98 C . GLU A 6 ? -36.46341 15.37619 5.15248 1.000 7.54736 C ? A ? 5 C 1
   ATOM 99 O . GLU A 6 ? -35.97755 16.00112 6.09264 1.000 8.50157 O ? A ? 5 O 1
   ATOM 100 CB . GLU A 6 ? -38.77802 16.17993 4.58105 1.000 10.43403 C ? A ? 5 CB 1
   ATOM 101 CG . GLU A 6 ? -38.95740 16.96367 5.82574 1.000 14.07450 C ? A ? 5 CG 1
   ATOM 102 CD . GLU A 6 ? -38.48772 18.45905 5.78291 1.000 12.07906 C ? A ? 5 CD 1
   ATOM 103 OE1 . GLU A 6 ? -38.35827 19.10809 4.76555 1.000 14.52916 O ? A ? 5 OE1 1
   ATOM 104 OE2 . GLU A 6 ? -38.20658 18.96908 6.93108 1.000 18.16340 O ? A ? 5 OE2 1
   ATOM 105 H . GLU A 6 ? -37.95602 15.05827 2.52114 1.000 12.11767 H ? A ? 5 H 1
   ATOM 106 HA . GLU A 6 ? -36.98787 16.99255 3.99713 1.000 11.90138 H ? A ? 5 HA 1
   ATOM 107 HB2 . GLU A 6 ? -39.30348 16.60576 3.88574 1.000 12.52084 H ? A ? 5 HB2 1
   ATOM 108 HB3 . GLU A 6 ? -39.11027 15.28367 4.74607 1.000 12.52084 H ? A ? 5 HB3 1
   ATOM 109 HG2 . GLU A 6 ? -39.90211 16.96878 6.04571 1.000 16.88940 H ? A ? 5 HG2 1
   ATOM 110 HG3 . GLU A 6 ? -38.45472 16.52810 6.53178 1.000 16.88940 H ? A ? 5 HG3 1
   ATOM 111 N . ASP A 7 ? -36.27983 14.04656 5.03998 1.000 7.72668 N ? A ? 6 N 1
   ATOM 112 CA . ASP A 7 ? -35.42667 13.36266 5.97141 1.000 6.33047 C ? A ? 6 CA 1
   ATOM 113 C . ASP A 7 ? -33.97198 13.82547 5.83988 1.000 6.12560 C ? A ? 6 C 1
   ATOM 114 O . ASP A 7 ? -33.23639 13.85025 6.85707 1.000 6.14168 O ? A ? 6 O 1
   ATOM 115 CB . ASP A 7 ? -35.54090 11.85153 5.77528 1.000 7.93931 C ? A ? 6 CB 1
   ATOM 116 CG . ASP A 7 ? -36.91984 11.33619 5.99464 1.000 8.45650 C ? A ? 6 CG 1
   ATOM 117 OD1 . ASP A 7 ? -37.49871 11.60884 7.06109 1.000 12.60779 O ? A ? 6 OD1 1
   ATOM 118 OD2 . ASP A 7 ? -37.51958 10.71473 5.07810 1.000 11.85449 O ? A ? 6 OD2 1
   ATOM 119 H . ASP A 7 ? -36.63838 13.54562 4.43990 1.000 9.27202 H ? A ? 6 H 1
   ATOM 120 HA . ASP A 7 ? -35.71815 13.56090 6.87509 1.000 7.59656 H ? A ? 6 HA 1
   ATOM 121 HB2 . ASP A 7 ? -35.28116 11.63158 4.86695 1.000 9.52718 H ? A ? 6 HB2 1
   ATOM 122 HB3 . ASP A 7 ? -34.95250 11.40705 6.40545 1.000 9.52718 H ? A ? 6 HB3 1
   ATOM 123 N A ALA A 8 ? -33.54539 14.18058 4.62654 0.327 6.11599 N ? A ? 7 N 1
   ATOM 124 CA A ALA A 8 ? -32.23373 14.79640 4.46847 0.327 5.96803 C ? A ? 7 CA 1
   ATOM 125 C A ALA A 8 ? -32.15545 16.12348 5.20969 0.327 5.79846 C ? A ? 7 C 1
   ATOM 126 O A ALA A 8 ? -31.16262 16.39957 5.89641 0.327 5.09893 O ? A ? 7 O 1
   ATOM 127 CB A ALA A 8 ? -31.87709 14.98007 2.98984 0.327 6.91118 C ? A ? 7 CB 1
   ATOM 128 H A ALA A 8 ? -33.98773 14.07732 3.89628 0.327 7.33919 H ? A ? 7 H 1
   ATOM 129 HA A ALA A 8 ? -31.57363 14.19456 4.84656 0.327 7.16163 H ? A ? 7 HA 1
   ATOM 130 HB1 A ALA A 8 ? -30.99820 15.38532 2.92495 0.327 8.29341 H ? A ? 7 HB1 1
   ATOM 131 HB2 A ALA A 8 ? -31.87430 14.11272 2.55557 0.327 8.29341 H ? A ? 7 HB2 1
   ATOM 132 HB3 A ALA A 8 ? -32.53825 15.55574 2.57466 0.327 8.29341 H ? A ? 7 HB3 1
   ATOM 133 N B ALA A 8 ? -33.49299 14.14987 4.62869 0.673 6.05942 N ? A ? 7 N 1
   ATOM 134 CA B ALA A 8 ? -32.13805 14.71056 4.47295 0.673 6.13908 C ? A ? 7 CA 1
   ATOM 135 C B ALA A 8 ? -31.98630 16.08987 5.11440 0.673 4.93368 C ? A ? 7 C 1
   ATOM 136 O B ALA A 8 ? -30.92602 16.47249 5.66209 0.673 5.43784 O ? A ? 7 O 1
   ATOM 137 CB B ALA A 8 ? -31.78892 14.83567 2.98585 0.673 6.88695 C ? A ? 7 CB 1
   ATOM 138 H B ALA A 8 ? -33.92435 14.05735 3.89047 0.673 7.27130 H ? A ? 7 H 1
   ATOM 139 HA B ALA A 8 ? -31.52436 14.09824 4.90810 0.673 7.36689 H ? A ? 7 HA 1
   ATOM 140 HB1 B ALA A 8 ? -30.87938 15.16204 2.90137 0.673 8.26433 H ? A ? 7 HB1 1
   ATOM 141 HB2 B ALA A 8 ? -31.86751 13.96356 2.56856 0.673 8.26433 H ? A ? 7 HB2 1
   ATOM 142 HB3 B ALA A 8 ? -32.40404 15.45876 2.56839 0.673 8.26433 H ? A ? 7 HB3 1
   ATOM 143 N A VAL A 9 ? -33.19462 16.96512 5.11185 0.327 6.44460 N ? A ? 8 N 1
   ATOM 144 CA A VAL A 9 ? -33.22392 18.23665 5.84988 0.327 6.48739 C ? A ? 8 CA 1
   ATOM 145 C A VAL A 9 ? -33.10175 17.98231 7.34371 0.327 5.86631 C ? A ? 8 C 1
   ATOM 146 O A VAL A 9 ? -32.25063 18.55859 8.04631 0.327 5.79876 O ? A ? 8 O 1
   ATOM 147 CB A VAL A 9 ? -34.51077 19.03333 5.54303 0.327 7.22652 C ? A ? 8 CB 1
   ATOM 148 CG1 A VAL A 9 ? -34.65060 20.22344 6.53033 0.327 5.29098 C ? A ? 8 CG1 1
   ATOM 149 CG2 A VAL A 9 ? -34.53756 19.51329 4.08439 0.327 8.70341 C ? A ? 8 CG2 1
   ATOM 150 H A VAL A 9 ? -33.89153 16.82485 4.62787 0.327 7.73353 H ? A ? 8 H 1
   ATOM 151 HA A VAL A 9 ? -32.46462 18.76342 5.55512 0.327 7.78487 H ? A ? 8 HA 1
   ATOM 152 HB A VAL A 9 ? -35.27537 18.44840 5.66200 0.327 8.67182 H ? A ? 8 HB 1
   ATOM 153 HG11 A VAL A 9 ? -35.26991 20.87095 6.15874 0.327 6.34918 H ? A ? 8 HG11 1
   ATOM 154 HG12 A VAL A 9 ? -34.98685 19.89275 7.37796 0.327 6.34918 H ? A ? 8 HG12 1
   ATOM 155 HG13 A VAL A 9 ? -33.78035 20.63282 6.65674 0.327 6.34918 H ? A ? 8 HG13 1
   ATOM 156 HG21 A VAL A 9 ? -35.37582 19.97223 3.91829 0.327 10.44409 H ? A ? 8 HG21 1
   ATOM 157 HG22 A VAL A 9 ? -33.79416 20.11882 3.93748 0.327 10.44409 H ? A ? 8 HG22 1
   ATOM 158 HG23 A VAL A 9 ? -34.45923 18.74488 3.49761 0.327 10.44409 H ? A ? 8 HG23 1
   ATOM 159 N B VAL A 9 ? -33.05911 16.89097 5.07288 0.673 6.21925 N ? A ? 8 N 1
   ATOM 160 CA B VAL A 9 ? -33.10073 18.22203 5.69671 0.673 6.86756 C ? A ? 8 CA 1
   ATOM 161 C B VAL A 9 ? -32.91922 18.07828 7.21749 0.673 6.23704 C ? A ? 8 C 1
   ATOM 162 O B VAL A 9 ? -32.10558 18.77823 7.83323 0.673 6.90027 O ? A ? 8 O 1
   ATOM 163 CB B VAL A 9 ? -34.41482 18.95694 5.34111 0.673 8.39914 C ? A ? 8 CB 1
   ATOM 164 CG1 B VAL A 9 ? -34.41541 20.29842 5.99175 0.673 8.27343 C ? A ? 8 CG1 1
   ATOM 165 CG2 B VAL A 9 ? -34.60448 19.18871 3.84710 0.673 7.96897 C ? A ? 8 CG2 1
   ATOM 166 H B VAL A 9 ? -33.79544 16.68345 4.68001 0.673 7.46310 H ? A ? 8 H 1
   ATOM 167 HA B VAL A 9 ? -32.37093 18.75723 5.34763 0.673 8.24107 H ? A ? 8 HA 1
   ATOM 168 HB B VAL A 9 ? -35.13780 18.38914 5.65063 0.673 10.07897 H ? A ? 8 HB 1
   ATOM 169 HG11 B VAL A 9 ? -35.16940 20.81025 5.65945 0.673 9.92812 H ? A ? 8 HG11 1
   ATOM 170 HG12 B VAL A 9 ? -34.49097 20.18365 6.95197 0.673 9.92812 H ? A ? 8 HG12 1
   ATOM 171 HG13 B VAL A 9 ? -33.58622 20.75379 5.77729 0.673 9.92812 H ? A ? 8 HG13 1
   ATOM 172 HG21 B VAL A 9 ? -35.37759 19.75865 3.71158 0.673 9.56277 H ? A ? 8 HG21 1
   ATOM 173 HG22 B VAL A 9 ? -33.81078 19.61765 3.49080 0.673 9.56277 H ? A ? 8 HG22 1
   ATOM 174 HG23 B VAL A 9 ? -34.74300 18.33393 3.41000 0.673 9.56277 H ? A ? 8 HG23 1
   ATOM 175 N A LYS A 10 ? -33.97098 17.13123 7.85955 0.327 5.99978 N ? A ? 9 N 1
   ATOM 176 CA A LYS A 10 ? -33.90889 16.90665 9.27570 0.327 7.21179 C ? A ? 9 CA 1
   ATOM 177 C A LYS A 10 ? -32.52527 16.41777 9.64449 0.327 5.97333 C ? A ? 9 C 1
   ATOM 178 O A LYS A 10 ? -31.94467 16.87239 10.63838 0.327 6.99570 O ? A ? 9 O 1
   ATOM 179 CB A LYS A 10 ? -34.98825 15.94480 9.73556 0.327 8.39690 C ? A ? 9 CB 1
   ATOM 180 CG A LYS A 10 ? -36.37803 16.55534 9.56041 0.327 10.27204 C ? A ? 9 CG 1
   ATOM 181 CD A LYS A 10 ? -36.56408 17.84896 10.34431 0.327 11.28924 C ? A ? 9 CD 1
   ATOM 182 CE A LYS A 10 ? -38.01565 18.30912 10.28040 0.327 15.95928 C ? A ? 9 CE 1
   ATOM 183 NZ A LYS A 10 ? -38.25139 19.44140 11.25477 0.327 12.46652 N ? A ? 9 NZ 1
   ATOM 184 H A LYS A 10 ? -34.57393 16.69599 7.42755 0.327 7.19974 H ? A ? 9 H 1
   ATOM 185 HA A LYS A 10 ? -34.08682 17.73698 9.74451 0.327 8.65415 H ? A ? 9 HA 1
   ATOM 186 HB2 A LYS A 10 ? -34.94091 15.13160 9.20890 0.327 10.07628 H ? A ? 9 HB2 1
   ATOM 187 HB3 A LYS A 10 ? -34.85843 15.73984 10.67472 0.327 10.07628 H ? A ? 9 HB3 1
   ATOM 188 HG2 A LYS A 10 ? -36.51989 16.75251 8.62132 0.327 12.32645 H ? A ? 9 HG2 1
   ATOM 189 HG3 A LYS A 10 ? -37.04279 15.92050 9.87022 0.327 12.32645 H ? A ? 9 HG3 1
   ATOM 190 HD2 A LYS A 10 ? -36.32704 17.70280 11.27348 0.327 13.54708 H ? A ? 9 HD2 1
   ATOM 191 HD3 A LYS A 10 ? -36.00307 18.54289 9.96402 0.327 13.54708 H ? A ? 9 HD3 1
   ATOM 192 HE2 A LYS A 10 ? -38.21851 18.62318 9.38535 0.327 19.15114 H ? A ? 9 HE2 1
   ATOM 193 HE3 A LYS A 10 ? -38.60141 17.57212 10.51410 0.327 19.15114 H ? A ? 9 HE3 1
   ATOM 194 HZ1 A LYS A 10 ? -39.10511 19.45405 11.50598 0.327 14.95982 H ? A ? 9 HZ1 1
   ATOM 195 HZ2 A LYS A 10 ? -37.73988 19.33449 11.97521 0.327 14.95982 H ? A ? 9 HZ2 1
   ATOM 196 HZ3 A LYS A 10 ? -38.05153 20.21939 10.87150 0.327 14.95982 H ? A ? 9 HZ3 1
   ATOM 197 N B LYS A 10 ? -33.67716 17.14553 7.85628 0.673 6.59328 N ? A ? 9 N 1
   ATOM 198 CA B LYS A 10 ? -33.60214 16.92424 9.31206 0.673 7.31286 C ? A ? 9 CA 1
   ATOM 199 C B LYS A 10 ? -32.22630 16.39858 9.73271 0.673 6.16609 C ? A ? 9 C 1
   ATOM 200 O B LYS A 10 ? -31.64329 16.83741 10.75598 0.673 5.64804 O ? A ? 9 O 1
   ATOM 201 CB B LYS A 10 ? -34.71056 15.94153 9.77482 0.673 8.65989 C ? A ? 9 CB 1
   ATOM 202 CG B LYS A 10 ? -36.14231 16.50737 9.70649 0.673 10.93887 C ? A ? 9 CG 1
   ATOM 203 CD B LYS A 10 ? -37.19174 15.38641 9.84614 0.673 22.48169 C ? A ? 9 CD 1
   ATOM 204 CE B LYS A 10 ? -38.59144 15.99915 9.83372 0.673 32.16358 C ? A ? 9 CE 1
   ATOM 205 NZ B LYS A 10 ? -39.67187 14.97142 9.83047 0.673 23.86855 N ? A ? 9 NZ 1
   ATOM 206 H B LYS A 10 ? -34.24175 16.63036 7.46203 0.673 7.91194 H ? A ? 9 H 1
   ATOM 207 HA B LYS A 10 ? -33.75123 17.77609 9.75140 0.673 8.77543 H ? A ? 9 HA 1
   ATOM 208 HB2 B LYS A 10 ? -34.68027 15.15428 9.20894 0.673 10.39187 H ? A ? 9 HB2 1
   ATOM 209 HB3 B LYS A 10 ? -34.53787 15.69427 10.69674 0.673 10.39187 H ? A ? 9 HB3 1
   ATOM 210 HG2 B LYS A 10 ? -36.27339 17.14123 10.42893 0.673 13.12664 H ? A ? 9 HG2 1
   ATOM 211 HG3 B LYS A 10 ? -36.27513 16.94637 8.85177 0.673 13.12664 H ? A ? 9 HG3 1
   ATOM 212 HD2 B LYS A 10 ? -37.11347 14.76741 9.10343 0.673 26.97803 H ? A ? 9 HD2 1
   ATOM 213 HD3 B LYS A 10 ? -37.06225 14.91646 10.68475 0.673 26.97803 H ? A ? 9 HD3 1
   ATOM 214 HE2 B LYS A 10 ? -38.70307 16.54866 10.62522 0.673 38.59629 H ? A ? 9 HE2 1
   ATOM 215 HE3 B LYS A 10 ? -38.69191 16.54196 9.03612 0.673 38.59629 H ? A ? 9 HE3 1
   ATOM 216 HZ1 B LYS A 10 ? -40.46856 15.36738 9.80595 0.673 28.64226 H ? A ? 9 HZ1 1
   ATOM 217 HZ2 B LYS A 10 ? -39.58897 14.44487 9.11774 0.673 28.64226 H ? A ? 9 HZ2 1
   ATOM 218 HZ3 B LYS A 10 ? -39.61973 14.47262 10.56571 0.673 28.64226 H ? A ? 9 HZ3 1
   ATOM 219 N A TYR A 11 ? -31.95247 15.51659 8.84282 0.327 4.86792 N ? A ? 10 N 1
   ATOM 220 CA A TYR A 11 ? -30.65292 14.94397 9.16903 0.327 4.95825 C ? A ? 10 CA 1
   ATOM 221 C A TYR A 11 ? -29.58852 16.01857 9.21053 0.327 4.88693 C ? A ? 10 C 1
   ATOM 222 O A TYR A 11 ? -28.84145 16.12894 10.19587 0.327 4.33134 O ? A ? 10 O 1
   ATOM 223 CB A TYR A 11 ? -30.28097 13.86708 8.15194 0.327 5.11985 C ? A ? 10 CB 1
   ATOM 224 CG A TYR A 11 ? -28.91568 13.26237 8.41650 0.327 4.37510 C ? A ? 10 CG 1
   ATOM 225 CD1 A TYR A 11 ? -27.78690 13.88158 7.92190 0.327 4.59552 C ? A ? 10 CD1 1
   ATOM 226 CD2 A TYR A 11 ? -28.73680 12.05555 9.13347 0.327 4.84779 C ? A ? 10 CD2 1
   ATOM 227 CE1 A TYR A 11 ? -26.49498 13.34249 8.13377 0.327 5.90694 C ? A ? 10 CE1 1
   ATOM 228 CE2 A TYR A 11 ? -27.45204 11.50894 9.32851 0.327 5.27393 C ? A ? 10 CE2 1
   ATOM 229 CZ A TYR A 11 ? -26.33676 12.14938 8.83712 0.327 5.24387 C ? A ? 10 CZ 1
   ATOM 230 OH A TYR A 11 ? -25.06993 11.66034 9.04258 0.327 6.39916 O ? A ? 10 OH 1
   ATOM 231 H A TYR A 11 ? -32.29520 15.22401 8.11034 0.327 5.84150 H ? A ? 10 H 1
   ATOM 232 HA A TYR A 11 ? -30.70581 14.52707 10.04327 0.327 5.94990 H ? A ? 10 HA 1
   ATOM 233 HB2 A TYR A 11 ? -30.93830 13.15482 8.19070 0.327 6.14381 H ? A ? 10 HB2 1
   ATOM 234 HB3 A TYR A 11 ? -30.26945 14.25999 7.26515 0.327 6.14381 H ? A ? 10 HB3 1
   ATOM 235 HD1 A TYR A 11 ? -27.87639 14.67093 7.43835 0.327 5.51462 H ? A ? 10 HD1 1
   ATOM 236 HD2 A TYR A 11 ? -29.47872 11.61593 9.48160 0.327 5.81734 H ? A ? 10 HD2 1
   ATOM 237 HE1 A TYR A 11 ? -25.74822 13.78658 7.80206 0.327 7.08833 H ? A ? 10 HE1 1
   ATOM 238 HE2 A TYR A 11 ? -27.35706 10.70890 9.79307 0.327 6.32871 H ? A ? 10 HE2 1
   ATOM 239 HH A TYR A 11 ? -24.52144 12.06973 8.55558 0.327 7.67899 H ? A ? 10 HH 1
   ATOM 240 N B TYR A 11 ? -31.65708 15.51286 8.90878 0.673 5.65914 N ? A ? 10 N 1
   ATOM 241 CA B TYR A 11 ? -30.31720 14.98494 9.18748 0.673 5.28178 C ? A ? 10 CA 1
   ATOM 242 C B TYR A 11 ? -29.24494 16.08755 9.14145 0.673 4.87055 C ? A ? 10 C 1
   ATOM 243 O B TYR A 11 ? -28.41122 16.21935 10.05150 0.673 4.78807 O ? A ? 10 O 1
   ATOM 244 CB B TYR A 11 ? -29.98270 13.87516 8.18986 0.673 5.42025 C ? A ? 10 CB 1
   ATOM 245 CG B TYR A 11 ? -28.57385 13.28152 8.30213 0.673 5.09027 C ? A ? 10 CG 1
   ATOM 246 CD1 B TYR A 11 ? -27.46253 13.94351 7.76204 0.673 5.34019 C ? A ? 10 CD1 1
   ATOM 247 CD2 B TYR A 11 ? -28.36797 12.05435 8.95335 0.673 5.39401 C ? A ? 10 CD2 1
   ATOM 248 CE1 B TYR A 11 ? -26.21922 13.41362 7.84218 0.673 5.85837 C ? A ? 10 CE1 1
   ATOM 249 CE2 B TYR A 11 ? -27.11906 11.46543 9.01488 0.673 5.37843 C ? A ? 10 CE2 1
   ATOM 250 CZ B TYR A 11 ? -26.02993 12.16221 8.52949 0.673 5.76954 C ? A ? 10 CZ 1
   ATOM 251 OH B TYR A 11 ? -24.76185 11.66170 8.58676 0.673 5.34060 O ? A ? 10 OH 1
   ATOM 252 H B TYR A 11 ? -32.01935 15.20535 8.19198 0.673 6.79097 H ? A ? 10 H 1
   ATOM 253 HA B TYR A 11 ? -30.31615 14.61166 10.08278 0.673 6.33813 H ? A ? 10 HA 1
   ATOM 254 HB2 B TYR A 11 ? -30.61210 13.14876 8.32065 0.673 6.50430 H ? A ? 10 HB2 1
   ATOM 255 HB3 B TYR A 11 ? -30.07267 14.23472 7.29347 0.673 6.50430 H ? A ? 10 HB3 1
   ATOM 256 HD1 B TYR A 11 ? -27.58173 14.76360 7.33996 0.673 6.40823 H ? A ? 10 HD1 1
   ATOM 257 HD2 B TYR A 11 ? -29.09058 11.62699 9.35348 0.673 6.47281 H ? A ? 10 HD2 1
   ATOM 258 HE1 B TYR A 11 ? -25.49532 13.85291 7.45761 0.673 7.03004 H ? A ? 10 HE1 1
   ATOM 259 HE2 B TYR A 11 ? -27.01402 10.61516 9.37668 0.673 6.45412 H ? A ? 10 HE2 1
   ATOM 260 HH B TYR A 11 ? -24.24307 12.14079 8.13186 0.673 6.40872 H ? A ? 10 HH 1
   ATOM 261 N A ARG A 12 ? -29.52385 16.85213 8.16880 0.327 4.64560 N ? A ? 11 N 1
   ATOM 262 CA A ARG A 12 ? -28.36432 17.74244 8.03616 0.327 4.95077 C ? A ? 11 CA 1
   ATOM 263 C A ARG A 12 ? -28.38714 18.89801 9.03952 0.327 5.50235 C ? A ? 11 C 1
   ATOM 264 O A ARG A 12 ? -27.32087 19.38645 9.49889 0.327 6.18642 O ? A ? 11 O 1
   ATOM 265 CB A ARG A 12 ? -28.20328 18.26405 6.60585 0.327 4.68922 C ? A ? 11 CB 1
   ATOM 266 CG A ARG A 12 ? -29.21321 19.35822 6.11635 0.327 5.89563 C ? A ? 11 CG 1
   ATOM 267 CD A ARG A 12 ? -29.27923 19.45318 4.59059 0.327 4.77919 C ? A ? 11 CD 1
   ATOM 268 NE A ARG A 12 ? -30.20771 20.48937 4.17193 0.327 4.06390 N ? A ? 11 NE 1
   ATOM 269 CZ A ARG A 12 ? -30.79612 20.46837 2.98995 0.327 4.20999 C ? A ? 11 CZ 1
   ATOM 270 NH1 A ARG A 12 ? -30.54545 19.49535 2.14770 0.327 5.75531 N ? A ? 11 NH1 1
   ATOM 271 NH2 A ARG A 12 ? -31.65551 21.43996 2.64592 0.327 5.25049 N ? A ? 11 NH2 1
   ATOM 272 H A ARG A 12 ? -30.11445 16.92079 7.54745 0.327 5.57471 H ? A ? 11 H 1
   ATOM 273 HA A ARG A 12 ? -27.57730 17.20819 8.22609 0.327 5.94092 H ? A ? 11 HA 1
   ATOM 274 HB2 A ARG A 12 ? -27.31563 18.64723 6.52747 0.327 5.62707 H ? A ? 11 HB2 1
   ATOM 275 HB3 A ARG A 12 ? -28.29350 17.50983 6.00259 0.327 5.62707 H ? A ? 11 HB3 1
   ATOM 276 HG2 A ARG A 12 ? -30.10029 19.14028 6.44269 0.327 7.07476 H ? A ? 11 HG2 1
   ATOM 277 HG3 A ARG A 12 ? -28.93639 20.22217 6.45966 0.327 7.07476 H ? A ? 11 HG3 1
   ATOM 278 HD2 A ARG A 12 ? -28.40019 19.66969 4.24229 0.327 5.73503 H ? A ? 11 HD2 1
   ATOM 279 HD3 A ARG A 12 ? -29.58062 18.60584 4.22715 0.327 5.73503 H ? A ? 11 HD3 1
   ATOM 280 HE A ARG A 12 ? -30.37954 21.13699 4.71107 0.327 4.87668 H ? A ? 11 HE 1
   ATOM 281 HH11 A ARG A 12 ? -29.99705 18.86942 2.36465 0.327 6.90637 H ? A ? 11 HH11 1
   ATOM 282 HH12 A ARG A 12 ? -30.92943 19.48303 1.37828 0.327 6.90637 H ? A ? 11 HH12 1
   ATOM 283 HH21 A ARG A 12 ? -31.82462 22.07907 3.19596 0.327 6.30059 H ? A ? 11 HH21 1
   ATOM 284 HH22 A ARG A 12 ? -32.03713 21.42350 1.87541 0.327 6.30059 H ? A ? 11 HH22 1
   ATOM 285 N B ARG A 12 ? -29.24014 16.88393 8.05384 0.673 5.11461 N ? A ? 11 N 1
   ATOM 286 CA B ARG A 12 ? -28.19682 17.89566 7.94712 0.673 5.48933 C ? A ? 11 CA 1
   ATOM 287 C B ARG A 12 ? -28.35407 18.95257 9.03147 0.673 5.54184 C ? A ? 11 C 1
   ATOM 288 O B ARG A 12 ? -27.34894 19.42446 9.58811 0.673 6.19538 O ? A ? 11 O 1
   ATOM 289 CB B ARG A 12 ? -28.11711 18.54431 6.56764 0.673 5.23598 C ? A ? 11 CB 1
   ATOM 290 CG B ARG A 12 ? -29.31257 19.38670 6.11723 0.673 5.93317 C ? A ? 11 CG 1
   ATOM 291 CD B ARG A 12 ? -29.53472 19.21051 4.62967 0.673 5.33832 C ? A ? 11 CD 1
   ATOM 292 NE B ARG A 12 ? -30.55211 20.14097 4.12426 0.673 5.55830 N ? A ? 11 NE 1
   ATOM 293 CZ B ARG A 12 ? -31.08694 20.04659 2.90580 0.673 6.15251 C ? A ? 11 CZ 1
   ATOM 294 NH1 B ARG A 12 ? -30.80492 19.04403 2.10308 0.673 6.28466 N ? A ? 11 NH1 1
   ATOM 295 NH2 B ARG A 12 ? -31.94331 21.00972 2.49992 0.673 6.88514 N ? A ? 11 NH2 1
   ATOM 296 H B ARG A 12 ? -29.80299 16.85307 7.40434 0.673 6.13753 H ? A ? 11 H 1
   ATOM 297 HA B ARG A 12 ? -27.35010 17.43670 8.06259 0.673 6.58719 H ? A ? 11 HA 1
   ATOM 298 HB2 B ARG A 12 ? -27.34252 19.12810 6.55733 0.673 6.28318 H ? A ? 11 HB2 1
   ATOM 299 HB3 B ARG A 12 ? -28.00870 17.83766 5.91205 0.673 6.28318 H ? A ? 11 HB3 1
   ATOM 300 HG2 B ARG A 12 ? -30.11097 19.10021 6.58773 0.673 7.11981 H ? A ? 11 HG2 1
   ATOM 301 HG3 B ARG A 12 ? -29.13943 20.32390 6.29772 0.673 7.11981 H ? A ? 11 HG3 1
   ATOM 302 HD2 B ARG A 12 ? -28.70419 19.38104 4.15846 0.673 6.40599 H ? A ? 11 HD2 1
   ATOM 303 HD3 B ARG A 12 ? -29.83547 18.30504 4.45484 0.673 6.40599 H ? A ? 11 HD3 1
   ATOM 304 HE B ARG A 12 ? -30.81595 20.77762 4.63871 0.673 6.66996 H ? A ? 11 HE 1
   ATOM 305 HH11 B ARG A 12 ? -30.26304 18.42734 2.35932 0.673 7.54159 H ? A ? 11 HH11 1
   ATOM 306 HH12 B ARG A 12 ? -31.16234 19.00502 1.32185 0.673 7.54159 H ? A ? 11 HH12 1
   ATOM 307 HH21 B ARG A 12 ? -32.13278 21.66515 3.02349 0.673 8.26216 H ? A ? 11 HH21 1
   ATOM 308 HH22 B ARG A 12 ? -32.29890 20.96731 1.71803 0.673 8.26216 H ? A ? 11 HH22 1
   ATOM 309 N . GLN A 13 ? -29.58845 19.34524 9.40801 1.000 5.20769 N ? A ? 12 N 1
   ATOM 310 CA . GLN A 13 ? -29.75111 20.32293 10.48535 1.000 6.31759 C ? A ? 12 CA 1
   ATOM 311 C . GLN A 13 ? -29.18855 19.74649 11.78631 1.000 5.85383 C ? A ? 12 C 1
   ATOM 312 O . GLN A 13 ? -28.49750 20.45426 12.57017 1.000 6.85486 O ? A ? 12 O 1
   ATOM 313 CB . GLN A 13 ? -31.22790 20.69362 10.65812 1.000 7.79508 C ? A ? 12 CB 1
   ATOM 314 CG . GLN A 13 ? -31.78922 21.51221 9.51072 1.000 7.98933 C ? A ? 12 CG 1
   ATOM 315 CD . GLN A 13 ? -33.27802 21.74220 9.57871 1.000 11.92912 C ? A ? 12 CD 1
   ATOM 316 OE1 . GLN A 13 ? -34.00097 21.15042 10.35551 1.000 16.76087 O ? A ? 12 OE1 1
   ATOM 317 NE2 . GLN A 13 ? -33.77789 22.58678 8.68258 1.000 13.19464 N ? A ? 12 NE2 1
   ATOM 318 HA . GLN A 13 ? -29.27581 21.13790 10.25991 1.000 7.58111 H ? A ? 12 HA 1
   ATOM 319 HB2 . GLN A 13 ? -31.74883 19.87795 10.72298 1.000 9.35409 H ? A ? 12 HB2 1
   ATOM 320 HB3 . GLN A 13 ? -31.32577 21.21523 11.47006 1.000 9.35409 H ? A ? 12 HB3 1
   ATOM 321 HG2 . GLN A 13 ? -31.35838 22.38127 9.51050 1.000 9.58719 H ? A ? 12 HG2 1
   ATOM 322 HG3 . GLN A 13 ? -31.60216 21.04897 8.67926 1.000 9.58719 H ? A ? 12 HG3 1
   ATOM 323 HE21 . GLN A 13 ? -33.25819 22.96422 8.11070 1.000 15.83356 H ? A ? 12 HE21 1
   ATOM 324 HE22 . GLN A 13 ? -34.62107 22.75588 8.67457 1.000 15.83356 H ? A ? 12 HE22 1
   ATOM 325 H A GLN A 13 ? -30.32996 19.09806 9.04929 0.327 6.24923 H ? A ? 12 H 1
   ATOM 326 H B GLN A 13 ? -30.32368 19.06459 9.06119 0.673 6.24923 H ? A ? 12 H 1
   ATOM 327 N . SER A 14 ? -29.45754 18.48632 12.06936 1.000 5.71024 N ? A ? 13 N 1
   ATOM 328 CA . SER A 14 ? -28.91145 17.85032 13.28186 1.000 5.98883 C ? A ? 13 CA 1
   ATOM 329 C . SER A 14 ? -27.40504 17.72209 13.22381 1.000 5.31731 C ? A ? 13 C 1
   ATOM 330 O . SER A 14 ? -26.74162 17.94959 14.27077 1.000 6.30203 O ? A ? 13 O 1
   ATOM 331 CB . SER A 14 ? -29.55051 16.47705 13.45132 1.000 7.05688 C ? A ? 13 CB 1
   ATOM 332 OG . SER A 14 ? -30.88592 16.57595 13.88241 1.000 14.23066 O ? A ? 13 OG 1
   ATOM 333 H . SER A 14 ? -29.94853 17.96953 11.58825 1.000 6.85229 H ? A ? 13 H 1
   ATOM 334 HA . SER A 14 ? -29.12682 18.40151 14.05043 1.000 7.18659 H ? A ? 13 HA 1
   ATOM 335 HB2 . SER A 14 ? -29.53079 16.01570 12.59828 1.000 8.46826 H ? A ? 13 HB2 1
   ATOM 336 HB3 . SER A 14 ? -29.04537 15.97647 14.11098 1.000 8.46826 H ? A ? 13 HB3 1
   ATOM 337 HG . SER A 14 ? -31.40256 16.57353 13.22008 1.000 17.07679 H ? A ? 13 HG 1
   ATOM 338 N A ALA A 15 ? -26.75655 17.50145 12.02818 0.285 4.01251 N ? A ? 14 N 1
   ATOM 339 CA A ALA A 15 ? -25.28277 17.43487 11.92729 0.285 4.04628 C ? A ? 14 CA 1
   ATOM 340 C A ALA A 15 ? -24.63881 18.81076 12.11983 0.285 4.24750 C ? A ? 14 C 1
   ATOM 341 O A ALA A 15 ? -23.58302 18.96527 12.77946 0.285 3.03643 O ? A ? 14 O 1
   ATOM 342 CB A ALA A 15 ? -24.96205 16.77470 10.56930 0.285 7.41817 C ? A ? 14 CB 1
   ATOM 343 H A ALA A 15 ? -27.15640 17.38978 11.27502 0.285 4.81501 H ? A ? 14 H 1
   ATOM 344 HA A ALA A 15 ? -24.89302 16.89029 12.62902 0.285 4.85554 H ? A ? 14 HA 1
   ATOM 345 HB1 A ALA A 15 ? -24.00031 16.68375 10.48169 0.285 8.90180 H ? A ? 14 HB1 1
   ATOM 346 HB2 A ALA A 15 ? -25.38135 15.90064 10.53622 0.285 8.90180 H ? A ? 14 HB2 1
   ATOM 347 HB3 A ALA A 15 ? -25.30765 17.33456 9.85655 0.285 8.90180 H ? A ? 14 HB3 1
   ATOM 348 N B ALA A 15 ? -26.90630 17.23698 12.09418 0.715 6.59467 N ? A ? 14 N 1
   ATOM 349 CA B ALA A 15 ? -25.48340 17.10257 11.96591 0.715 7.00639 C ? A ? 14 CA 1
   ATOM 350 C B ALA A 15 ? -24.78247 18.40307 12.25392 0.715 7.22895 C ? A ? 14 C 1
   ATOM 351 O B ALA A 15 ? -23.77496 18.41309 12.98491 0.715 7.84260 O ? A ? 14 O 1
   ATOM 352 CB B ALA A 15 ? -25.10899 16.62735 10.55576 0.715 8.16524 C ? A ? 14 CB 1
   ATOM 353 H B ALA A 15 ? -27.36564 16.98783 11.41115 0.715 7.91361 H ? A ? 14 H 1
   ATOM 354 HA B ALA A 15 ? -25.19143 16.43557 12.60681 0.715 8.40767 H ? A ? 14 HA 1
   ATOM 355 HB1 B ALA A 15 ? -24.14322 16.56596 10.48924 0.715 9.79828 H ? A ? 14 HB1 1
   ATOM 356 HB2 B ALA A 15 ? -25.50730 15.75678 10.39974 0.715 9.79828 H ? A ? 14 HB2 1
   ATOM 357 HB3 B ALA A 15 ? -25.44526 17.26592 9.90764 0.715 9.79828 H ? A ? 14 HB3 1
   ATOM 358 N A LEU A 16 ? -25.25002 19.82418 11.58092 0.285 4.98201 N ? A ? 15 N 1
   ATOM 359 CA A LEU A 16 ? -24.67251 21.11339 11.81379 0.285 6.80957 C ? A ? 15 CA 1
   ATOM 360 C A LEU A 16 ? -24.84874 21.60317 13.24376 0.285 6.26796 C ? A ? 15 C 1
   ATOM 361 O A LEU A 16 ? -23.97611 22.39777 13.73319 0.285 4.39011 O ? A ? 15 O 1
   ATOM 362 CB A LEU A 16 ? -25.30555 22.04595 10.84565 0.285 7.09053 C ? A ? 15 CB 1
   ATOM 363 CG A LEU A 16 ? -24.84080 21.60666 9.46565 0.285 5.92181 C ? A ? 15 CG 1
   ATOM 364 CD1 A LEU A 16 ? -25.70562 22.39814 8.59305 0.285 6.26358 C ? A ? 15 CD1 1
   ATOM 365 CD2 A LEU A 16 ? -23.38373 21.90306 9.24533 0.285 5.85480 C ? A ? 15 CD2 1
   ATOM 366 H A LEU A 16 ? -25.96313 19.79630 11.10102 0.285 5.97842 H ? A ? 15 H 1
   ATOM 367 HA A LEU A 16 ? -23.71316 21.08057 11.67425 0.285 8.17148 H ? A ? 15 HA 1
   ATOM 368 HB2 A LEU A 16 ? -26.27226 21.98762 10.90004 0.285 8.50864 H ? A ? 15 HB2 1
   ATOM 369 HB3 A LEU A 16 ? -25.01817 22.95701 11.01379 0.285 8.50864 H ? A ? 15 HB3 1
   ATOM 370 HG A LEU A 16 ? -24.90464 20.65210 9.30549 0.285 7.10617 H ? A ? 15 HG 1
   ATOM 371 HD11 A LEU A 16 ? -25.27553 22.49913 7.72950 0.285 7.51630 H ? A ? 15 HD11 1
   ATOM 372 HD12 A LEU A 16 ? -26.55378 21.93924 8.48850 0.285 7.51630 H ? A ? 15 HD12 1
   ATOM 373 HD13 A LEU A 16 ? -25.84818 23.26914 8.99546 0.285 7.51630 H ? A ? 15 HD13 1
   ATOM 374 HD21 A LEU A 16 ? -23.18796 21.83774 8.29754 0.285 7.02575 H ? A ? 15 HD21 1
   ATOM 375 HD22 A LEU A 16 ? -23.19258 22.79993 9.56153 0.285 7.02575 H ? A ? 15 HD22 1
   ATOM 376 HD23 A LEU A 16 ? -22.85228 21.25833 9.73806 0.285 7.02575 H ? A ? 15 HD23 1
   ATOM 377 N B LEU A 16 ? -25.26424 19.52877 11.67152 0.715 7.48614 N ? A ? 15 N 1
   ATOM 378 CA B LEU A 16 ? -24.71739 20.87480 11.84983 0.715 7.02973 C ? A ? 15 CA 1
   ATOM 379 C B LEU A 16 ? -24.79524 21.32686 13.30573 0.715 6.74027 C ? A ? 15 C 1
   ATOM 380 O B LEU A 16 ? -23.81060 21.83819 13.88859 0.715 6.40900 O ? A ? 15 O 1
   ATOM 381 CB B LEU A 16 ? -25.41928 21.89445 10.92685 0.715 6.86507 C ? A ? 15 CB 1
   ATOM 382 CG B LEU A 16 ? -25.23884 21.83809 9.38441 0.715 7.29428 C ? A ? 15 CG 1
   ATOM 383 CD1 B LEU A 16 ? -26.29465 22.68015 8.54674 0.715 8.64818 C ? A ? 15 CD1 1
   ATOM 384 CD2 B LEU A 16 ? -23.85581 22.20350 8.96800 0.715 8.09738 C ? A ? 15 CD2 1
   ATOM 385 H B LEU A 16 ? -25.94259 19.52988 11.14291 0.715 8.98336 H ? A ? 15 H 1
   ATOM 386 HA B LEU A 16 ? -23.78302 20.84782 11.59076 0.715 8.43568 H ? A ? 15 HA 1
   ATOM 387 HB2 B LEU A 16 ? -26.37243 21.80900 11.08530 0.715 8.23809 H ? A ? 15 HB2 1
   ATOM 388 HB3 B LEU A 16 ? -25.11570 22.77521 11.19702 0.715 8.23809 H ? A ? 15 HB3 1
   ATOM 389 HG B LEU A 16 ? -25.40657 20.90941 9.16009 0.715 8.75313 H ? A ? 15 HG 1
   ATOM 390 HD11 B LEU A 16 ? -26.12540 22.54743 7.60088 0.715 10.37781 H ? A ? 15 HD11 1
   ATOM 391 HD12 B LEU A 16 ? -27.18861 22.37604 8.76867 0.715 10.37781 H ? A ? 15 HD12 1
   ATOM 392 HD13 B LEU A 16 ? -26.19936 23.61898 8.77127 0.715 10.37781 H ? A ? 15 HD13 1
   ATOM 393 HD21 B LEU A 16 ? -23.77343 22.08608 8.00867 0.715 9.71685 H ? A ? 15 HD21 1
   ATOM 394 HD22 B LEU A 16 ? -23.68946 23.12969 9.20338 0.715 9.71685 H ? A ? 15 HD22 1
   ATOM 395 HD23 B LEU A 16 ? -23.22507 21.62710 9.42717 0.715 9.71685 H ? A ? 15 HD23 1
   ATOM 396 N . THR A 17 ? -25.93769 21.12912 13.93395 1.000 6.36332 N ? A ? 16 N 1
   ATOM 397 CA . THR A 17 ? -26.11040 21.48796 15.33453 1.000 6.81667 C ? A ? 16 CA 1
   ATOM 398 C . THR A 17 ? -25.03734 20.79282 16.17187 1.000 7.16890 C ? A ? 16 C 1
   ATOM 399 O . THR A 17 ? -24.43045 21.42200 17.09567 1.000 8.21399 O ? A ? 16 O 1
   ATOM 400 CB . THR A 17 ? -27.52592 21.11935 15.79530 1.000 6.91153 C ? A ? 16 CB 1
   ATOM 401 OG1 . THR A 17 ? -28.45266 21.90392 15.11408 1.000 8.59050 O ? A ? 16 OG1 1
   ATOM 402 CG2 . THR A 17 ? -27.70695 21.28308 17.28311 1.000 7.95241 C ? A ? 16 CG2 1
   ATOM 403 HA . THR A 17 ? -26.01817 22.44601 15.45507 1.000 8.18000 H ? A ? 16 HA 1
   ATOM 404 HB . THR A 17 ? -27.68054 20.18199 15.59947 1.000 8.29384 H ? A ? 16 HB 1
   ATOM 405 HG1 . THR A 17 ? -28.24873 21.94815 14.30041 1.000 10.30861 H ? A ? 16 HG1 1
   ATOM 406 HG21 . THR A 17 ? -28.65087 21.26849 17.50606 1.000 9.54289 H ? A ? 16 HG21 1
   ATOM 407 HG22 . THR A 17 ? -27.26132 20.56092 17.75300 1.000 9.54289 H ? A ? 16 HG22 1
   ATOM 408 HG23 . THR A 17 ? -27.32818 22.12790 17.57243 1.000 9.54289 H ? A ? 16 HG23 1
   ATOM 409 H A THR A 17 ? -26.55075 20.62191 13.60759 0.285 7.63599 H ? A ? 16 H 1
   ATOM 410 H B THR A 17 ? -26.63859 20.78556 13.57295 0.715 7.63599 H ? A ? 16 H 1
   ATOM 411 N . LEU A 18 ? -24.81664 19.48548 15.95210 1.000 7.91208 N ? A ? 17 N 1
   ATOM 412 CA . LEU A 18 ? -23.82864 18.74061 16.74966 1.000 9.42199 C ? A ? 17 CA 1
   ATOM 413 C . LEU A 18 ? -22.43040 19.23759 16.44818 1.000 9.93273 C ? A ? 17 C 1
   ATOM 414 O . LEU A 18 ? -21.59715 19.37860 17.42401 1.000 9.60204 O ? A ? 17 O 1
   ATOM 415 H . LEU A 18 ? -25.21968 19.01405 15.35635 1.000 9.49450 H ? A ? 17 H 1
   ATOM 416 HA . LEU A 18 ? -23.98717 18.89316 17.69438 1.000 11.30639 H ? A ? 17 HA 1
   ATOM 417 CB A LEU A 18 ? -23.81657 17.29759 16.43936 0.480 10.24105 C ? A ? 17 CB 1
   ATOM 418 CG A LEU A 18 ? -25.10015 16.57217 16.80351 0.480 8.45307 C ? A ? 17 CG 1
   ATOM 419 CD1 A LEU A 18 ? -24.84991 15.05773 16.67861 0.480 17.65262 C ? A ? 17 CD1 1
   ATOM 420 CD2 A LEU A 18 ? -25.62826 17.03151 18.15026 0.480 11.71612 C ? A ? 17 CD2 1
   ATOM 421 HB2 A LEU A 18 ? -23.67563 17.18718 15.48603 0.480 12.28926 H ? A ? 17 HB2 1
   ATOM 422 HB3 A LEU A 18 ? -23.09235 16.88108 16.93224 0.480 12.28926 H ? A ? 17 HB3 1
   ATOM 423 HG A LEU A 18 ? -25.82313 16.78658 16.19340 0.480 10.14368 H ? A ? 17 HG 1
   ATOM 424 HD11 A LEU A 18 ? -25.70354 14.59815 16.64692 0.480 21.18314 H ? A ? 17 HD11 1
   ATOM 425 HD12 A LEU A 18 ? -24.35142 14.88611 15.86439 0.480 21.18314 H ? A ? 17 HD12 1
   ATOM 426 HD13 A LEU A 18 ? -24.34083 14.75728 17.44768 0.480 21.18314 H ? A ? 17 HD13 1
   ATOM 427 HD21 A LEU A 18 ? -26.32665 16.42371 18.43960 0.480 14.05935 H ? A ? 17 HD21 1
   ATOM 428 HD22 A LEU A 18 ? -24.90098 17.02928 18.79211 0.480 14.05935 H ? A ? 17 HD22 1
   ATOM 429 HD23 A LEU A 18 ? -25.98678 17.92826 18.05972 0.480 14.05935 H ? A ? 17 HD23 1
   ATOM 430 CB B LEU A 18 ? -24.00372 17.20557 16.58077 0.520 10.27018 C ? A ? 17 CB 1
   ATOM 431 CG B LEU A 18 ? -24.11109 16.41960 17.90907 0.520 11.25021 C ? A ? 17 CG 1
   ATOM 432 CD1 B LEU A 18 ? -25.36839 16.54561 18.64645 0.520 8.82447 C ? A ? 17 CD1 1
   ATOM 433 CD2 B LEU A 18 ? -23.99301 14.97029 17.63083 0.520 11.83524 C ? A ? 17 CD2 1
   ATOM 434 HB2 B LEU A 18 ? -24.81620 17.04197 16.07678 0.520 12.32421 H ? A ? 17 HB2 1
   ATOM 435 HB3 B LEU A 18 ? -23.23765 16.85975 16.09656 0.520 12.32421 H ? A ? 17 HB3 1
   ATOM 436 HG B LEU A 18 ? -23.40548 16.79712 18.45724 0.520 13.50025 H ? A ? 17 HG 1
   ATOM 437 HD11 B LEU A 18 ? -25.40580 15.85557 19.32714 0.520 10.58936 H ? A ? 17 HD11 1
   ATOM 438 HD12 B LEU A 18 ? -25.40480 17.42171 19.06121 0.520 10.58936 H ? A ? 17 HD12 1
   ATOM 439 HD13 B LEU A 18 ? -26.10874 16.44115 18.02850 0.520 10.58936 H ? A ? 17 HD13 1
   ATOM 440 HD21 B LEU A 18 ? -24.05243 14.48231 18.46704 0.520 14.20228 H ? A ? 17 HD21 1
   ATOM 441 HD22 B LEU A 18 ? -24.71386 14.70246 17.03961 0.520 14.20228 H ? A ? 17 HD22 1
   ATOM 442 HD23 B LEU A 18 ? -23.13716 14.79864 17.20779 0.520 14.20228 H ? A ? 17 HD23 1
   ATOM 443 N B MET A 19 ? -22.10116 18.99430 15.22750 0.498 5.74509 N ? A ? 18 N 1
   ATOM 444 CA B MET A 19 ? -20.78638 19.46414 14.88470 0.498 7.00631 C ? A ? 18 CA 1
   ATOM 445 C B MET A 19 ? -20.52845 20.81285 15.56728 0.498 6.00355 C ? A ? 18 C 1
   ATOM 446 O B MET A 19 ? -19.43485 21.07049 16.09361 0.498 5.99041 O ? A ? 18 O 1
   ATOM 447 CB B MET A 19 ? -20.75589 19.60628 13.37465 0.498 5.98487 C ? A ? 18 CB 1
   ATOM 448 CG B MET A 19 ? -19.46851 20.13826 12.81723 0.498 7.65610 C ? A ? 18 CG 1
   ATOM 449 SD B MET A 19 ? -19.57549 20.46105 11.01541 0.498 7.56810 S ? A ? 18 SD 1
   ATOM 450 CE B MET A 19 ? -20.35325 22.04687 11.03342 0.498 11.02569 C ? A ? 18 CE 1
   ATOM 451 H B MET A 19 ? -22.56921 18.59674 14.62544 0.498 6.89410 H ? A ? 18 H 1
   ATOM 452 HA B MET A 19 ? -20.09605 18.84054 15.15940 0.498 8.40757 H ? A ? 18 HA 1
   ATOM 453 HB2 B MET A 19 ? -20.90524 18.73267 12.98044 0.498 7.18184 H ? A ? 18 HB2 1
   ATOM 454 HB3 B MET A 19 ? -21.46240 20.21542 13.10875 0.498 7.18184 H ? A ? 18 HB3 1
   ATOM 455 HG2 B MET A 19 ? -19.24989 20.97239 13.26146 0.498 9.18732 H ? A ? 18 HG2 1
   ATOM 456 HG3 B MET A 19 ? -18.76421 19.48825 12.96674 0.498 9.18732 H ? A ? 18 HG3 1
   ATOM 457 HE1 B MET A 19 ? -20.65309 22.26176 10.13630 0.498 13.23083 H ? A ? 18 HE1 1
   ATOM 458 HE2 B MET A 19 ? -21.11132 22.01997 11.63799 0.498 13.23083 H ? A ? 18 HE2 1
   ATOM 459 HE3 B MET A 19 ? -19.71250 22.70945 11.33561 0.498 13.23083 H ? A ? 18 HE3 1
   ATOM 460 N C MET A 19 ? -22.09812 19.79872 15.14325 0.502 7.76215 N ? A ? 18 N 1
   ATOM 461 CA C MET A 19 ? -20.79933 20.42664 14.76209 0.502 10.35006 C ? A ? 18 CA 1
   ATOM 462 C C MET A 19 ? -20.57759 21.78841 15.44749 0.502 6.84944 C ? A ? 18 C 1
   ATOM 463 O C MET A 19 ? -19.48651 22.11234 15.99937 0.502 7.86468 O ? A ? 18 O 1
   ATOM 464 CB C MET A 19 ? -20.87885 20.68216 13.23500 0.502 10.99682 C ? A ? 18 CB 1
   ATOM 465 CG C MET A 19 ? -20.39063 19.65654 12.29933 0.502 8.29078 C ? A ? 18 CG 1
   ATOM 466 SD C MET A 19 ? -20.72548 19.98164 10.51689 0.502 9.26002 S ? A ? 18 SD 1
   ATOM 467 CE C MET A 19 ? -19.72234 21.44674 10.24939 0.502 10.51324 C ? A ? 18 CE 1
   ATOM 468 H C MET A 19 ? -22.65092 19.80380 14.48447 0.502 9.31458 H ? A ? 18 H 1
   ATOM 469 HA C MET A 19 ? -20.07377 19.83323 15.01174 0.502 12.42007 H ? A ? 18 HA 1
   ATOM 470 HB2 C MET A 19 ? -21.81232 20.82711 13.01471 0.502 13.19618 H ? A ? 18 HB2 1
   ATOM 471 HB3 C MET A 19 ? -20.36576 21.48413 13.04932 0.502 13.19618 H ? A ? 18 HB3 1
   ATOM 472 HG2 C MET A 19 ? -19.42902 19.58216 12.40268 0.502 9.94893 H ? A ? 18 HG2 1
   ATOM 473 HG3 C MET A 19 ? -20.81452 18.81314 12.52270 0.502 9.94893 H ? A ? 18 HG3 1
   ATOM 474 HE1 C MET A 19 ? -19.72952 21.66620 9.30457 0.502 12.61589 H ? A ? 18 HE1 1
   ATOM 475 HE2 C MET A 19 ? -20.09342 22.18154 10.76249 0.502 12.61589 H ? A ? 18 HE2 1
   ATOM 476 HE3 C MET A 19 ? -18.81482 21.26547 10.53999 0.502 12.61589 H ? A ? 18 HE3 1
   ATOM 477 N B ALA A 20 ? -21.49492 21.73812 15.49985 0.498 6.36360 N ? A ? 19 N 1
   ATOM 478 CA B ALA A 20 ? -21.27024 23.10003 16.01471 0.498 9.01855 C ? A ? 19 CA 1
   ATOM 479 C B ALA A 20 ? -20.95845 23.12310 17.50499 0.498 7.10343 C ? A ? 19 C 1
   ATOM 480 O B ALA A 20 ? -20.07630 23.85623 17.98209 0.498 7.92613 O ? A ? 19 O 1
   ATOM 481 CB B ALA A 20 ? -22.42876 24.03619 15.66156 0.498 8.84354 C ? A ? 19 CB 1
   ATOM 482 H B ALA A 20 ? -22.27711 21.60780 15.16698 0.498 7.63632 H ? A ? 19 H 1
   ATOM 483 HA B ALA A 20 ? -20.48533 23.44553 15.56145 0.498 10.82226 H ? A ? 19 HA 1
   ATOM 484 HB1 B ALA A 20 ? -22.23316 24.92312 16.00214 0.498 10.61225 H ? A ? 19 HB1 1
   ATOM 485 HB2 B ALA A 20 ? -22.52749 24.06656 14.69707 0.498 10.61225 H ? A ? 19 HB2 1
   ATOM 486 HB3 B ALA A 20 ? -23.24265 23.69828 16.06690 0.498 10.61225 H ? A ? 19 HB3 1
   ATOM 487 N C ALA A 20 ? -21.56955 22.62319 15.41138 0.502 8.73710 N ? A ? 19 N 1
   ATOM 488 CA C ALA A 20 ? -21.50088 23.85008 16.17113 0.502 10.85621 C ? A ? 19 CA 1
   ATOM 489 C C ALA A 20 ? -21.24249 23.60231 17.65644 0.502 9.90165 C ? A ? 19 C 1
   ATOM 490 O C ALA A 20 ? -20.46707 24.42656 18.22720 0.502 10.65585 O ? A ? 19 O 1
   ATOM 491 CB C ALA A 20 ? -22.74305 24.70664 15.85953 0.502 11.12984 C ? A ? 19 CB 1
   ATOM 492 H C ALA A 20 ? -22.29404 22.51373 14.96112 0.502 10.48451 H ? A ? 19 H 1
   ATOM 493 HA C ALA A 20 ? -20.74003 24.38380 15.89335 0.502 13.02745 H ? A ? 19 HA 1
   ATOM 494 HB1 C ALA A 20 ? -22.65689 25.56262 16.30761 0.502 13.35581 H ? A ? 19 HB1 1
   ATOM 495 HB2 C ALA A 20 ? -22.80238 24.83977 14.90055 0.502 13.35581 H ? A ? 19 HB2 1
   ATOM 496 HB3 C ALA A 20 ? -23.53370 24.24424 16.17884 0.502 13.35581 H ? A ? 19 HB3 1
   ATOM 497 N . SER A 21 ? -21.76841 22.46423 18.26991 1.000 9.70242 N ? A ? 20 N 1
   ATOM 498 CA . SER A 21 ? -21.52542 22.34537 19.69708 1.000 8.67948 C ? A ? 20 CA 1
   ATOM 499 C . SER A 21 ? -20.10906 21.85827 19.97940 1.000 7.24219 C ? A ? 20 C 1
   ATOM 500 O . SER A 21 ? -19.44694 22.35899 20.92954 1.000 7.34508 O ? A ? 20 O 1
   ATOM 501 CB . SER A 21 ? -22.54534 21.41213 20.29553 1.000 9.12022 C ? A ? 20 CB 1
   ATOM 502 OG . SER A 21 ? -22.23462 21.15166 21.67816 1.000 9.29979 O ? A ? 20 OG 1
   ATOM 503 HA . SER A 21 ? -21.62349 23.21375 20.11802 1.000 10.41537 H ? A ? 20 HA 1
   ATOM 504 HB2 . SER A 21 ? -23.42285 21.82157 20.23862 1.000 10.94426 H ? A ? 20 HB2 1
   ATOM 505 HB3 . SER A 21 ? -22.53717 20.57545 19.80483 1.000 10.94426 H ? A ? 20 HB3 1
   ATOM 506 HG . SER A 21 ? -22.40456 21.83000 22.14354 1.000 11.15975 H ? A ? 20 HG 1
   ATOM 507 H B SER A 21 ? -22.48053 22.06512 17.99938 0.498 11.64290 H ? A ? 20 H 1
   ATOM 508 H C SER A 21 ? -22.21600 21.83526 17.89089 0.502 11.64290 H ? A ? 20 H 1
   ATOM 509 N . HIS A 22 ? -19.60561 20.88330 19.21390 1.000 6.85720 N ? A ? 21 N 1
   ATOM 510 CA . HIS A 22 ? -18.27825 20.37781 19.44030 1.000 6.78442 C ? A ? 21 CA 1
   ATOM 511 C . HIS A 22 ? -17.18530 21.35715 19.06515 1.000 6.67143 C ? A ? 21 C 1
   ATOM 512 O . HIS A 22 ? -16.09358 21.30773 19.64384 1.000 7.93110 O ? A ? 21 O 1
   ATOM 513 CB . HIS A 22 ? -18.11692 18.96743 18.83586 1.000 7.89098 C ? A ? 21 CB 1
   ATOM 514 CG . HIS A 22 ? -18.81464 17.93093 19.69202 1.000 6.80036 C ? A ? 21 CG 1
   ATOM 515 ND1 . HIS A 22 ? -18.25321 17.33178 20.77607 1.000 7.57273 N ? A ? 21 ND1 1
   ATOM 516 CD2 . HIS A 22 ? -20.09025 17.43429 19.64925 1.000 7.51236 C ? A ? 21 CD2 1
   ATOM 517 CE1 . HIS A 22 ? -19.14230 16.52184 21.35243 1.000 7.75035 C ? A ? 21 CE1 1
   ATOM 518 NE2 . HIS A 22 ? -20.29245 16.61211 20.71582 1.000 7.55325 N ? A ? 21 NE2 1
   ATOM 519 H . HIS A 22 ? -20.02178 20.50730 18.56195 1.000 8.22864 H ? A ? 21 H 1
   ATOM 520 HA . HIS A 22 ? -18.15273 20.25359 20.39409 1.000 8.14131 H ? A ? 21 HA 1
   ATOM 521 HB2 . HIS A 22 ? -18.50909 18.94930 17.94886 1.000 9.46917 H ? A ? 21 HB2 1
   ATOM 522 HB3 . HIS A 22 ? -17.17454 18.74293 18.78660 1.000 9.46917 H ? A ? 21 HB3 1
   ATOM 523 HD1 . HIS A 22 ? -17.44710 17.45628 21.04863 1.000 9.08728 H ? A ? 21 HD1 1
   ATOM 524 HD2 . HIS A 22 ? -20.72057 17.62840 18.99357 1.000 9.01483 H ? A ? 21 HD2 1
   ATOM 525 HE1 . HIS A 22 ? -18.97644 15.97829 22.08859 1.000 9.30042 H ? A ? 21 HE1 1
   ATOM 526 N . PHE A 23 ? -17.42477 22.25891 18.13426 1.000 6.52824 N ? A ? 22 N 1
   ATOM 527 CA . PHE A 23 ? -16.50201 23.35885 17.85224 1.000 5.58990 C ? A ? 22 CA 1
   ATOM 528 C . PHE A 23 ? -16.59935 24.45820 18.91748 1.000 6.00986 C ? A ? 22 C 1
   ATOM 529 O . PHE A 23 ? -15.59536 24.80395 19.59575 1.000 6.14232 O ? A ? 22 O 1
   ATOM 530 CB . PHE A 23 ? -16.76416 23.90528 16.44491 1.000 6.48287 C ? A ? 22 CB 1
   ATOM 531 CG . PHE A 23 ? -15.83440 25.04027 16.06096 1.000 7.01711 C ? A ? 22 CG 1
   ATOM 532 CD1 . PHE A 23 ? -14.53326 24.79443 15.70303 1.000 7.67030 C ? A ? 22 CD1 1
   ATOM 533 CD2 . PHE A 23 ? -16.26095 26.29129 16.05267 1.000 9.27191 C ? A ? 22 CD2 1
   ATOM 534 CE1 . PHE A 23 ? -13.67878 25.86885 15.35349 1.000 8.39231 C ? A ? 22 CE1 1
   ATOM 535 CE2 . PHE A 23 ? -15.35954 27.37601 15.70646 1.000 11.78779 C ? A ? 22 CE2 1
   ATOM 536 CZ . PHE A 23 ? -14.08569 27.07416 15.36770 1.000 8.11936 C ? A ? 22 CZ 1
   ATOM 537 H . PHE A 23 ? -18.12638 22.26411 17.63696 1.000 7.83388 H ? A ? 22 H 1
   ATOM 538 HA . PHE A 23 ? -15.59112 23.02597 17.87127 1.000 6.70788 H ? A ? 22 HA 1
   ATOM 539 HB2 . PHE A 23 ? -16.64178 23.18908 15.80227 1.000 7.77945 H ? A ? 22 HB2 1
   ATOM 540 HB3 . PHE A 23 ? -17.67437 24.23777 16.40179 1.000 7.77945 H ? A ? 22 HB3 1
   ATOM 541 HD1 . PHE A 23 ? -14.21185 23.92183 15.68983 1.000 9.20435 H ? A ? 22 HD1 1
   ATOM 542 HD2 . PHE A 23 ? -17.14555 26.47840 16.27033 1.000 11.12630 H ? A ? 22 HD2 1
   ATOM 543 HE1 . PHE A 23 ? -12.80001 25.68897 15.10794 1.000 10.07077 H ? A ? 22 HE1 1
   ATOM 544 HE2 . PHE A 23 ? -15.65193 28.25879 15.71748 1.000 14.14535 H ? A ? 22 HE2 1
   ATOM 545 HZ . PHE A 23 ? -13.49783 27.75839 15.14157 1.000 9.74323 H ? A ? 22 HZ 1
   ATOM 546 N . GLY A 24 ? -17.78126 25.02411 19.10683 1.000 6.17240 N ? A ? 23 N 1
   ATOM 547 CA . GLY A 24 ? -17.97191 26.17840 19.98100 1.000 7.21678 C ? A ? 23 CA 1
   ATOM 548 C . GLY A 24 ? -17.67214 25.90816 21.43052 1.000 5.90752 C ? A ? 23 C 1
   ATOM 549 O . GLY A 24 ? -17.26944 26.84821 22.15772 1.000 6.91178 O ? A ? 23 O 1
   ATOM 550 H . GLY A 24 ? -18.50888 24.75656 18.73457 1.000 7.40688 H ? A ? 23 H 1
   ATOM 551 HA2 . GLY A 24 ? -17.39050 26.89611 19.68478 1.000 8.66014 H ? A ? 23 HA2 1
   ATOM 552 HA3 . GLY A 24 ? -18.89413 26.47212 19.91669 1.000 8.66014 H ? A ? 23 HA3 1
   ATOM 553 N . ARG A 25 ? -17.83360 24.66816 21.90593 1.000 6.00317 N ? A ? 24 N 1
   ATOM 554 CA . ARG A 25 ? -17.53367 24.41517 23.33361 1.000 5.92429 C ? A ? 24 CA 1
   ATOM 555 C . ARG A 25 ? -16.03931 24.60367 23.63000 1.000 5.66565 C ? A ? 24 C 1
   ATOM 556 O . ARG A 25 ? -15.68053 24.65222 24.82813 1.000 5.92352 O ? A ? 24 O 1
   ATOM 557 CB . ARG A 25 ? -17.96313 22.99742 23.75258 1.000 6.45121 C ? A ? 24 CB 1
   ATOM 558 CG . ARG A 25 ? -17.16249 21.86773 23.11549 1.000 6.73380 C ? A ? 24 CG 1
   ATOM 559 CD . ARG A 25 ? -17.63490 20.50233 23.52958 1.000 6.65742 C ? A ? 24 CD 1
   ATOM 560 NE . ARG A 25 ? -19.04186 20.20626 23.17806 1.000 7.92511 N ? A ? 24 NE 1
   ATOM 561 CZ . ARG A 25 ? -19.76550 19.24448 23.77944 1.000 7.74291 C ? A ? 24 CZ 1
   ATOM 562 NH1 . ARG A 25 ? -19.22752 18.42616 24.67473 1.000 8.67771 N ? A ? 24 NH1 1
   ATOM 563 NH2 . ARG A 25 ? -21.07682 19.16180 23.49238 1.000 8.11583 N ? A ? 24 NH2 1
   ATOM 564 H . ARG A 25 ? -18.10085 23.98827 21.45215 1.000 7.20381 H ? A ? 24 H 1
   ATOM 565 HA . ARG A 25 ? -18.05098 25.03353 23.87298 1.000 7.10914 H ? A ? 24 HA 1
   ATOM 566 HB2 . ARG A 25 ? -17.86371 22.91807 24.71420 1.000 7.74146 H ? A ? 24 HB2 1
   ATOM 567 HB3 . ARG A 25 ? -18.89219 22.87187 23.50362 1.000 7.74146 H ? A ? 24 HB3 1
   ATOM 568 HG2 . ARG A 25 ? -17.24187 21.93052 22.15078 1.000 8.08056 H ? A ? 24 HG2 1
   ATOM 569 HG3 . ARG A 25 ? -16.23268 21.95358 23.37815 1.000 8.08056 H ? A ? 24 HG3 1
   ATOM 570 HD2 . ARG A 25 ? -17.07883 19.83730 23.09437 1.000 7.98891 H ? A ? 24 HD2 1
   ATOM 571 HD3 . ARG A 25 ? -17.55196 20.42515 24.49294 1.000 7.98891 H ? A ? 24 HD3 1
   ATOM 572 HE . ARG A 25 ? -19.41522 20.67194 22.55891 1.000 9.51013 H ? A ? 24 HE 1
   ATOM 573 HH11 . ARG A 25 ? -18.39679 18.50335 24.88338 1.000 10.41325 H ? A ? 24 HH11 1
   ATOM 574 HH12 . ARG A 25 ? -19.70956 17.81859 25.04634 1.000 10.41325 H ? A ? 24 HH12 1
   ATOM 575 HH21 . ARG A 25 ? -21.43124 19.71502 22.93746 1.000 9.73900 H ? A ? 24 HH21 1
   ATOM 576 HH22 . ARG A 25 ? -21.56091 18.55571 23.86374 1.000 9.73900 H ? A ? 24 HH22 1
   ATOM 577 N . MET A 26 ? -15.16428 24.66689 22.61736 1.000 4.55329 N ? A ? 25 N 1
   ATOM 578 CA . MET A 26 ? -13.75059 24.95666 22.87320 1.000 5.56591 C ? A ? 25 CA 1
   ATOM 579 C . MET A 26 ? -13.42689 26.43472 22.93913 1.000 5.15194 C ? A ? 25 C 1
   ATOM 580 O . MET A 26 ? -12.26409 26.77061 23.30923 1.000 5.83835 O ? A ? 25 O 1
   ATOM 581 CB . MET A 26 ? -12.84295 24.28126 21.81779 1.000 6.04955 C ? A ? 25 CB 1
   ATOM 582 CG . MET A 26 ? -13.00529 22.75352 21.80685 1.000 5.76564 C ? A ? 25 CG 1
   ATOM 583 SD . MET A 26 ? -11.90807 21.88054 20.67952 1.000 6.34470 S ? A ? 25 SD 1
   ATOM 584 CE . MET A 26 ? -12.71758 22.33159 19.12004 1.000 7.07534 C ? A ? 25 CE 1
   ATOM 585 H . MET A 26 ? -15.36348 24.54751 21.78931 1.000 5.46395 H ? A ? 25 H 1
   ATOM 586 HA . MET A 26 ? -13.53326 24.56278 23.73258 1.000 6.67909 H ? A ? 25 HA 1
   ATOM 587 HB2 . MET A 26 ? -13.07454 24.61687 20.93766 1.000 7.25947 H ? A ? 25 HB2 1
   ATOM 588 HB3 . MET A 26 ? -11.91610 24.48603 22.01762 1.000 7.25947 H ? A ? 25 HB3 1
   ATOM 589 HG2 . MET A 26 ? -12.82944 22.41928 22.70031 1.000 6.91877 H ? A ? 25 HG2 1
   ATOM 590 HG3 . MET A 26 ? -13.91585 22.54298 21.54712 1.000 6.91877 H ? A ? 25 HG3 1
   ATOM 591 HE1 . MET A 26 ? -12.23208 21.92763 18.38383 1.000 8.49041 H ? A ? 25 HE1 1
   ATOM 592 HE2 . MET A 26 ? -13.63100 22.00537 19.13249 1.000 8.49041 H ? A ? 25 HE2 1
   ATOM 593 HE3 . MET A 26 ? -12.71246 23.29732 19.02935 1.000 8.49041 H ? A ? 25 HE3 1
   ATOM 594 N . THR A 27 ? -14.35263 27.34000 22.59997 1.000 5.99131 N ? A ? 26 N 1
   ATOM 595 CA . THR A 27 ? -14.03477 28.77766 22.59637 1.000 6.06822 C ? A ? 26 CA 1
   ATOM 596 C . THR A 27 ? -13.44442 29.25250 23.94030 1.000 5.65568 C ? A ? 26 C 1
   ATOM 597 O . THR A 27 ? -12.42763 29.97345 23.92639 1.000 6.13600 O ? A ? 26 O 1
   ATOM 598 CB . THR A 27 ? -15.27583 29.59932 22.22626 1.000 7.47200 C ? A ? 26 CB 1
   ATOM 599 OG1 . THR A 27 ? -15.71198 29.23377 20.91565 1.000 7.74872 O ? A ? 26 OG1 1
   ATOM 600 CG2 . THR A 27 ? -14.96927 31.08414 22.25839 1.000 13.98990 C ? A ? 26 CG2 1
   ATOM 601 H . THR A 27 ? -15.16039 27.15359 22.37108 1.000 7.18958 H ? A ? 26 H 1
   ATOM 602 HA . THR A 27 ? -13.37413 28.92626 21.90183 1.000 7.28186 H ? A ? 26 HA 1
   ATOM 603 HB . THR A 27 ? -15.98232 29.42375 22.86731 1.000 8.96640 H ? A ? 26 HB 1
   ATOM 604 HG1 . THR A 27 ? -15.95718 28.43039 20.90811 1.000 9.29847 H ? A ? 26 HG1 1
   ATOM 605 HG21 . THR A 27 ? -15.68925 31.58069 21.83890 1.000 16.78788 H ? A ? 26 HG21 1
   ATOM 606 HG22 . THR A 27 ? -14.87349 31.38334 23.17610 1.000 16.78788 H ? A ? 26 HG22 1
   ATOM 607 HG23 . THR A 27 ? -14.14387 31.26288 21.78124 1.000 16.78788 H ? A ? 26 HG23 1
   ATOM 608 N A PRO A 28 ? -13.96680 28.85549 25.11054 0.677 5.69621 N ? A ? 27 N 1
   ATOM 609 CA A PRO A 28 ? -13.35480 29.38603 26.32975 0.677 5.45333 C ? A ? 27 CA 1
   ATOM 610 C A PRO A 28 ? -11.92027 28.92505 26.47902 0.677 5.57287 C ? A ? 27 C 1
   ATOM 611 O A PRO A 28 ? -11.10455 29.63933 27.13433 0.677 6.14061 O ? A ? 27 O 1
   ATOM 612 CB A PRO A 28 ? -14.25865 28.82855 27.43108 0.677 6.67430 C ? A ? 27 CB 1
   ATOM 613 CG A PRO A 28 ? -15.58928 28.63557 26.73318 0.677 7.56394 C ? A ? 27 CG 1
   ATOM 614 CD A PRO A 28 ? -15.22495 28.08958 25.40120 0.677 6.38767 C ? A ? 27 CD 1
   ATOM 615 HA A PRO A 28 ? -13.39470 30.35481 26.35752 0.677 6.54399 H ? A ? 27 HA 1
   ATOM 616 HB2 A PRO A 28 ? -13.90755 27.98617 27.75977 0.677 8.00916 H ? A ? 27 HB2 1
   ATOM 617 HB3 A PRO A 28 ? -14.33180 29.46446 28.15989 0.677 8.00916 H ? A ? 27 HB3 1
   ATOM 618 HG2 A PRO A 28 ? -16.13901 28.00917 27.22948 0.677 9.07673 H ? A ? 27 HG2 1
   ATOM 619 HG3 A PRO A 28 ? -16.04867 29.48573 26.64894 0.677 9.07673 H ? A ? 27 HG3 1
   ATOM 620 HD2 A PRO A 28 ? -15.05619 27.13534 25.44419 0.677 7.66521 H ? A ? 27 HD2 1
   ATOM 621 HD3 A PRO A 28 ? -15.91239 28.27557 24.74261 0.677 7.66521 H ? A ? 27 HD3 1
   ATOM 622 N B PRO A 28 ? -13.98872 28.88731 25.10871 0.323 5.73610 N ? A ? 27 N 1
   ATOM 623 CA B PRO A 28 ? -13.36631 29.38154 26.34010 0.323 5.55128 C ? A ? 27 CA 1
   ATOM 624 C B PRO A 28 ? -11.95893 28.85203 26.54904 0.323 5.69206 C ? A ? 27 C 1
   ATOM 625 O B PRO A 28 ? -11.17017 29.53055 27.23504 0.323 6.24644 O ? A ? 27 O 1
   ATOM 626 CB B PRO A 28 ? -14.32865 28.91097 27.43737 0.323 6.67164 C ? A ? 27 CB 1
   ATOM 627 CG B PRO A 28 ? -15.65431 28.74550 26.72712 0.323 7.73176 C ? A ? 27 CG 1
   ATOM 628 CD B PRO A 28 ? -15.27755 28.19684 25.38474 0.323 6.47477 C ? A ? 27 CD 1
   ATOM 629 HA B PRO A 28 ? -13.34382 30.35128 26.33948 0.323 6.66153 H ? A ? 27 HA 1
   ATOM 630 HB2 B PRO A 28 ? -14.02354 28.06845 27.80882 0.323 8.00597 H ? A ? 27 HB2 1
   ATOM 631 HB3 B PRO A 28 ? -14.38816 29.57994 28.13725 0.323 8.00597 H ? A ? 27 HB3 1
   ATOM 632 HG2 B PRO A 28 ? -16.21978 28.12522 27.21332 0.323 9.27812 H ? A ? 27 HG2 1
   ATOM 633 HG3 B PRO A 28 ? -16.09876 29.60358 26.64304 0.323 9.27812 H ? A ? 27 HG3 1
   ATOM 634 HD2 B PRO A 28 ? -15.15690 27.23511 25.42240 0.323 7.76973 H ? A ? 27 HD2 1
   ATOM 635 HD3 B PRO A 28 ? -15.94378 28.42171 24.71656 0.323 7.76973 H ? A ? 27 HD3 1
   ATOM 636 N A VAL A 29 ? -11.58770 27.69212 26.06227 0.677 5.37961 N ? A ? 28 N 1
   ATOM 637 CA A VAL A 29 ? -10.20348 27.20641 26.15720 0.677 5.20462 C ? A ? 28 CA 1
   ATOM 638 C A VAL A 29 ? -9.27510 28.00175 25.23383 0.677 5.29788 C ? A ? 28 C 1
   ATOM 639 O A VAL A 29 ? -8.18965 28.44979 25.64744 0.677 5.86652 O ? A ? 28 O 1
   ATOM 640 CB A VAL A 29 ? -10.16501 25.68712 25.87025 0.677 5.74320 C ? A ? 28 CB 1
   ATOM 641 CG1 A VAL A 29 ? -8.74818 25.19701 25.83167 0.677 6.27235 C ? A ? 28 CG1 1
   ATOM 642 CG2 A VAL A 29 ? -10.98044 24.89017 26.90803 0.677 6.16820 C ? A ? 28 CG2 1
   ATOM 643 H A VAL A 29 ? -12.13881 27.12465 25.72486 0.677 6.45553 H ? A ? 28 H 1
   ATOM 644 HA A VAL A 29 ? -9.88119 27.35011 27.06074 0.677 6.24554 H ? A ? 28 HA 1
   ATOM 645 HB A VAL A 29 ? -10.57149 25.53597 25.00260 0.677 6.89184 H ? A ? 28 HB 1
   ATOM 646 HG11 A VAL A 29 ? -8.74993 24.22721 25.81170 0.677 7.52682 H ? A ? 28 HG11 1
   ATOM 647 HG12 A VAL A 29 ? -8.31574 25.54347 25.03551 0.677 7.52682 H ? A ? 28 HG12 1
   ATOM 648 HG13 A VAL A 29 ? -8.28383 25.51072 26.62341 0.677 7.52682 H ? A ? 28 HG13 1
   ATOM 649 HG21 A VAL A 29 ? -10.93932 23.94701 26.68521 0.677 7.40184 H ? A ? 28 HG21 1
   ATOM 650 HG22 A VAL A 29 ? -10.60199 25.03880 27.78870 0.677 7.40184 H ? A ? 28 HG22 1
   ATOM 651 HG23 A VAL A 29 ? -11.90108 25.19499 26.88788 0.677 7.40184 H ? A ? 28 HG23 1
   ATOM 652 N B VAL A 29 ? -11.64910 27.63026 26.08781 0.323 5.29322 N ? A ? 28 N 1
   ATOM 653 CA B VAL A 29 ? -10.28851 27.07860 26.17089 0.323 5.40551 C ? A ? 28 CA 1
   ATOM 654 C B VAL A 29 ? -9.32674 27.84232 25.25101 0.323 5.04076 C ? A ? 28 C 1
   ATOM 655 O B VAL A 29 ? -8.19970 28.22275 25.65424 0.323 5.59397 O ? A ? 28 O 1
   ATOM 656 CB B VAL A 29 ? -10.31328 25.56843 25.83715 0.323 5.57867 C ? A ? 28 CB 1
   ATOM 657 CG1 B VAL A 29 ? -8.90480 24.97171 25.81886 0.323 6.77756 C ? A ? 28 CG1 1
   ATOM 658 CG2 B VAL A 29 ? -11.27516 24.82288 26.81729 0.323 5.55119 C ? A ? 28 CG2 1
   ATOM 659 H B VAL A 29 ? -12.21309 27.09586 25.71912 0.323 6.35186 H ? A ? 28 H 1
   ATOM 660 HA B VAL A 29 ? -9.96936 27.18867 27.08024 0.323 6.48661 H ? A ? 28 HA 1
   ATOM 661 HB B VAL A 29 ? -10.65959 25.44361 24.93971 0.323 6.69441 H ? A ? 28 HB 1
   ATOM 662 HG11 B VAL A 29 ? -8.97193 24.00493 25.77732 0.323 8.13308 H ? A ? 28 HG11 1
   ATOM 663 HG12 B VAL A 29 ? -8.43107 25.30414 25.04042 0.323 8.13308 H ? A ? 28 HG12 1
   ATOM 664 HG13 B VAL A 29 ? -8.43912 25.23651 26.62752 0.323 8.13308 H ? A ? 28 HG13 1
   ATOM 665 HG21 B VAL A 29 ? -11.24781 23.87257 26.62474 0.323 6.66143 H ? A ? 28 HG21 1
   ATOM 666 HG22 B VAL A 29 ? -10.98466 24.98423 27.72859 0.323 6.66143 H ? A ? 28 HG22 1
   ATOM 667 HG23 B VAL A 29 ? -12.17621 25.15980 26.69278 0.323 6.66143 H ? A ? 28 HG23 1
   ATOM 668 N A VAL A 30 ? -9.66678 28.16483 23.99031 0.677 5.58452 N ? A ? 29 N 1
   ATOM 669 CA A VAL A 30 ? -8.94756 29.00449 23.02212 0.677 6.04503 C ? A ? 29 CA 1
   ATOM 670 C A VAL A 30 ? -8.69302 30.41856 23.56386 0.677 6.28514 C ? A ? 29 C 1
   ATOM 671 O A VAL A 30 ? -7.62312 31.01498 23.36918 0.677 8.49194 O ? A ? 29 O 1
   ATOM 672 CB A VAL A 30 ? -9.79226 29.06148 21.73620 0.677 7.07776 C ? A ? 29 CB 1
   ATOM 673 CG1 A VAL A 30 ? -9.25481 30.00936 20.69241 0.677 7.94209 C ? A ? 29 CG1 1
   ATOM 674 CG2 A VAL A 30 ? -9.83562 27.62956 21.11894 0.677 5.97293 C ? A ? 29 CG2 1
   ATOM 675 H A VAL A 30 ? -10.36742 27.79413 23.65671 0.677 6.70142 H ? A ? 29 H 1
   ATOM 676 HA A VAL A 30 ? -8.07758 28.61184 22.84932 0.677 7.25403 H ? A ? 29 HA 1
   ATOM 677 HB A VAL A 30 ? -10.67182 29.38806 21.98239 0.677 8.49331 H ? A ? 29 HB 1
   ATOM 678 HG11 A VAL A 30 ? -9.73367 29.86784 19.86080 0.677 9.53050 H ? A ? 29 HG11 1
   ATOM 679 HG12 A VAL A 30 ? -9.38386 30.92109 20.99738 0.677 9.53050 H ? A ? 29 HG12 1
   ATOM 680 HG13 A VAL A 30 ? -8.30946 29.83431 20.56367 0.677 9.53050 H ? A ? 29 HG13 1
   ATOM 681 HG21 A VAL A 30 ? -10.46160 27.62390 20.37798 0.677 7.16751 H ? A ? 29 HG21 1
   ATOM 682 HG22 A VAL A 30 ? -8.94870 27.39424 20.80447 0.677 7.16751 H ? A ? 29 HG22 1
   ATOM 683 HG23 A VAL A 30 ? -10.12290 27.00087 21.79947 0.677 7.16751 H ? A ? 29 HG23 1
   ATOM 684 N B VAL A 30 ? -9.75741 28.14347 24.02800 0.323 5.60695 N ? A ? 29 N 1
   ATOM 685 CA B VAL A 30 ? -8.86383 28.84429 23.10834 0.323 5.88899 C ? A ? 29 CA 1
   ATOM 686 C B VAL A 30 ? -8.57204 30.26085 23.61824 0.323 5.96368 C ? A ? 29 C 1
   ATOM 687 O B VAL A 30 ? -7.38383 30.69562 23.52714 0.323 4.99881 O ? A ? 29 O 1
   ATOM 688 CB B VAL A 30 ? -9.42248 28.82542 21.68099 0.323 5.36851 C ? A ? 29 CB 1
   ATOM 689 CG1 B VAL A 30 ? -8.97572 30.08305 20.86502 0.323 9.54921 C ? A ? 29 CG1 1
   ATOM 690 CG2 B VAL A 30 ? -9.11706 27.49823 21.02005 0.323 7.59698 C ? A ? 29 CG2 1
   ATOM 691 H B VAL A 30 ? -10.53709 27.95966 23.71508 0.323 6.72834 H ? A ? 29 H 1
   ATOM 692 HA B VAL A 30 ? -8.01787 28.37055 23.07986 0.323 7.06679 H ? A ? 29 HA 1
   ATOM 693 HB B VAL A 30 ? -10.38978 28.89380 21.70447 0.323 6.44222 H ? A ? 29 HB 1
   ATOM 694 HG11 B VAL A 30 ? -9.16946 29.93548 19.92608 0.323 11.45906 H ? A ? 29 HG11 1
   ATOM 695 HG12 B VAL A 30 ? -9.46396 30.85741 21.18577 0.323 11.45906 H ? A ? 29 HG12 1
   ATOM 696 HG13 B VAL A 30 ? -8.02318 30.21792 20.98900 0.323 11.45906 H ? A ? 29 HG13 1
   ATOM 697 HG21 B VAL A 30 ? -9.48036 27.50231 20.12067 0.323 9.11638 H ? A ? 29 HG21 1
   ATOM 698 HG22 B VAL A 30 ? -8.15541 27.37539 20.98779 0.323 9.11638 H ? A ? 29 HG22 1
   ATOM 699 HG23 B VAL A 30 ? -9.52426 26.78636 21.53805 0.323 9.11638 H ? A ? 29 HG23 1
   ATOM 700 N . LYS A 31 ? -9.62942 30.97145 24.23577 1.000 6.45500 N ? A ? 30 N 1
   ATOM 701 CA . LYS A 31 ? -9.51089 32.31080 24.80911 1.000 7.50547 C ? A ? 30 CA 1
   ATOM 702 C . LYS A 31 ? -8.72240 32.35810 26.10045 1.000 7.70437 C ? A ? 30 C 1
   ATOM 703 O . LYS A 31 ? -8.42878 33.47179 26.60666 1.000 10.18280 O ? A ? 30 O 1
   ATOM 704 HA . LYS A 31 ? -9.01997 32.86433 24.18181 1.000 9.00657 H ? A ? 30 HA 1
   ATOM 705 CB A LYS A 31 ? -10.86937 32.95736 24.95776 0.516 8.96724 C ? A ? 30 CB 1
   ATOM 706 CG A LYS A 31 ? -11.53294 33.29155 23.62413 0.516 10.58995 C ? A ? 30 CG 1
   ATOM 707 CD A LYS A 31 ? -12.77506 34.07558 23.88420 0.516 15.52649 C ? A ? 30 CD 1
   ATOM 708 CE A LYS A 31 ? -13.38413 34.57524 22.58435 0.516 20.47089 C ? A ? 30 CE 1
   ATOM 709 NZ A LYS A 31 ? -14.56666 35.47851 22.80139 0.516 26.78511 N ? A ? 30 NZ 1
   ATOM 710 H A LYS A 31 ? -10.38769 30.59898 24.39670 0.677 7.74600 H ? A ? 30 H 1
   ATOM 711 HB2 A LYS A 31 ? -11.45431 32.34980 25.43695 0.516 10.76069 H ? A ? 30 HB2 1
   ATOM 712 HB3 A LYS A 31 ? -10.76975 33.78383 25.45568 0.516 10.76069 H ? A ? 30 HB3 1
   ATOM 713 HG2 A LYS A 31 ? -10.93203 33.82385 23.07965 0.516 12.70794 H ? A ? 30 HG2 1
   ATOM 714 HG3 A LYS A 31 ? -11.76761 32.47433 23.15724 0.516 12.70794 H ? A ? 30 HG3 1
   ATOM 715 HD2 A LYS A 31 ? -13.42555 33.51203 24.33161 0.516 18.63179 H ? A ? 30 HD2 1
   ATOM 716 HD3 A LYS A 31 ? -12.56323 34.84255 24.43899 0.516 18.63179 H ? A ? 30 HD3 1
   ATOM 717 HE2 A LYS A 31 ? -12.71315 35.07391 22.09241 0.516 24.56507 H ? A ? 30 HE2 1
   ATOM 718 HE3 A LYS A 31 ? -13.68118 33.81399 22.06169 0.516 24.56507 H ? A ? 30 HE3 1
   ATOM 719 HZ1 A LYS A 31 ? -15.13459 35.40549 22.12005 0.516 32.14213 H ? A ? 30 HZ1 1
   ATOM 720 HZ2 A LYS A 31 ? -14.98705 35.25429 23.55312 0.516 32.14213 H ? A ? 30 HZ2 1
   ATOM 721 HZ3 A LYS A 31 ? -14.29645 36.32427 22.86280 0.516 32.14213 H ? A ? 30 HZ3 1
   ATOM 722 CB B LYS A 31 ? -10.86863 32.95533 24.95906 0.484 8.97364 C ? A ? 30 CB 1
   ATOM 723 CG B LYS A 31 ? -11.52784 33.29766 23.62802 0.484 10.60265 C ? A ? 30 CG 1
   ATOM 724 CD B LYS A 31 ? -12.83475 33.96754 23.88715 0.484 15.42869 C ? A ? 30 CD 1
   ATOM 725 CE B LYS A 31 ? -13.41489 34.53105 22.59401 0.484 20.47059 C ? A ? 30 CE 1
   ATOM 726 NZ B LYS A 31 ? -12.55965 35.59305 21.95996 0.484 23.71780 N ? A ? 30 NZ 1
   ATOM 727 H B LYS A 31 ? -10.42526 30.65533 24.31522 0.323 7.74600 H ? A ? 30 H 1
   ATOM 728 HB2 B LYS A 31 ? -11.45452 32.34439 25.43275 0.484 10.76837 H ? A ? 30 HB2 1
   ATOM 729 HB3 B LYS A 31 ? -10.77044 33.77846 25.46278 0.484 10.76837 H ? A ? 30 HB3 1
   ATOM 730 HG2 B LYS A 31 ? -10.95969 33.90074 23.12363 0.484 12.72318 H ? A ? 30 HG2 1
   ATOM 731 HG3 B LYS A 31 ? -11.68524 32.48688 23.11933 0.484 12.72318 H ? A ? 30 HG3 1
   ATOM 732 HD2 B LYS A 31 ? -13.46239 33.32453 24.25252 0.484 18.51443 H ? A ? 30 HD2 1
   ATOM 733 HD3 B LYS A 31 ? -12.70680 34.69824 24.51214 0.484 18.51443 H ? A ? 30 HD3 1
   ATOM 734 HE2 B LYS A 31 ? -13.51211 33.80862 21.95405 0.484 24.56470 H ? A ? 30 HE2 1
   ATOM 735 HE3 B LYS A 31 ? -14.28098 34.92388 22.78498 0.484 24.56470 H ? A ? 30 HE3 1
   ATOM 736 HZ1 B LYS A 31 ? -13.02230 36.02176 21.33205 0.484 28.46136 H ? A ? 30 HZ1 1
   ATOM 737 HZ2 B LYS A 31 ? -12.29615 36.17937 22.57551 0.484 28.46136 H ? A ? 30 HZ2 1
   ATOM 738 HZ3 B LYS A 31 ? -11.84115 35.22296 21.58729 0.484 28.46136 H ? A ? 30 HZ3 1
   ATOM 739 N . GLY A 32 ? -8.47357 31.23426 26.75319 1.000 7.70971 N ? A ? 31 N 1
   ATOM 740 CA . GLY A 32 ? -7.83449 31.20366 28.03495 1.000 8.00400 C ? A ? 31 CA 1
   ATOM 741 C . GLY A 32 ? -8.73641 31.34491 29.22268 1.000 7.36413 C ? A ? 31 C 1
   ATOM 742 O . GLY A 32 ? -8.22088 31.41050 30.37801 1.000 8.22077 O ? A ? 31 O 1
   ATOM 743 H . GLY A 32 ? -8.67639 30.45327 26.45567 1.000 9.25166 H ? A ? 31 H 1
   ATOM 744 HA2 . GLY A 32 ? -7.36711 30.35832 28.12362 1.000 9.60480 H ? A ? 31 HA2 1
   ATOM 745 HA3 . GLY A 32 ? -7.18906 31.92680 28.07229 1.000 9.60480 H ? A ? 31 HA3 1
   ATOM 746 N A GLN A 33 ? -10.03892 31.45356 29.03194 0.701 8.20014 N ? A ? 32 N 1
   ATOM 747 CA A GLN A 33 ? -11.02660 31.59354 30.10518 0.701 8.26971 C ? A ? 32 CA 1
   ATOM 748 C A GLN A 33 ? -11.33363 30.30094 30.85461 0.701 6.50355 C ? A ? 32 C 1
   ATOM 749 O A GLN A 33 ? -11.69192 30.33636 32.03103 0.701 6.92409 O ? A ? 32 O 1
   ATOM 750 CB A GLN A 33 ? -12.27934 32.18582 29.51521 0.701 9.73358 C ? A ? 32 CB 1
   ATOM 751 CG A GLN A 33 ? -12.00429 33.60654 28.93359 0.701 11.93540 C ? A ? 32 CG 1
   ATOM 752 CD A GLN A 33 ? -13.11794 34.06872 28.09165 0.701 18.43117 C ? A ? 32 CD 1
   ATOM 753 OE1 A GLN A 33 ? -14.04109 33.31432 27.79178 0.701 21.27024 O ? A ? 32 OE1 1
   ATOM 754 NE2 A GLN A 33 ? -13.06913 35.35164 27.71002 0.701 20.41876 N ? A ? 32 NE2 1
   ATOM 755 H A GLN A 33 ? -10.40349 31.44967 28.25305 0.701 9.84017 H ? A ? 32 H 1
   ATOM 756 HA A GLN A 33 ? -10.68001 32.19640 30.78144 0.701 9.92365 H ? A ? 32 HA 1
   ATOM 757 HB2 A GLN A 33 ? -12.59883 31.61605 28.79815 0.701 11.68029 H ? A ? 32 HB2 1
   ATOM 758 HB3 A GLN A 33 ? -12.95650 32.26148 30.20560 0.701 11.68029 H ? A ? 32 HB3 1
   ATOM 759 HG2 A GLN A 33 ? -11.89156 34.23576 29.66317 0.701 14.32248 H ? A ? 32 HG2 1
   ATOM 760 HG3 A GLN A 33 ? -11.20105 33.58102 28.39041 0.701 14.32248 H ? A ? 32 HG3 1
   ATOM 761 HE21 A GLN A 33 ? -12.41339 35.84952 27.95846 0.701 24.50251 H ? A ? 32 HE21 1
   ATOM 762 HE22 A GLN A 33 ? -13.69353 35.67752 27.21652 0.701 24.50251 H ? A ? 32 HE22 1
   ATOM 763 N B GLN A 33 ? -10.04365 31.44578 29.02379 0.299 8.18106 N ? A ? 32 N 1
   ATOM 764 CA B GLN A 33 ? -11.01061 31.51706 30.11690 0.299 8.33925 C ? A ? 32 CA 1
   ATOM 765 C B GLN A 33 ? -11.29544 30.16035 30.77036 0.299 6.84546 C ? A ? 32 C 1
   ATOM 766 O B GLN A 33 ? -12.04215 30.12271 31.78368 0.299 7.13324 O ? A ? 32 O 1
   ATOM 767 CB B GLN A 33 ? -12.29309 32.18858 29.60922 0.299 9.85547 C ? A ? 32 CB 1
   ATOM 768 CG B GLN A 33 ? -12.05739 33.64042 29.11963 0.299 12.61812 C ? A ? 32 CG 1
   ATOM 769 CD B GLN A 33 ? -13.13807 34.12764 28.19642 0.299 18.37568 C ? A ? 32 CD 1
   ATOM 770 OE1 B GLN A 33 ? -14.30744 33.83635 28.38318 0.299 14.99970 O ? A ? 32 OE1 1
   ATOM 771 NE2 B GLN A 33 ? -12.74818 34.88288 27.18682 0.299 21.16983 N ? A ? 32 NE2 1
   ATOM 772 H B GLN A 33 ? -10.40855 31.47589 28.24563 0.299 9.81727 H ? A ? 32 H 1
   ATOM 773 HA B GLN A 33 ? -10.65987 32.07518 30.82851 0.299 10.00709 H ? A ? 32 HA 1
   ATOM 774 HB2 B GLN A 33 ? -12.64543 31.67454 28.86590 0.299 11.82657 H ? A ? 32 HB2 1
   ATOM 775 HB3 B GLN A 33 ? -12.94138 32.21639 30.33022 0.299 11.82657 H ? A ? 32 HB3 1
   ATOM 776 HG2 B GLN A 33 ? -12.03035 34.23217 29.88774 0.299 15.14175 H ? A ? 32 HG2 1
   ATOM 777 HG3 B GLN A 33 ? -11.21457 33.67932 28.64104 0.299 15.14175 H ? A ? 32 HG3 1
   ATOM 778 HE21 B GLN A 33 ? -11.91483 35.07023 27.08671 0.299 25.40379 H ? A ? 32 HE21 1
   ATOM 779 HE22 B GLN A 33 ? -13.32746 35.18767 26.62903 0.299 25.40379 H ? A ? 32 HE22 1
   ATOM 780 N A ALA A 34 ? -11.13019 29.15328 30.23618 0.701 5.79344 N ? A ? 33 N 1
   ATOM 781 CA A ALA A 34 ? -11.21089 27.82242 30.81206 0.701 4.84668 C ? A ? 33 CA 1
   ATOM 782 C A ALA A 34 ? -9.80934 27.23252 30.64508 0.701 4.88835 C ? A ? 33 C 1
   ATOM 783 O A ALA A 34 ? -9.07976 27.58129 29.67873 0.701 5.36581 O ? A ? 33 O 1
   ATOM 784 CB A ALA A 34 ? -12.25533 26.98677 30.06837 0.701 6.24568 C ? A ? 33 CB 1
   ATOM 785 H A ALA A 34 ? -10.92414 29.11297 29.40220 0.701 6.95213 H ? A ? 33 H 1
   ATOM 786 HA A ALA A 34 ? -11.47537 27.81085 31.74524 0.701 5.81602 H ? A ? 33 HA 1
   ATOM 787 HB1 A ALA A 34 ? -12.27616 26.09510 30.44967 0.701 7.49482 H ? A ? 33 HB1 1
   ATOM 788 HB2 A ALA A 34 ? -13.12374 27.40808 30.16468 0.701 7.49482 H ? A ? 33 HB2 1
   ATOM 789 HB3 A ALA A 34 ? -12.01265 26.93984 29.13040 0.701 7.49482 H ? A ? 33 HB3 1
   ATOM 790 N B ALA A 34 ? -10.72451 29.07640 30.22367 0.299 5.07366 N ? A ? 33 N 1
   ATOM 791 CA B ALA A 34 ? -10.84202 27.70889 30.73394 0.299 4.38682 C ? A ? 33 CA 1
   ATOM 792 C B ALA A 34 ? -9.51396 26.97133 30.59209 0.299 4.17185 C ? A ? 33 C 1
   ATOM 793 O B ALA A 34 ? -8.75923 27.19755 29.62351 0.299 5.10637 O ? A ? 33 O 1
   ATOM 794 CB B ALA A 34 ? -11.97790 26.97558 29.98267 0.299 6.52266 C ? A ? 33 CB 1
   ATOM 795 H B ALA A 34 ? -10.23712 29.11416 29.51612 0.299 6.08840 H ? A ? 33 H 1
   ATOM 796 HA B ALA A 34 ? -11.03788 27.70805 31.68396 0.299 5.26418 H ? A ? 33 HA 1
   ATOM 797 HB1 B ALA A 34 ? -12.08106 26.08642 30.35637 0.299 7.82719 H ? A ? 33 HB1 1
   ATOM 798 HB2 B ALA A 34 ? -12.80165 27.47664 30.08888 0.299 7.82719 H ? A ? 33 HB2 1
   ATOM 799 HB3 B ALA A 34 ? -11.74674 26.91451 29.04260 0.299 7.82719 H ? A ? 33 HB3 1
   ATOM 800 N A PRO A 35 ? -9.42070 26.28449 31.49730 0.701 5.14640 N ? A ? 34 N 1
   ATOM 801 CA A PRO A 35 ? -8.04588 25.71562 31.40607 0.701 5.80033 C ? A ? 34 CA 1
   ATOM 802 C A PRO A 35 ? -7.86525 24.81125 30.19164 0.701 5.15071 C ? A ? 34 C 1
   ATOM 803 O A PRO A 35 ? -8.83853 24.25570 29.62853 0.701 5.49062 O ? A ? 34 O 1
   ATOM 804 CB A PRO A 35 ? -7.87758 24.92583 32.70469 0.701 5.99851 C ? A ? 34 CB 1
   ATOM 805 CG A PRO A 35 ? -9.25824 24.68188 33.15585 0.701 8.98746 C ? A ? 34 CG 1
   ATOM 806 CD A PRO A 35 ? -10.14253 25.82045 32.67528 0.701 4.90477 C ? A ? 34 CD 1
   ATOM 807 HA A PRO A 35 ? -7.39697 26.43587 31.37350 0.701 6.96039 H ? A ? 34 HA 1
   ATOM 808 HB2 A PRO A 35 ? -7.41303 24.09224 32.53088 0.701 7.19822 H ? A ? 34 HB2 1
   ATOM 809 HB3 A PRO A 35 ? -7.38430 25.45143 33.35379 0.701 7.19822 H ? A ? 34 HB3 1
   ATOM 810 HG2 A PRO A 35 ? -9.56702 23.84137 32.78289 0.701 10.78495 H ? A ? 34 HG2 1
   ATOM 811 HG3 A PRO A 35 ? -9.26944 24.63890 34.12483 0.701 10.78495 H ? A ? 34 HG3 1
   ATOM 812 HD2 A PRO A 35 ? -11.02808 25.50156 32.44075 0.701 5.88573 H ? A ? 34 HD2 1
   ATOM 813 HD3 A PRO A 35 ? -10.20813 26.51976 33.34428 0.701 5.88573 H ? A ? 34 HD3 1
   ATOM 814 N B PRO A 35 ? -9.24984 26.02576 31.49443 0.299 4.73443 N ? A ? 34 N 1
   ATOM 815 CA B PRO A 35 ? -7.94984 25.34718 31.48961 0.299 3.90422 C ? A ? 34 CA 1
   ATOM 816 C B PRO A 35 ? -7.76859 24.54081 30.25035 0.299 5.01020 C ? A ? 34 C 1
   ATOM 817 O B PRO A 35 ? -8.68656 23.87568 29.74375 0.299 5.88033 O ? A ? 34 O 1
   ATOM 818 CB B PRO A 35 ? -7.97686 24.48091 32.77453 0.299 5.21571 C ? A ? 34 CB 1
   ATOM 819 CG B PRO A 35 ? -9.44442 24.31638 33.02291 0.299 4.60377 C ? A ? 34 CG 1
   ATOM 820 CD B PRO A 35 ? -10.07959 25.60211 32.63485 0.299 4.65161 C ? A ? 34 CD 1
   ATOM 821 HA B PRO A 35 ? -7.22100 25.98284 31.56461 0.299 4.68507 H ? A ? 34 HA 1
   ATOM 822 HB2 B PRO A 35 ? -7.54401 23.62700 32.61842 0.299 6.25885 H ? A ? 34 HB2 1
   ATOM 823 HB3 B PRO A 35 ? -7.54139 24.94464 33.50680 0.299 6.25885 H ? A ? 34 HB3 1
   ATOM 824 HG2 B PRO A 35 ? -9.78660 23.58858 32.48057 0.299 5.52452 H ? A ? 34 HG2 1
   ATOM 825 HG3 B PRO A 35 ? -9.59645 24.12980 33.96257 0.299 5.52452 H ? A ? 34 HG3 1
   ATOM 826 HD2 B PRO A 35 ? -11.00199 25.46916 32.36577 0.299 5.58193 H ? A ? 34 HD2 1
   ATOM 827 HD3 B PRO A 35 ? -10.03467 26.24662 33.35838 0.299 5.58193 H ? A ? 34 HD3 1
   ATOM 828 N . TYR A 36 ? -6.57827 24.62898 29.75747 1.000 6.06913 N ? A ? 35 N 1
   ATOM 829 CA . TYR A 36 ? -6.20203 23.80955 28.59079 1.000 6.42602 C ? A ? 35 CA 1
   ATOM 830 C . TYR A 36 ? -5.73164 22.45176 29.08753 1.000 6.13327 C ? A ? 35 C 1
   ATOM 831 O . TYR A 36 ? -4.67333 22.36815 29.74257 1.000 7.65350 O ? A ? 35 O 1
   ATOM 832 HA . TYR A 36 ? -7.01345 23.76196 28.06141 1.000 7.71123 H ? A ? 35 HA 1
   ATOM 833 CB A TYR A 36 ? -5.13272 24.36647 27.68830 0.705 6.69372 C ? A ? 35 CB 1
   ATOM 834 CG A TYR A 36 ? -4.70285 23.47840 26.52302 0.705 6.69081 C ? A ? 35 CG 1
   ATOM 835 CD1 A TYR A 36 ? -5.62093 22.79098 25.71452 0.705 4.82762 C ? A ? 35 CD1 1
   ATOM 836 CD2 A TYR A 36 ? -3.36007 23.21655 26.31413 0.705 6.63939 C ? A ? 35 CD2 1
   ATOM 837 CE1 A TYR A 36 ? -5.20281 22.01647 24.67090 0.705 5.73332 C ? A ? 35 CE1 1
   ATOM 838 CE2 A TYR A 36 ? -2.92027 22.44225 25.26524 0.705 7.09077 C ? A ? 35 CE2 1
   ATOM 839 CZ A TYR A 36 ? -3.84767 21.80977 24.43642 0.705 5.95945 C ? A ? 35 CZ 1
   ATOM 840 OH A TYR A 36 ? -3.40587 20.98392 23.41128 0.705 7.86482 O ? A ? 35 OH 1
   ATOM 841 H A TYR A 36 ? -5.89714 24.98570 30.14271 0.701 7.28296 H ? A ? 35 H 1
   ATOM 842 HB2 A TYR A 36 ? -5.46007 25.19689 27.30863 0.705 8.03246 H ? A ? 35 HB2 1
   ATOM 843 HB3 A TYR A 36 ? -4.34251 24.53573 28.22478 0.705 8.03246 H ? A ? 35 HB3 1
   ATOM 844 HD1 A TYR A 36 ? -6.53072 22.86434 25.89284 0.705 5.79314 H ? A ? 35 HD1 1
   ATOM 845 HD2 A TYR A 36 ? -2.73486 23.57551 26.90164 0.705 7.96727 H ? A ? 35 HD2 1
   ATOM 846 HE1 A TYR A 36 ? -5.83155 21.62248 24.11022 0.705 6.87998 H ? A ? 35 HE1 1
   ATOM 847 HE2 A TYR A 36 ? -2.00904 22.34089 25.10939 0.705 8.50892 H ? A ? 35 HE2 1
   ATOM 848 HH A TYR A 36 ? -2.71115 21.30374 23.06389 0.705 9.43778 H ? A ? 35 HH 1
   ATOM 849 CB B TYR A 36 ? -5.12989 24.56011 27.78495 0.295 6.75635 C ? A ? 35 CB 1
   ATOM 850 CG B TYR A 36 ? -4.60919 23.75122 26.65024 0.295 6.36167 C ? A ? 35 CG 1
   ATOM 851 CD1 B TYR A 36 ? -5.42810 23.44584 25.57075 0.295 5.73548 C ? A ? 35 CD1 1
   ATOM 852 CD2 B TYR A 36 ? -3.29424 23.27060 26.68139 0.295 7.83989 C ? A ? 35 CD2 1
   ATOM 853 CE1 B TYR A 36 ? -4.95292 22.65433 24.54523 0.295 7.49195 C ? A ? 35 CE1 1
   ATOM 854 CE2 B TYR A 36 ? -2.79297 22.48055 25.65490 0.295 7.09481 C ? A ? 35 CE2 1
   ATOM 855 CZ B TYR A 36 ? -3.60637 22.16974 24.57839 0.295 7.68803 C ? A ? 35 CZ 1
   ATOM 856 OH B TYR A 36 ? -3.10073 21.34718 23.59225 0.295 7.66648 O ? A ? 35 OH 1
   ATOM 857 H B TYR A 36 ? -5.95759 25.14259 30.05840 0.299 7.28296 H ? A ? 35 H 1
   ATOM 858 HB2 B TYR A 36 ? -5.51521 25.37404 27.42449 0.295 8.10761 H ? A ? 35 HB2 1
   ATOM 859 HB3 B TYR A 36 ? -4.38617 24.77556 28.36921 0.295 8.10761 H ? A ? 35 HB3 1
   ATOM 860 HD1 B TYR A 36 ? -6.29730 23.77506 25.53912 0.295 6.88258 H ? A ? 35 HD1 1
   ATOM 861 HD2 B TYR A 36 ? -2.74686 23.48422 27.40225 0.295 9.40787 H ? A ? 35 HD2 1
   ATOM 862 HE1 B TYR A 36 ? -5.50799 22.43550 23.83185 0.295 8.99034 H ? A ? 35 HE1 1
   ATOM 863 HE2 B TYR A 36 ? -1.91944 22.16338 25.69032 0.295 8.51378 H ? A ? 35 HE2 1
   ATOM 864 HH B TYR A 36 ? -2.56822 21.77674 23.10489 0.295 9.19977 H ? A ? 35 HH 1
   ATOM 865 N . ASP A 37 ? -6.49160 21.39335 28.79266 1.000 6.86943 N ? A ? 36 N 1
   ATOM 866 CA . ASP A 37 ? -6.13947 20.00402 29.08967 1.000 7.05293 C ? A ? 36 CA 1
   ATOM 867 C . ASP A 37 ? -5.98691 19.34381 27.72182 1.000 7.02357 C ? A ? 36 C 1
   ATOM 868 O . ASP A 37 ? -6.96821 19.15800 26.97047 1.000 6.98219 O ? A ? 36 O 1
   ATOM 869 H . ASP A 37 ? -7.25412 21.45970 28.40054 1.000 8.24332 H ? A ? 36 H 1
   ATOM 870 HA . ASP A 37 ? -5.31242 19.90655 29.58705 1.000 8.46352 H ? A ? 36 HA 1
   ATOM 871 CB A ASP A 37 ? -7.24540 19.35095 29.92464 0.253 7.47980 C ? A ? 36 CB 1
   ATOM 872 CG A ASP A 37 ? -6.97339 17.90655 30.28043 0.253 7.81076 C ? A ? 36 CG 1
   ATOM 873 OD1 A ASP A 37 ? -6.81731 17.06812 29.36135 0.253 6.86153 O ? A ? 36 OD1 1
   ATOM 874 OD2 A ASP A 37 ? -7.06866 17.55695 31.52767 0.253 7.68125 O ? A ? 36 OD2 1
   ATOM 875 HB2 A ASP A 37 ? -7.34333 19.84544 30.75337 0.253 8.97576 H ? A ? 36 HB2 1
   ATOM 876 HB3 A ASP A 37 ? -8.07406 19.37971 29.42125 0.253 8.97576 H ? A ? 36 HB3 1
   ATOM 877 CB B ASP A 37 ? -7.26971 19.37752 29.92059 0.747 7.45116 C ? A ? 36 CB 1
   ATOM 878 CG B ASP A 37 ? -7.15036 17.92966 30.14619 0.747 7.53739 C ? A ? 36 CG 1
   ATOM 879 OD1 B ASP A 37 ? -6.49762 17.17303 29.38956 0.747 8.48019 O ? A ? 36 OD1 1
   ATOM 880 OD2 B ASP A 37 ? -7.79319 17.45296 31.19734 0.747 8.77790 O ? A ? 36 OD2 1
   ATOM 881 HB2 B ASP A 37 ? -7.28474 19.80605 30.79066 0.747 8.94139 H ? A ? 36 HB2 1
   ATOM 882 HB3 B ASP A 37 ? -8.10990 19.53081 29.46072 0.747 8.94139 H ? A ? 36 HB3 1
   ATOM 883 N A ALA A 38 ? -4.75306 19.03701 27.32539 0.617 7.24829 N ? A ? 37 N 1
   ATOM 884 CA A ALA A 38 ? -4.45753 18.53797 25.96895 0.617 7.18628 C ? A ? 37 CA 1
   ATOM 885 C A ALA A 38 ? -5.28927 17.30486 25.63179 0.617 6.52542 C ? A ? 37 C 1
   ATOM 886 O A ALA A 38 ? -5.80480 17.19774 24.51958 0.617 6.51634 O ? A ? 37 O 1
   ATOM 887 CB A ALA A 38 ? -2.96138 18.27603 25.78999 0.617 8.15856 C ? A ? 37 CB 1
   ATOM 888 H A ALA A 38 ? -4.05509 19.10694 27.82293 0.617 8.69795 H ? A ? 37 H 1
   ATOM 889 HA A ALA A 38 ? -4.69652 19.23241 25.33529 0.617 8.62354 H ? A ? 37 HA 1
   ATOM 890 HB1 A ALA A 38 ? -2.80469 17.93932 24.89390 0.617 9.79027 H ? A ? 37 HB1 1
   ATOM 891 HB2 A ALA A 38 ? -2.47753 19.10654 25.92058 0.617 9.79027 H ? A ? 37 HB2 1
   ATOM 892 HB3 A ALA A 38 ? -2.67511 17.61998 26.44462 0.617 9.79027 H ? A ? 37 HB3 1
   ATOM 893 N B ALA A 38 ? -4.73736 19.09355 27.33457 0.383 7.23685 N ? A ? 37 N 1
   ATOM 894 CA B ALA A 38 ? -4.44104 18.61989 25.98092 0.383 7.17418 C ? A ? 37 CA 1
   ATOM 895 C B ALA A 38 ? -5.16474 17.31782 25.71221 0.383 6.38665 C ? A ? 37 C 1
   ATOM 896 O B ALA A 38 ? -5.64131 17.07967 24.60414 0.383 6.52369 O ? A ? 37 O 1
   ATOM 897 CB B ALA A 38 ? -2.94559 18.45604 25.80191 0.383 8.15348 C ? A ? 37 CB 1
   ATOM 898 H B ALA A 38 ? -4.04310 19.18884 27.83309 0.383 8.68422 H ? A ? 37 H 1
   ATOM 899 HA B ALA A 38 ? -4.74010 19.27730 25.33341 0.383 8.60902 H ? A ? 37 HA 1
   ATOM 900 HB1 B ALA A 38 ? -2.76949 18.11767 24.91006 0.383 9.78418 H ? A ? 37 HB1 1
   ATOM 901 HB2 B ALA A 38 ? -2.51716 19.31837 25.91909 0.383 9.78418 H ? A ? 37 HB2 1
   ATOM 902 HB3 B ALA A 38 ? -2.61496 17.82963 26.46462 0.383 9.78418 H ? A ? 37 HB3 1
   ATOM 903 N A ALA A 39 ? -5.34090 16.30388 26.53323 0.617 7.33359 N ? A ? 38 N 1
   ATOM 904 CA A ALA A 39 ? -6.06857 15.05929 26.22534 0.617 7.14517 C ? A ? 38 CA 1
   ATOM 905 C A ALA A 39 ? -7.56567 15.30508 26.00616 0.617 6.97846 C ? A ? 38 C 1
   ATOM 906 O A ALA A 39 ? -8.18971 14.69810 25.12267 0.617 7.57453 O ? A ? 38 O 1
   ATOM 907 CB A ALA A 39 ? -5.84521 14.05491 27.34810 0.617 8.02482 C ? A ? 38 CB 1
   ATOM 908 H A ALA A 39 ? -4.97223 16.32076 27.31002 0.617 8.80031 H ? A ? 38 H 1
   ATOM 909 HA A ALA A 39 ? -5.71803 14.68850 25.40039 0.617 8.57420 H ? A ? 38 HA 1
   ATOM 910 HB1 A ALA A 39 ? -6.32868 13.23936 27.14308 0.617 9.62978 H ? A ? 38 HB1 1
   ATOM 911 HB2 A ALA A 39 ? -4.89619 13.86764 27.42013 0.617 9.62978 H ? A ? 38 HB2 1
   ATOM 912 HB3 A ALA A 39 ? -6.17182 14.43292 28.17957 0.617 9.62978 H ? A ? 38 HB3 1
   ATOM 913 N B ALA A 39 ? -5.25490 16.44129 26.71148 0.383 7.24379 N ? A ? 38 N 1
   ATOM 914 CA B ALA A 39 ? -5.98825 15.19952 26.49915 0.383 6.46167 C ? A ? 38 CA 1
   ATOM 915 C B ALA A 39 ? -7.47918 15.44830 26.30230 0.383 6.35914 C ? A ? 38 C 1
   ATOM 916 O B ALA A 39 ? -8.12432 14.76133 25.49273 0.383 6.21270 O ? A ? 38 O 1
   ATOM 917 CB B ALA A 39 ? -5.78075 14.27490 27.69664 0.383 7.15703 C ? A ? 38 CB 1
   ATOM 918 H B ALA A 39 ? -4.91219 16.53911 27.49416 0.383 8.69255 H ? A ? 38 H 1
   ATOM 919 HA B ALA A 39 ? -5.64372 14.77342 25.69875 0.383 7.75400 H ? A ? 38 HA 1
   ATOM 920 HB1 B ALA A 39 ? -6.25580 13.44382 27.53997 0.383 8.58843 H ? A ? 38 HB1 1
   ATOM 921 HB2 B ALA A 39 ? -4.83231 14.09944 27.79954 0.383 8.58843 H ? A ? 38 HB2 1
   ATOM 922 HB3 B ALA A 39 ? -6.12540 14.70779 28.49333 0.383 8.58843 H ? A ? 38 HB3 1
   ATOM 923 N A GLN A 40 ? -8.14505 16.19941 26.79314 0.617 7.43908 N ? A ? 39 N 1
   ATOM 924 CA A GLN A 40 ? -9.55396 16.53339 26.64377 0.617 6.98517 C ? A ? 39 CA 1
   ATOM 925 C A GLN A 40 ? -9.84778 17.14065 25.27863 0.617 5.97580 C ? A ? 39 C 1
   ATOM 926 O A GLN A 40 ? -10.78878 16.73333 24.58620 0.617 6.81355 O ? A ? 39 O 1
   ATOM 927 CB A GLN A 40 ? -9.95978 17.53071 27.76088 0.617 7.59100 C ? A ? 39 CB 1
   ATOM 928 CG A GLN A 40 ? -11.39134 18.00953 27.67429 0.617 9.50394 C ? A ? 39 CG 1
   ATOM 929 CD A GLN A 40 ? -11.73611 19.19870 28.55581 0.617 8.90659 C ? A ? 39 CD 1
   ATOM 930 OE1 A GLN A 40 ? -10.85768 20.01372 28.93018 0.617 10.99744 O ? A ? 39 OE1 1
   ATOM 931 NE2 A GLN A 40 ? -13.03060 19.31480 28.91745 0.617 10.00982 N ? A ? 39 NE2 1
   ATOM 932 H A GLN A 40 ? -7.74580 16.62852 27.42248 0.617 8.92689 H ? A ? 39 H 1
   ATOM 933 HA A GLN A 40 ? -10.07677 15.72067 26.72773 0.617 8.38220 H ? A ? 39 HA 1
   ATOM 934 HB2 A GLN A 40 ? -9.84636 17.09619 28.62066 0.617 9.10920 H ? A ? 39 HB2 1
   ATOM 935 HB3 A GLN A 40 ? -9.38495 18.31001 27.70462 0.617 9.10920 H ? A ? 39 HB3 1
   ATOM 936 HG2 A GLN A 40 ? -11.57230 18.26822 26.75710 0.617 11.40473 H ? A ? 39 HG2 1
   ATOM 937 HG3 A GLN A 40 ? -11.97433 17.27912 27.93416 0.617 11.40473 H ? A ? 39 HG3 1
   ATOM 938 HE21 A GLN A 40 ? -13.60565 18.73418 28.64951 0.617 12.01178 H ? A ? 39 HE21 1
   ATOM 939 HE22 A GLN A 40 ? -13.28076 19.96944 29.41592 0.617 12.01178 H ? A ? 39 HE22 1
   ATOM 940 N B GLN A 40 ? -8.04667 16.37523 27.06618 0.383 6.33393 N ? A ? 39 N 1
   ATOM 941 CA B GLN A 40 ? -9.46829 16.69735 26.91679 0.383 7.16398 C ? A ? 39 CA 1
   ATOM 942 C B GLN A 40 ? -9.75351 17.15050 25.47925 0.383 6.28886 C ? A ? 39 C 1
   ATOM 943 O B GLN A 40 ? -10.69035 16.67168 24.82626 0.383 6.43557 O ? A ? 39 O 1
   ATOM 944 CB B GLN A 40 ? -9.87808 17.83386 27.88087 0.383 5.94432 C ? A ? 39 CB 1
   ATOM 945 CG B GLN A 40 ? -11.28659 18.29430 27.67577 0.383 9.00317 C ? A ? 39 CG 1
   ATOM 946 CD B GLN A 40 ? -11.69505 19.38015 28.67847 0.383 9.22382 C ? A ? 39 CD 1
   ATOM 947 OE1 B GLN A 40 ? -10.93789 20.30935 28.95444 0.383 9.35101 O ? A ? 39 OE1 1
   ATOM 948 NE2 B GLN A 40 ? -12.86478 19.22184 29.28150 0.383 8.61004 N ? A ? 39 NE2 1
   ATOM 949 H B GLN A 40 ? -7.63976 16.82944 27.67258 0.383 7.60072 H ? A ? 39 H 1
   ATOM 950 HA B GLN A 40 ? -9.98730 15.90718 27.13396 0.383 8.59677 H ? A ? 39 HA 1
   ATOM 951 HB2 B GLN A 40 ? -9.79666 17.51678 28.79396 0.383 7.13318 H ? A ? 39 HB2 1
   ATOM 952 HB3 B GLN A 40 ? -9.29126 18.59323 27.73981 0.383 7.13318 H ? A ? 39 HB3 1
   ATOM 953 HG2 B GLN A 40 ? -11.37443 18.66036 26.78180 0.383 10.80381 H ? A ? 39 HG2 1
   ATOM 954 HG3 B GLN A 40 ? -11.88680 17.54032 27.78599 0.383 10.80381 H ? A ? 39 HG3 1
   ATOM 955 HE21 B GLN A 40 ? -13.35167 18.53599 29.10218 0.383 10.33205 H ? A ? 39 HE21 1
   ATOM 956 HE22 B GLN A 40 ? -13.13681 19.80496 29.85208 0.383 10.33205 H ? A ? 39 HE22 1
   ATOM 957 N A ILE A 41 ? -9.04457 18.12870 24.88033 0.617 6.18143 N ? A ? 40 N 1
   ATOM 958 CA A ILE A 41 ? -9.23264 18.77419 23.59399 0.617 5.53114 C ? A ? 40 CA 1
   ATOM 959 C A ILE A 41 ? -8.98175 17.78025 22.46417 0.617 6.08076 C ? A ? 40 C 1
   ATOM 960 O A ILE A 41 ? -9.70555 17.77329 21.45631 0.617 6.51382 O ? A ? 40 O 1
   ATOM 961 CB A ILE A 41 ? -8.33417 20.02010 23.51737 0.617 5.70768 C ? A ? 40 CB 1
   ATOM 962 CG1 A ILE A 41 ? -8.86694 21.13431 24.46579 0.617 6.06546 C ? A ? 40 CG1 1
   ATOM 963 CG2 A ILE A 41 ? -8.20968 20.50743 22.05617 0.617 7.00606 C ? A ? 40 CG2 1
   ATOM 964 CD1 A ILE A 41 ? -10.22316 21.63670 24.08326 0.617 6.70700 C ? A ? 40 CD1 1
   ATOM 965 H A ILE A 41 ? -8.38657 18.43945 25.33867 0.617 7.41772 H ? A ? 40 H 1
   ATOM 966 HA A ILE A 41 ? -10.15145 19.07127 23.50221 0.617 6.63737 H ? A ? 40 HA 1
   ATOM 967 HB A ILE A 41 ? -7.44354 19.78470 23.82112 0.617 6.84922 H ? A ? 40 HB 1
   ATOM 968 HG12 A ILE A 41 ? -8.92367 20.77904 25.36660 0.617 7.27855 H ? A ? 40 HG12 1
   ATOM 969 HG13 A ILE A 41 ? -8.25346 21.88534 24.44339 0.617 7.27855 H ? A ? 40 HG13 1
   ATOM 970 HG21 A ILE A 41 ? -7.85201 21.40908 22.05337 0.617 8.40727 H ? A ? 40 HG21 1
   ATOM 971 HG22 A ILE A 41 ? -7.61279 19.91330 21.57489 0.617 8.40727 H ? A ? 40 HG22 1
   ATOM 972 HG23 A ILE A 41 ? -9.08792 20.49868 21.64445 0.617 8.40727 H ? A ? 40 HG23 1
   ATOM 973 HD11 A ILE A 41 ? -10.41509 22.44285 24.58742 0.617 8.04839 H ? A ? 40 HD11 1
   ATOM 974 HD12 A ILE A 41 ? -10.23149 21.83102 23.13296 0.617 8.04839 H ? A ? 40 HD12 1
   ATOM 975 HD13 A ILE A 41 ? -10.88177 20.95438 24.28714 0.617 8.04839 H ? A ? 40 HD13 1
   ATOM 976 N B ILE A 41 ? -8.88916 18.03794 24.95081 0.383 6.02280 N ? A ? 40 N 1
   ATOM 977 CA B ILE A 41 ? -9.06768 18.61283 23.62608 0.383 5.86787 C ? A ? 40 CA 1
   ATOM 978 C B ILE A 41 ? -8.80144 17.57478 22.55637 0.383 5.64687 C ? A ? 40 C 1
   ATOM 979 O B ILE A 41 ? -9.52210 17.53785 21.56208 0.383 5.48265 O ? A ? 40 O 1
   ATOM 980 CB B ILE A 41 ? -8.17076 19.85070 23.44907 0.383 5.49273 C ? A ? 40 CB 1
   ATOM 981 CG1 B ILE A 41 ? -8.61669 20.94290 24.43961 0.383 6.69363 C ? A ? 40 CG1 1
   ATOM 982 CG2 B ILE A 41 ? -8.27265 20.41290 22.00128 0.383 7.03316 C ? A ? 40 CG2 1
   ATOM 983 CD1 B ILE A 41 ? -10.15667 21.34009 24.36274 0.383 7.34036 C ? A ? 40 CD1 1
   ATOM 984 H B ILE A 41 ? -8.18376 18.32162 25.35272 0.383 7.22736 H ? A ? 40 H 1
   ATOM 985 HA B ILE A 41 ? -9.99029 18.90016 23.54166 0.383 7.04145 H ? A ? 40 HA 1
   ATOM 986 HB B ILE A 41 ? -7.25271 19.58776 23.61919 0.383 6.59128 H ? A ? 40 HB 1
   ATOM 987 HG12 B ILE A 41 ? -8.44304 20.62855 25.34069 0.383 8.03235 H ? A ? 40 HG12 1
   ATOM 988 HG13 B ILE A 41 ? -8.10120 21.74541 24.26310 0.383 8.03235 H ? A ? 40 HG13 1
   ATOM 989 HG21 B ILE A 41 ? -7.90856 21.31184 21.98523 0.383 8.43979 H ? A ? 40 HG21 1
   ATOM 990 HG22 B ILE A 41 ? -7.76657 19.84033 21.40383 0.383 8.43979 H ? A ? 40 HG22 1
   ATOM 991 HG23 B ILE A 41 ? -9.20483 20.42874 21.73353 0.383 8.43979 H ? A ? 40 HG23 1
   ATOM 992 HD11 B ILE A 41 ? -10.30143 22.14557 24.88346 0.383 8.80844 H ? A ? 40 HD11 1
   ATOM 993 HD12 B ILE A 41 ? -10.39628 21.49773 23.43611 0.383 8.80844 H ? A ? 40 HD12 1
   ATOM 994 HD13 B ILE A 41 ? -10.68862 20.61331 24.72291 0.383 8.80844 H ? A ? 40 HD13 1
   ATOM 995 N A LYS A 42 ? -7.94820 16.92002 22.57386 0.617 6.58845 N ? A ? 41 N 1
   ATOM 996 CA A LYS A 42 ? -7.68085 15.91194 21.54124 0.617 6.49241 C ? A ? 41 CA 1
   ATOM 997 C A LYS A 42 ? -8.88391 14.97756 21.37740 0.617 7.14247 C ? A ? 41 C 1
   ATOM 998 O A LYS A 42 ? -9.31334 14.71586 20.24598 0.617 7.22129 O ? A ? 41 O 1
   ATOM 999 CB A LYS A 42 ? -6.44418 15.07012 21.84221 0.617 7.42797 C ? A ? 41 CB 1
   ATOM 1000 CG A LYS A 42 ? -6.05936 14.05212 20.79884 0.617 7.27606 C ? A ? 41 CG 1
   ATOM 1001 CD A LYS A 42 ? -4.82502 13.22568 21.15941 0.617 10.83346 C ? A ? 41 CD 1
   ATOM 1002 CE A LYS A 42 ? -4.60270 12.12923 20.16274 0.617 9.97312 C ? A ? 41 CE 1
   ATOM 1003 NZ A LYS A 42 ? -3.39510 11.29527 20.43022 0.617 14.91649 N ? A ? 41 NZ 1
   ATOM 1004 H A LYS A 42 ? -7.39492 16.90337 23.23204 0.617 7.90615 H ? A ? 41 H 1
   ATOM 1005 HA A LYS A 42 ? -7.50705 16.39709 20.71946 0.617 7.79090 H ? A ? 41 HA 1
   ATOM 1006 HB2 A LYS A 42 ? -5.68910 15.66979 21.94783 0.617 8.91356 H ? A ? 41 HB2 1
   ATOM 1007 HB3 A LYS A 42 ? -6.60182 14.58650 22.66814 0.617 8.91356 H ? A ? 41 HB3 1
   ATOM 1008 HG2 A LYS A 42 ? -6.79928 13.43702 20.67606 0.617 8.73128 H ? A ? 41 HG2 1
   ATOM 1009 HG3 A LYS A 42 ? -5.87081 14.51449 19.96723 0.617 8.73128 H ? A ? 41 HG3 1
   ATOM 1010 HD2 A LYS A 42 ? -4.04255 13.79892 21.16470 0.617 13.00015 H ? A ? 41 HD2 1
   ATOM 1011 HD3 A LYS A 42 ? -4.94863 12.82495 22.03407 0.617 13.00015 H ? A ? 41 HD3 1
   ATOM 1012 HE2 A LYS A 42 ? -5.37366 11.54063 20.17113 0.617 11.96775 H ? A ? 41 HE2 1
   ATOM 1013 HE3 A LYS A 42 ? -4.49715 12.52517 19.28354 0.617 11.96775 H ? A ? 41 HE3 1
   ATOM 1014 HZ1 A LYS A 42 ? -3.50512 10.48144 20.08718 0.617 17.89979 H ? A ? 41 HZ1 1
   ATOM 1015 HZ2 A LYS A 42 ? -2.67801 11.67033 20.05980 0.617 17.89979 H ? A ? 41 HZ2 1
   ATOM 1016 HZ3 A LYS A 42 ? -3.26293 11.22352 21.30742 0.617 17.89979 H ? A ? 41 HZ3 1
   ATOM 1017 N B LYS A 42 ? -7.77975 16.72244 22.70458 0.383 6.13239 N ? A ? 41 N 1
   ATOM 1018 CA B LYS A 42 ? -7.51025 15.72795 21.68243 0.383 5.50593 C ? A ? 41 CA 1
   ATOM 1019 C B LYS A 42 ? -8.75218 14.84958 21.44836 0.383 7.05830 C ? A ? 41 C 1
   ATOM 1020 O B LYS A 42 ? -9.10807 14.53120 20.31245 0.383 6.38138 O ? A ? 41 O 1
   ATOM 1021 CB B LYS A 42 ? -6.32209 14.88642 22.08227 0.383 7.65303 C ? A ? 41 CB 1
   ATOM 1022 CG B LYS A 42 ? -6.07457 13.75497 21.13383 0.383 6.53986 C ? A ? 41 CG 1
   ATOM 1023 CD B LYS A 42 ? -4.80049 12.97186 21.48477 0.383 8.99391 C ? A ? 41 CD 1
   ATOM 1024 CE B LYS A 42 ? -4.55148 11.84026 20.51238 0.383 10.72424 C ? A ? 41 CE 1
   ATOM 1025 NZ B LYS A 42 ? -3.27735 11.10523 20.82299 0.383 13.08434 N ? A ? 41 NZ 1
   ATOM 1026 H B LYS A 42 ? -7.24307 16.70545 23.37635 0.383 7.35886 H ? A ? 41 H 1
   ATOM 1027 HA B LYS A 42 ? -7.28806 16.17103 20.84864 0.383 6.60711 H ? A ? 41 HA 1
   ATOM 1028 HB2 B LYS A 42 ? -5.52941 15.44528 22.09791 0.383 9.18364 H ? A ? 41 HB2 1
   ATOM 1029 HB3 B LYS A 42 ? -6.48147 14.51201 22.96280 0.383 9.18364 H ? A ? 41 HB3 1
   ATOM 1030 HG2 B LYS A 42 ? -6.82500 13.14125 21.16717 0.383 7.84784 H ? A ? 41 HG2 1
   ATOM 1031 HG3 B LYS A 42 ? -5.97431 14.10796 20.23592 0.383 7.84784 H ? A ? 41 HG3 1
   ATOM 1032 HD2 B LYS A 42 ? -4.03810 13.57086 21.45531 0.383 10.79270 H ? A ? 41 HD2 1
   ATOM 1033 HD3 B LYS A 42 ? -4.89141 12.59406 22.37353 0.383 10.79270 H ? A ? 41 HD3 1
   ATOM 1034 HE2 B LYS A 42 ? -5.28601 11.20867 20.56194 0.383 12.86908 H ? A ? 41 HE2 1
   ATOM 1035 HE3 B LYS A 42 ? -4.48315 12.19983 19.61408 0.383 12.86908 H ? A ? 41 HE3 1
   ATOM 1036 HZ1 B LYS A 42 ? -2.64870 11.32246 20.23163 0.383 15.70120 H ? A ? 41 HZ1 1
   ATOM 1037 HZ2 B LYS A 42 ? -2.99318 11.31989 21.63863 0.383 15.70120 H ? A ? 41 HZ2 1
   ATOM 1038 HZ3 B LYS A 42 ? -3.41623 10.22685 20.78739 0.383 15.70120 H ? A ? 41 HZ3 1
   ATOM 1039 N . ALA A 43 ? -9.44688 14.48850 22.50847 1.000 6.90616 N ? A ? 42 N 1
   ATOM 1040 CA . ALA A 43 ? -10.64656 13.62863 22.40570 1.000 8.77620 C ? A ? 42 CA 1
   ATOM 1041 C . ALA A 43 ? -11.79712 14.37777 21.77248 1.000 7.21083 C ? A ? 42 C 1
   ATOM 1042 O . ALA A 43 ? -12.51240 13.82308 20.92321 1.000 7.97674 O ? A ? 42 O 1
   ATOM 1043 CB . ALA A 43 ? -10.98068 13.04937 23.78594 1.000 9.72863 C ? A ? 42 CB 1
   ATOM 1044 HA . ALA A 43 ? -10.47113 12.86995 21.82731 1.000 10.53144 H ? A ? 42 HA 1
   ATOM 1045 HB1 . ALA A 43 ? -11.76186 12.47956 23.70862 1.000 11.67436 H ? A ? 42 HB1 1
   ATOM 1046 HB2 . ALA A 43 ? -10.22390 12.53194 24.10290 1.000 11.67436 H ? A ? 42 HB2 1
   ATOM 1047 HB3 . ALA A 43 ? -11.16267 13.77878 24.39892 1.000 11.67436 H ? A ? 42 HB3 1
   ATOM 1048 H A ALA A 43 ? -9.16577 14.63372 23.30814 0.617 8.28739 H ? A ? 42 H 1
   ATOM 1049 H B ALA A 43 ? -9.25731 14.72090 23.31447 0.383 8.28739 H ? A ? 42 H 1
   ATOM 1050 N . ASN A 44 ? -12.01405 15.64970 22.15499 1.000 7.58310 N ? A ? 43 N 1
   ATOM 1051 CA . ASN A 44 ? -13.13229 16.39710 21.57213 1.000 6.73473 C ? A ? 43 CA 1
   ATOM 1052 C . ASN A 44 ? -12.92880 16.64250 20.09113 1.000 6.37711 C ? A ? 43 C 1
   ATOM 1053 O . ASN A 44 ? -13.87905 16.54560 19.31998 1.000 7.11180 O ? A ? 43 O 1
   ATOM 1054 CB . ASN A 44 ? -13.33027 17.71607 22.30324 1.000 6.49897 C ? A ? 43 CB 1
   ATOM 1055 CG . ASN A 44 ? -14.55775 18.44883 21.75868 1.000 6.45703 C ? A ? 43 CG 1
   ATOM 1056 OD1 . ASN A 44 ? -15.69943 17.90521 21.87262 1.000 7.74681 O ? A ? 43 OD1 1
   ATOM 1057 ND2 . ASN A 44 ? -14.36646 19.54586 21.09047 1.000 6.42455 N ? A ? 43 ND2 1
   ATOM 1058 H . ASN A 44 ? -11.54342 16.08349 22.72939 1.000 9.09973 H ? A ? 43 H 1
   ATOM 1059 HA . ASN A 44 ? -13.94045 15.87205 21.68214 1.000 8.08167 H ? A ? 43 HA 1
   ATOM 1060 HB2 . ASN A 44 ? -13.46480 17.54662 23.24881 1.000 7.79876 H ? A ? 43 HB2 1
   ATOM 1061 HB3 . ASN A 44 ? -12.55097 18.27916 22.17470 1.000 7.79876 H ? A ? 43 HB3 1
   ATOM 1062 HD21 . ASN A 44 ? -15.03836 19.97854 20.77275 1.000 7.70946 H ? A ? 43 HD21 1
   ATOM 1063 HD22 . ASN A 44 ? -13.56789 19.83965 20.96570 1.000 7.70946 H ? A ? 43 HD22 1
   ATOM 1064 N A VAL A 45 ? -11.71840 17.00250 19.61052 0.590 6.76274 N ? A ? 44 N 1
   ATOM 1065 CA A VAL A 45 ? -11.52932 17.31045 18.18257 0.590 6.58174 C ? A ? 44 CA 1
   ATOM 1066 C A VAL A 45 ? -11.70643 16.07103 17.30037 0.590 5.87554 C ? A ? 44 C 1
   ATOM 1067 O A VAL A 45 ? -12.18374 16.15748 16.18928 0.590 6.93949 O ? A ? 44 O 1
   ATOM 1068 CB A VAL A 45 ? -10.18170 18.02307 17.97309 0.590 6.42947 C ? A ? 44 CB 1
   ATOM 1069 CG1 A VAL A 45 ? -9.80523 18.11418 16.47033 0.590 7.03196 C ? A ? 44 CG1 1
   ATOM 1070 CG2 A VAL A 45 ? -10.25805 19.39167 18.69777 0.590 6.29433 C ? A ? 44 CG2 1
   ATOM 1071 H A VAL A 45 ? -11.00460 17.07381 20.08487 0.590 8.11529 H ? A ? 44 H 1
   ATOM 1072 HA A VAL A 45 ? -12.22644 17.92538 17.90549 0.590 7.89808 H ? A ? 44 HA 1
   ATOM 1073 HB A VAL A 45 ? -9.44966 17.51784 18.36006 0.590 7.71537 H ? A ? 44 HB 1
   ATOM 1074 HG11 A VAL A 45 ? -9.04208 18.70466 16.37119 0.590 8.43835 H ? A ? 44 HG11 1
   ATOM 1075 HG12 A VAL A 45 ? -9.58174 17.22758 16.14644 0.590 8.43835 H ? A ? 44 HG12 1
   ATOM 1076 HG13 A VAL A 45 ? -10.56204 18.46591 15.97593 0.590 8.43835 H ? A ? 44 HG13 1
   ATOM 1077 HG21 A VAL A 45 ? -9.41574 19.85831 18.58090 0.590 7.55320 H ? A ? 44 HG21 1
   ATOM 1078 HG22 A VAL A 45 ? -10.98075 19.91243 18.31383 0.590 7.55320 H ? A ? 44 HG22 1
   ATOM 1079 HG23 A VAL A 45 ? -10.42431 19.24052 19.64139 0.590 7.55320 H ? A ? 44 HG23 1
   ATOM 1080 N B VAL A 45 ? -11.65350 16.83928 19.73102 0.410 6.22364 N ? A ? 44 N 1
   ATOM 1081 CA B VAL A 45 ? -11.32510 16.99752 18.34695 0.410 5.29968 C ? A ? 44 CA 1
   ATOM 1082 C B VAL A 45 ? -11.47475 15.68060 17.57756 0.410 4.89508 C ? A ? 44 C 1
   ATOM 1083 O B VAL A 45 ? -11.95305 15.72867 16.42809 0.410 4.59590 O ? A ? 44 O 1
   ATOM 1084 CB B VAL A 45 ? -9.99900 17.74362 18.18246 0.410 5.44018 C ? A ? 44 CB 1
   ATOM 1085 CG1 B VAL A 45 ? -9.63233 17.81301 16.68500 0.410 7.43804 C ? A ? 44 CG1 1
   ATOM 1086 CG2 B VAL A 45 ? -10.06618 19.17319 18.69142 0.410 6.66072 C ? A ? 44 CG2 1
   ATOM 1087 H B VAL A 45 ? -10.98587 16.88158 20.27146 0.410 7.46837 H ? A ? 44 H 1
   ATOM 1088 HA B VAL A 45 ? -11.97445 17.58097 17.92408 0.410 6.35962 H ? A ? 44 HA 1
   ATOM 1089 HB B VAL A 45 ? -9.33506 17.25934 18.69778 0.410 6.52822 H ? A ? 44 HB 1
   ATOM 1090 HG11 B VAL A 45 ? -8.89816 18.43610 16.56818 0.410 8.92564 H ? A ? 44 HG11 1
   ATOM 1091 HG12 B VAL A 45 ? -9.36781 16.92985 16.38339 0.410 8.92564 H ? A ? 44 HG12 1
   ATOM 1092 HG13 B VAL A 45 ? -10.40592 18.11566 16.18414 0.410 8.92564 H ? A ? 44 HG13 1
   ATOM 1093 HG21 B VAL A 45 ? -9.22753 19.61860 18.49352 0.410 7.99286 H ? A ? 44 HG21 1
   ATOM 1094 HG22 B VAL A 45 ? -10.79701 19.63209 18.24849 0.410 7.99286 H ? A ? 44 HG22 1
   ATOM 1095 HG23 B VAL A 45 ? -10.21590 19.16052 19.64972 0.410 7.99286 H ? A ? 44 HG23 1
   ATOM 1096 N A GLU A 46 ? -11.44434 14.88169 17.83241 0.590 7.03805 N ? A ? 45 N 1
   ATOM 1097 CA A GLU A 46 ? -11.77046 13.62300 17.12400 0.590 8.43123 C ? A ? 45 CA 1
   ATOM 1098 C A GLU A 46 ? -13.27174 13.47394 16.87981 0.590 7.09001 C ? A ? 45 C 1
   ATOM 1099 O A GLU A 46 ? -13.70450 13.10800 15.79352 0.590 7.40352 O ? A ? 45 O 1
   ATOM 1100 CB A GLU A 46 ? -11.17386 12.42135 17.88972 0.590 8.02390 C ? A ? 45 CB 1
   ATOM 1101 CG A GLU A 46 ? -9.61075 12.19719 17.93069 0.590 11.39009 C ? A ? 45 CG 1
   ATOM 1102 CD A GLU A 46 ? -8.97989 11.37491 19.15330 0.590 15.52082 C ? A ? 45 CD 1
   ATOM 1103 OE1 A GLU A 46 ? -9.63101 11.14567 20.19171 0.590 15.16503 O ? A ? 45 OE1 1
   ATOM 1104 OE2 A GLU A 46 ? -7.77947 10.98245 19.04003 0.590 16.89981 O ? A ? 45 OE2 1
   ATOM 1105 H A GLU A 46 ? -11.07833 14.76287 18.60151 0.590 8.44566 H ? A ? 45 H 1
   ATOM 1106 HA A GLU A 46 ? -11.35736 13.63623 16.24647 0.590 10.11748 H ? A ? 45 HA 1
   ATOM 1107 HB2 A GLU A 46 ? -11.45668 12.50246 18.81402 0.590 9.62868 H ? A ? 45 HB2 1
   ATOM 1108 HB3 A GLU A 46 ? -11.54907 11.61754 17.49728 0.590 9.62868 H ? A ? 45 HB3 1
   ATOM 1109 HG2 A GLU A 46 ? -9.36237 11.72057 17.12320 0.590 13.66811 H ? A ? 45 HG2 1
   ATOM 1110 HG3 A GLU A 46 ? -9.19017 13.07119 17.94271 0.590 13.66811 H ? A ? 45 HG3 1
   ATOM 1111 N B GLU A 46 ? -11.18653 14.51459 18.21038 0.410 3.48393 N ? A ? 45 N 1
   ATOM 1112 CA B GLU A 46 ? -11.53598 13.25775 17.52408 0.410 4.48793 C ? A ? 45 CA 1
   ATOM 1113 C B GLU A 46 ? -13.02613 13.11522 17.28891 0.410 4.79882 C ? A ? 45 C 1
   ATOM 1114 O B GLU A 46 ? -13.43640 12.59975 16.21584 0.410 4.62497 O ? A ? 45 O 1
   ATOM 1115 CB B GLU A 46 ? -11.02228 12.11368 18.34614 0.410 5.74326 C ? A ? 45 CB 1
   ATOM 1116 CG B GLU A 46 ? -9.51306 11.99018 18.20987 0.410 9.05534 C ? A ? 45 CG 1
   ATOM 1117 CD B GLU A 46 ? -8.99212 10.68727 18.62796 0.410 18.89059 C ? A ? 45 CD 1
   ATOM 1118 OE1 B GLU A 46 ? -9.78484 9.81979 19.03544 0.410 20.04894 O ? A ? 45 OE1 1
   ATOM 1119 OE2 B GLU A 46 ? -7.75157 10.54367 18.58179 0.410 18.75962 O ? A ? 45 OE2 1
   ATOM 1120 H B GLU A 46 ? -10.81536 14.43609 18.98217 0.410 4.18071 H ? A ? 45 H 1
   ATOM 1121 HA B GLU A 46 ? -11.11631 13.24317 16.64969 0.410 5.38551 H ? A ? 45 HA 1
   ATOM 1122 HB2 B GLU A 46 ? -11.23712 12.26400 19.28002 0.410 6.89191 H ? A ? 45 HB2 1
   ATOM 1123 HB3 B GLU A 46 ? -11.42890 11.28758 18.04097 0.410 6.89191 H ? A ? 45 HB3 1
   ATOM 1124 HG2 B GLU A 46 ? -9.27099 12.12168 17.27981 0.410 10.86641 H ? A ? 45 HG2 1
   ATOM 1125 HG3 B GLU A 46 ? -9.09250 12.66842 18.76124 0.410 10.86641 H ? A ? 45 HG3 1
   ATOM 1126 N A VAL A 47 ? -14.08755 13.81035 17.87276 0.590 7.52525 N ? A ? 46 N 1
   ATOM 1127 CA A VAL A 47 ? -15.54862 13.75825 17.66878 0.590 8.06500 C ? A ? 46 CA 1
   ATOM 1128 C A VAL A 47 ? -15.93195 14.81257 16.65221 0.590 7.78457 C ? A ? 46 C 1
   ATOM 1129 O A VAL A 47 ? -16.71696 14.61836 15.67624 0.590 6.75751 O ? A ? 46 O 1
   ATOM 1130 CB A VAL A 47 ? -16.20450 13.97224 19.05255 0.590 8.48255 C ? A ? 46 CB 1
   ATOM 1131 CG1 A VAL A 47 ? -17.62690 13.98531 18.90728 0.590 7.71096 C ? A ? 46 CG1 1
   ATOM 1132 CG2 A VAL A 47 ? -15.87102 12.87526 20.19284 0.590 10.00751 C ? A ? 46 CG2 1
   ATOM 1133 H A VAL A 47 ? -13.83768 14.06603 18.65493 0.590 9.03030 H ? A ? 46 H 1
   ATOM 1134 HA A VAL A 47 ? -15.84673 12.90523 17.31611 0.590 9.67800 H ? A ? 46 HA 1
   ATOM 1135 HB A VAL A 47 ? -15.82923 14.81170 19.36138 0.590 10.17906 H ? A ? 46 HB 1
   ATOM 1136 HG11 A VAL A 47 ? -18.03452 13.94654 19.78663 0.590 9.25315 H ? A ? 46 HG11 1
   ATOM 1137 HG12 A VAL A 47 ? -17.89078 14.80244 18.45611 0.590 9.25315 H ? A ? 46 HG12 1
   ATOM 1138 HG13 A VAL A 47 ? -17.89787 13.21559 18.38286 0.590 9.25315 H ? A ? 46 HG13 1
   ATOM 1139 HG21 A VAL A 47 ? -16.40411 13.06630 20.98037 0.590 12.00902 H ? A ? 46 HG21 1
   ATOM 1140 HG22 A VAL A 47 ? -16.08613 11.99217 19.85403 0.590 12.00902 H ? A ? 46 HG22 1
   ATOM 1141 HG23 A VAL A 47 ? -14.92743 12.92459 20.41218 0.590 12.00902 H ? A ? 46 HG23 1
   ATOM 1142 N B VAL A 47 ? -13.88233 13.55492 18.22822 0.410 4.41506 N ? A ? 46 N 1
   ATOM 1143 CA B VAL A 47 ? -15.33638 13.59243 17.96321 0.410 5.27482 C ? A ? 46 CA 1
   ATOM 1144 C B VAL A 47 ? -15.70130 14.56088 16.82297 0.410 5.90088 C ? A ? 46 C 1
   ATOM 1145 O B VAL A 47 ? -16.41569 14.12705 15.89417 0.410 4.28926 O ? A ? 46 O 1
   ATOM 1146 CB B VAL A 47 ? -16.17453 13.98926 19.17204 0.410 8.34168 C ? A ? 46 CB 1
   ATOM 1147 CG1 B VAL A 47 ? -17.69095 14.32644 18.74336 0.410 8.18294 C ? A ? 46 CG1 1
   ATOM 1148 CG2 B VAL A 47 ? -16.10247 12.95311 20.15261 0.410 10.13321 C ? A ? 46 CG2 1
   ATOM 1149 H B VAL A 47 ? -13.65453 13.83131 19.01009 0.410 5.29808 H ? A ? 46 H 1
   ATOM 1150 HA B VAL A 47 ? -15.53667 12.67582 17.71702 0.410 6.32978 H ? A ? 46 HA 1
   ATOM 1151 HB B VAL A 47 ? -15.82289 14.80232 19.56725 0.410 10.01001 H ? A ? 46 HB 1
   ATOM 1152 HG11 B VAL A 47 ? -18.24597 14.35060 19.53851 0.410 9.81953 H ? A ? 46 HG11 1
   ATOM 1153 HG12 B VAL A 47 ? -17.70954 15.18932 18.30065 0.410 9.81953 H ? A ? 46 HG12 1
   ATOM 1154 HG13 B VAL A 47 ? -18.00883 13.63762 18.13889 0.410 9.81953 H ? A ? 46 HG13 1
   ATOM 1155 HG21 B VAL A 47 ? -16.60630 13.22405 20.93597 0.410 12.15986 H ? A ? 46 HG21 1
   ATOM 1156 HG22 B VAL A 47 ? -16.47985 12.14026 19.78145 0.410 12.15986 H ? A ? 46 HG22 1
   ATOM 1157 HG23 B VAL A 47 ? -15.17347 12.80777 20.39080 0.410 12.15986 H ? A ? 46 HG23 1
   ATOM 1158 N . LEU A 48 ? -15.25120 15.91265 16.80533 1.000 7.67740 N ? A ? 47 N 1
   ATOM 1159 CA . LEU A 48 ? -15.52571 16.91000 15.79443 1.000 8.30653 C ? A ? 47 CA 1
   ATOM 1160 C . LEU A 48 ? -15.09192 16.46226 14.39960 1.000 7.65613 C ? A ? 47 C 1
   ATOM 1161 O . LEU A 48 ? -15.77833 16.74034 13.41588 1.000 8.36157 O ? A ? 47 O 1
   ATOM 1162 CB . LEU A 48 ? -14.85263 18.25278 16.15836 1.000 7.86824 C ? A ? 47 CB 1
   ATOM 1163 CG . LEU A 48 ? -15.02056 19.37844 15.18579 1.000 7.87427 C ? A ? 47 CG 1
   ATOM 1164 CD1 . LEU A 48 ? -16.47217 19.80408 14.93286 1.000 8.30143 C ? A ? 47 CD1 1
   ATOM 1165 CD2 . LEU A 48 ? -14.15995 20.59228 15.65914 1.000 8.72008 C ? A ? 47 CD2 1
   ATOM 1166 HA . LEU A 48 ? -16.48592 17.04581 15.77316 1.000 9.96783 H ? A ? 47 HA 1
   ATOM 1167 HB2 . LEU A 48 ? -15.22033 18.55197 17.00463 1.000 9.44189 H ? A ? 47 HB2 1
   ATOM 1168 HB3 . LEU A 48 ? -13.89973 18.09512 16.24786 1.000 9.44189 H ? A ? 47 HB3 1
   ATOM 1169 HG . LEU A 48 ? -14.71436 19.05775 14.32306 1.000 9.44912 H ? A ? 47 HG 1
   ATOM 1170 HD11 . LEU A 48 ? -16.47700 20.57838 14.34861 1.000 9.96172 H ? A ? 47 HD11 1
   ATOM 1171 HD12 . LEU A 48 ? -16.94793 19.07021 14.51338 1.000 9.96172 H ? A ? 47 HD12 1
   ATOM 1172 HD13 . LEU A 48 ? -16.88825 20.02660 15.78037 1.000 9.96172 H ? A ? 47 HD13 1
   ATOM 1173 HD21 . LEU A 48 ? -14.29231 21.33169 15.04542 1.000 10.46410 H ? A ? 47 HD21 1
   ATOM 1174 HD22 . LEU A 48 ? -14.43998 20.84901 16.55165 1.000 10.46410 H ? A ? 47 HD22 1
   ATOM 1175 HD23 . LEU A 48 ? -13.22538 20.33263 15.66756 1.000 10.46410 H ? A ? 47 HD23 1
   ATOM 1176 H A LEU A 48 ? -14.67976 16.09615 17.42127 0.590 9.21288 H ? A ? 47 H 1
   ATOM 1177 H B LEU A 48 ? -14.75957 16.24276 17.42897 0.410 9.21288 H ? A ? 47 H 1
   ATOM 1178 N A LYS A 49 ? -13.93434 15.76849 14.30321 0.424 7.48226 N ? A ? 48 N 1
   ATOM 1179 CA A LYS A 49 ? -13.41064 15.17271 13.03855 0.424 8.35041 C ? A ? 48 CA 1
   ATOM 1180 C A LYS A 49 ? -14.57069 14.44478 12.27613 0.424 7.79827 C ? A ? 48 C 1
   ATOM 1181 O A LYS A 49 ? -14.95744 14.69180 11.10172 0.424 7.81552 O ? A ? 48 O 1
   ATOM 1182 CB A LYS A 49 ? -12.17325 14.22695 13.36935 0.424 6.75261 C ? A ? 48 CB 1
   ATOM 1183 CG A LYS A 49 ? -11.62289 13.53222 12.14656 0.424 6.97659 C ? A ? 48 CG 1
   ATOM 1184 CD A LYS A 49 ? -10.38531 12.64784 12.42967 0.424 9.36981 C ? A ? 48 CD 1
   ATOM 1185 CE A LYS A 49 ? -10.02121 11.87691 11.21442 0.424 11.17049 C ? A ? 48 CE 1
   ATOM 1186 NZ A LYS A 49 ? -8.91099 10.95060 11.50906 0.424 17.64941 N ? A ? 48 NZ 1
   ATOM 1187 H A LYS A 49 ? -13.41409 15.62109 14.97195 0.424 8.97872 H ? A ? 48 H 1
   ATOM 1188 HA A LYS A 49 ? -13.06873 15.85767 12.44288 0.424 10.02049 H ? A ? 48 HA 1
   ATOM 1189 HB2 A LYS A 49 ? -11.46229 14.76159 13.75612 0.424 8.10313 H ? A ? 48 HB2 1
   ATOM 1190 HB3 A LYS A 49 ? -12.45647 13.54592 13.99934 0.424 8.10313 H ? A ? 48 HB3 1
   ATOM 1191 HG2 A LYS A 49 ? -12.31358 12.96160 11.77476 0.424 8.37190 H ? A ? 48 HG2 1
   ATOM 1192 HG3 A LYS A 49 ? -11.36230 14.20392 11.49710 0.424 8.37190 H ? A ? 48 HG3 1
   ATOM 1193 HD2 A LYS A 49 ? -9.63370 13.20793 12.67925 0.424 11.24377 H ? A ? 48 HD2 1
   ATOM 1194 HD3 A LYS A 49 ? -10.58617 12.02411 13.14487 0.424 11.24377 H ? A ? 48 HD3 1
   ATOM 1195 HE2 A LYS A 49 ? -10.78553 11.35972 10.91571 0.424 13.40459 H ? A ? 48 HE2 1
   ATOM 1196 HE3 A LYS A 49 ? -9.73904 12.48636 10.51452 0.424 13.40459 H ? A ? 48 HE3 1
   ATOM 1197 HZ1 A LYS A 49 ? -9.09761 10.14073 11.19065 0.424 21.17929 H ? A ? 48 HZ1 1
   ATOM 1198 HZ2 A LYS A 49 ? -8.16099 11.24411 11.13030 0.424 21.17929 H ? A ? 48 HZ2 1
   ATOM 1199 HZ3 A LYS A 49 ? -8.78729 10.89370 12.38859 0.424 21.17929 H ? A ? 48 HZ3 1
   ATOM 1200 N B LYS A 49 ? -13.95808 15.81050 14.29803 0.576 7.46748 N ? A ? 48 N 1
   ATOM 1201 CA B LYS A 49 ? -13.52271 15.26147 13.01891 0.576 8.48602 C ? A ? 48 CA 1
   ATOM 1202 C B LYS A 49 ? -14.52393 14.24094 12.48539 0.576 7.68270 C ? A ? 48 C 1
   ATOM 1203 O B LYS A 49 ? -14.90568 14.37435 11.31882 0.576 7.06598 O ? A ? 48 O 1
   ATOM 1204 CB B LYS A 49 ? -12.18981 14.57905 13.13706 0.576 9.62552 C ? A ? 48 CB 1
   ATOM 1205 CG B LYS A 49 ? -11.73583 13.90158 11.83480 0.576 10.85474 C ? A ? 48 CG 1
   ATOM 1206 CD B LYS A 49 ? -10.51488 13.01438 12.09599 0.576 11.00373 C ? A ? 48 CD 1
   ATOM 1207 CE B LYS A 49 ? -9.97948 12.33697 10.85038 0.576 16.53004 C ? A ? 48 CE 1
   ATOM 1208 NZ B LYS A 49 ? -8.94019 11.28637 11.10463 0.576 28.50469 N ? A ? 48 NZ 1
   ATOM 1209 H B LYS A 49 ? -13.41498 15.66691 14.94920 0.576 8.96098 H ? A ? 48 H 1
   ATOM 1210 HA B LYS A 49 ? -13.44316 16.00998 12.40711 0.576 10.18322 H ? A ? 48 HA 1
   ATOM 1211 HB2 B LYS A 49 ? -11.52055 15.23814 13.37912 0.576 11.55063 H ? A ? 48 HB2 1
   ATOM 1212 HB3 B LYS A 49 ? -12.24687 13.89648 13.82389 0.576 11.55063 H ? A ? 48 HB3 1
   ATOM 1213 HG2 B LYS A 49 ? -12.45293 13.34793 11.48820 0.576 13.02568 H ? A ? 48 HG2 1
   ATOM 1214 HG3 B LYS A 49 ? -11.49394 14.57774 11.18273 0.576 13.02568 H ? A ? 48 HG3 1
   ATOM 1215 HD2 B LYS A 49 ? -9.80344 13.56113 12.46452 0.576 13.20447 H ? A ? 48 HD2 1
   ATOM 1216 HD3 B LYS A 49 ? -10.76116 12.32056 12.72754 0.576 13.20447 H ? A ? 48 HD3 1
   ATOM 1217 HE2 B LYS A 49 ? -10.71847 11.91000 10.38942 0.576 19.83604 H ? A ? 48 HE2 1
   ATOM 1218 HE3 B LYS A 49 ? -9.57826 13.01157 10.28044 0.576 19.83604 H ? A ? 48 HE3 1
   ATOM 1219 HZ1 B LYS A 49 ? -8.32644 11.30313 10.46033 0.576 34.20563 H ? A ? 48 HZ1 1
   ATOM 1220 HZ2 B LYS A 49 ? -8.54212 11.43495 11.88666 0.576 34.20563 H ? A ? 48 HZ2 1
   ATOM 1221 HZ3 B LYS A 49 ? -9.31908 10.48123 11.12175 0.576 34.20563 H ? A ? 48 HZ3 1
   ATOM 1222 N A THR A 50 ? -15.24223 13.61610 13.02258 0.424 5.57776 N ? A ? 49 N 1
   ATOM 1223 CA A THR A 50 ? -16.32190 12.76720 12.48648 0.424 4.75593 C ? A ? 49 CA 1
   ATOM 1224 C A THR A 50 ? -17.55166 13.55909 12.05209 0.424 5.23211 C ? A ? 49 C 1
   ATOM 1225 O A THR A 50 ? -18.07720 13.36239 10.93863 0.424 5.93206 O ? A ? 49 O 1
   ATOM 1226 CB A THR A 50 ? -16.72861 11.76534 13.58556 0.424 6.47090 C ? A ? 49 CB 1
   ATOM 1227 OG1 A THR A 50 ? -15.62136 10.91072 13.89199 0.424 8.50840 O ? A ? 49 OG1 1
   ATOM 1228 CG2 A THR A 50 ? -18.00366 10.94071 13.19408 0.424 5.54195 C ? A ? 49 CG2 1
   ATOM 1229 H A THR A 50 ? -15.10707 13.50656 13.86480 0.424 6.69331 H ? A ? 49 H 1
   ATOM 1230 HA A THR A 50 ? -15.98649 12.31075 11.69905 0.424 5.70712 H ? A ? 49 HA 1
   ATOM 1231 HB A THR A 50 ? -16.97063 12.25438 14.38754 0.424 7.76507 H ? A ? 49 HB 1
   ATOM 1232 HG1 A THR A 50 ? -15.48095 10.38256 13.25408 0.424 10.21008 H ? A ? 49 HG1 1
   ATOM 1233 HG21 A THR A 50 ? -18.11151 10.18969 13.79843 0.424 6.65034 H ? A ? 49 HG21 1
   ATOM 1234 HG22 A THR A 50 ? -18.79197 11.50341 13.24740 0.424 6.65034 H ? A ? 49 HG22 1
   ATOM 1235 HG23 A THR A 50 ? -17.91677 10.60565 12.28795 0.424 6.65034 H ? A ? 49 HG23 1
   ATOM 1236 N B THR A 50 ? -15.01823 13.27053 13.29012 0.576 5.95782 N ? A ? 49 N 1
   ATOM 1237 CA B THR A 50 ? -16.08065 12.39952 12.76552 0.576 5.16630 C ? A ? 49 CA 1
   ATOM 1238 C B THR A 50 ? -17.29527 13.22800 12.34067 0.576 4.27623 C ? A ? 49 C 1
   ATOM 1239 O B THR A 50 ? -17.85215 13.01669 11.23650 0.576 5.81121 O ? A ? 49 O 1
   ATOM 1240 CB B THR A 50 ? -16.45351 11.40742 13.83917 0.576 6.64822 C ? A ? 49 CB 1
   ATOM 1241 OG1 B THR A 50 ? -15.26983 10.64785 14.13686 0.576 8.98173 O ? A ? 49 OG1 1
   ATOM 1242 CG2 B THR A 50 ? -17.55566 10.46850 13.35944 0.576 7.57772 C ? A ? 49 CG2 1
   ATOM 1243 H B THR A 50 ? -14.76600 13.10994 14.09647 0.576 7.14938 H ? A ? 49 H 1
   ATOM 1244 HA B THR A 50 ? -15.76648 11.91600 11.98552 0.576 6.19956 H ? A ? 49 HA 1
   ATOM 1245 HB B THR A 50 ? -16.78912 11.86040 14.62852 0.576 7.97787 H ? A ? 49 HB 1
   ATOM 1246 HG1 B THR A 50 ? -14.62732 11.16620 14.29207 0.576 10.77807 H ? A ? 49 HG1 1
   ATOM 1247 HG21 B THR A 50 ? -17.63720 9.71558 13.96555 0.576 9.09326 H ? A ? 49 HG21 1
   ATOM 1248 HG22 B THR A 50 ? -18.40269 10.94013 13.32756 0.576 9.09326 H ? A ? 49 HG22 1
   ATOM 1249 HG23 B THR A 50 ? -17.34629 10.13712 12.47217 0.576 9.09326 H ? A ? 49 HG23 1
   ATOM 1250 N A LEU A 51 ? -17.99134 14.48862 12.86032 0.424 4.58965 N ? A ? 50 N 1
   ATOM 1251 CA A LEU A 51 ? -19.18940 15.22803 12.50103 0.424 5.49361 C ? A ? 50 CA 1
   ATOM 1252 C A LEU A 51 ? -18.99977 16.02945 11.23933 0.424 6.39165 C ? A ? 50 C 1
   ATOM 1253 O A LEU A 51 ? -19.94316 16.18748 10.47100 0.424 6.05124 O ? A ? 50 O 1
   ATOM 1254 CB A LEU A 51 ? -19.55223 16.12784 13.69596 0.424 5.48647 C ? A ? 50 CB 1
   ATOM 1255 CG A LEU A 51 ? -20.00604 15.40251 14.97947 0.424 4.75569 C ? A ? 50 CG 1
   ATOM 1256 CD1 A LEU A 51 ? -19.98876 16.38816 16.15968 0.424 5.67477 C ? A ? 50 CD1 1
   ATOM 1257 CD2 A LEU A 51 ? -21.36969 14.75584 14.86952 0.424 7.07111 C ? A ? 50 CD2 1
   ATOM 1258 H A LEU A 51 ? -17.62941 14.71248 13.60765 0.424 5.50758 H ? A ? 50 H 1
   ATOM 1259 HA A LEU A 51 ? -19.92281 14.61902 12.32182 0.424 6.59233 H ? A ? 50 HA 1
   ATOM 1260 HB2 A LEU A 51 ? -18.77071 16.65457 13.92547 0.424 6.58377 H ? A ? 50 HB2 1
   ATOM 1261 HB3 A LEU A 51 ? -20.27787 16.71166 13.42485 0.424 6.58377 H ? A ? 50 HB3 1
   ATOM 1262 HG A LEU A 51 ? -19.38122 14.67662 15.13308 0.424 5.70683 H ? A ? 50 HG 1
   ATOM 1263 HD11 A LEU A 51 ? -20.24064 15.91632 16.96889 0.424 6.80972 H ? A ? 50 HD11 1
   ATOM 1264 HD12 A LEU A 51 ? -19.09470 16.75241 16.25385 0.424 6.80972 H ? A ? 50 HD12 1
   ATOM 1265 HD13 A LEU A 51 ? -20.62030 17.10299 15.98341 0.424 6.80972 H ? A ? 50 HD13 1
   ATOM 1266 HD21 A LEU A 51 ? -21.55451 14.26759 15.68705 0.424 8.48533 H ? A ? 50 HD21 1
   ATOM 1267 HD22 A LEU A 51 ? -22.03745 15.44718 14.73897 0.424 8.48533 H ? A ? 50 HD22 1
   ATOM 1268 HD23 A LEU A 51 ? -21.37087 14.14787 14.11369 0.424 8.48533 H ? A ? 50 HD23 1
   ATOM 1269 N B LEU A 51 ? -17.78283 14.09723 13.26218 0.576 5.25347 N ? A ? 50 N 1
   ATOM 1270 CA B LEU A 51 ? -19.00535 14.85757 13.02717 0.576 5.89388 C ? A ? 50 CA 1
   ATOM 1271 C B LEU A 51 ? -18.89395 15.80920 11.83192 0.576 6.41935 C ? A ? 50 C 1
   ATOM 1272 O B LEU A 51 ? -19.86918 16.04285 11.08907 0.576 6.95128 O ? A ? 50 O 1
   ATOM 1273 CB B LEU A 51 ? -19.38532 15.65342 14.28122 0.576 6.41567 C ? A ? 50 CB 1
   ATOM 1274 CG B LEU A 51 ? -19.72955 14.83701 15.48068 0.576 5.77146 C ? A ? 50 CG 1
   ATOM 1275 CD1 B LEU A 51 ? -20.02773 15.78187 16.68731 0.576 6.22165 C ? A ? 50 CD1 1
   ATOM 1276 CD2 B LEU A 51 ? -20.96528 13.89453 15.18729 0.576 7.72941 C ? A ? 50 CD2 1
   ATOM 1277 H B LEU A 51 ? -17.41636 14.25479 14.02407 0.576 6.30416 H ? A ? 50 H 1
   ATOM 1278 HA B LEU A 51 ? -19.71076 14.22070 12.83303 0.576 7.07266 H ? A ? 50 HA 1
   ATOM 1279 HB2 B LEU A 51 ? -18.63470 16.21872 14.52184 0.576 7.69881 H ? A ? 50 HB2 1
   ATOM 1280 HB3 B LEU A 51 ? -20.15870 16.20018 14.07185 0.576 7.69881 H ? A ? 50 HB3 1
   ATOM 1281 HG B LEU A 51 ? -18.97930 14.26624 15.70927 0.576 6.92575 H ? A ? 50 HG 1
   ATOM 1282 HD11 B LEU A 51 ? -20.23711 15.24296 17.46618 0.576 7.46598 H ? A ? 50 HD11 1
   ATOM 1283 HD12 B LEU A 51 ? -19.24461 16.32668 16.86284 0.576 7.46598 H ? A ? 50 HD12 1
   ATOM 1284 HD13 B LEU A 51 ? -20.78240 16.34931 16.46511 0.576 7.46598 H ? A ? 50 HD13 1
   ATOM 1285 HD21 B LEU A 51 ? -21.24379 13.47214 16.01489 0.576 9.27529 H ? A ? 50 HD21 1
   ATOM 1286 HD22 B LEU A 51 ? -21.69110 14.42818 14.82770 0.576 9.27529 H ? A ? 50 HD22 1
   ATOM 1287 HD23 B LEU A 51 ? -20.70118 13.21871 14.54354 0.576 9.27529 H ? A ? 50 HD23 1
   ATOM 1288 N A SER A 52 ? -17.83478 16.66786 11.11699 0.424 7.00075 N ? A ? 51 N 1
   ATOM 1289 CA A SER A 52 ? -17.55733 17.54088 9.98078 0.424 5.58113 C ? A ? 51 CA 1
   ATOM 1290 C A SER A 52 ? -17.46169 16.82103 8.65264 0.424 6.30309 C ? A ? 51 C 1
   ATOM 1291 O A SER A 52 ? -17.48313 17.52026 7.64143 0.424 7.42201 O ? A ? 51 O 1
   ATOM 1292 CB A SER A 52 ? -16.28014 18.34187 10.20425 0.424 6.62189 C ? A ? 51 CB 1
   ATOM 1293 OG A SER A 52 ? -16.43214 19.17150 11.28927 0.424 8.46680 O ? A ? 51 OG 1
   ATOM 1294 H A SER A 52 ? -17.18792 16.61090 11.68085 0.424 8.40090 H ? A ? 51 H 1
   ATOM 1295 HA A SER A 52 ? -18.29904 18.16337 9.92354 0.424 6.69736 H ? A ? 51 HA 1
   ATOM 1296 HB2 A SER A 52 ? -15.54480 17.73123 10.36945 0.424 7.94627 H ? A ? 51 HB2 1
   ATOM 1297 HB3 A SER A 52 ? -16.09647 18.87684 9.41622 0.424 7.94627 H ? A ? 51 HB3 1
   ATOM 1298 HG A SER A 52 ? -15.71479 19.58174 11.43998 0.424 10.16016 H ? A ? 51 HG 1
   ATOM 1299 N B SER A 52 ? -17.68516 16.35429 11.58251 0.576 5.88425 N ? A ? 51 N 1
   ATOM 1300 CA B SER A 52 ? -17.46503 17.38451 10.57902 0.576 6.48163 C ? A ? 51 CA 1
   ATOM 1301 C B SER A 52 ? -17.65229 16.85787 9.16900 0.576 6.75093 C ? A ? 51 C 1
   ATOM 1302 O B SER A 52 ? -17.79750 17.65257 8.25075 0.576 7.39380 O ? A ? 51 O 1
   ATOM 1303 CB B SER A 52 ? -16.04123 17.95662 10.71880 0.576 7.03575 C ? A ? 51 CB 1
   ATOM 1304 OG B SER A 52 ? -15.03828 17.08470 10.33740 0.576 7.41229 O ? A ? 51 OG 1
   ATOM 1305 H B SER A 52 ? -16.96545 16.13154 11.99725 0.576 7.06111 H ? A ? 51 H 1
   ATOM 1306 HA B SER A 52 ? -18.10196 18.10115 10.72614 0.576 7.77795 H ? A ? 51 HA 1
   ATOM 1307 HB2 B SER A 52 ? -15.97879 18.74984 10.16400 0.576 8.44290 H ? A ? 51 HB2 1
   ATOM 1308 HB3 B SER A 52 ? -15.89997 18.19073 11.64946 0.576 8.44290 H ? A ? 51 HB3 1
   ATOM 1309 HG B SER A 52 ? -14.79497 16.62154 10.99458 0.576 8.89474 H ? A ? 51 HG 1
   ATOM 1310 N A ALA A 53 ? -17.41591 15.48797 8.62197 0.424 6.33642 N ? A ? 52 N 1
   ATOM 1311 CA A ALA A 53 ? -17.59243 14.69797 7.41690 0.424 5.73395 C ? A ? 52 CA 1
   ATOM 1312 C A ALA A 53 ? -19.05593 14.41264 7.10806 0.424 6.77227 C ? A ? 52 C 1
   ATOM 1313 O A ALA A 53 ? -19.30092 13.88471 6.00078 0.424 9.02527 O ? A ? 52 O 1
   ATOM 1314 CB A ALA A 53 ? -16.87336 13.36758 7.63802 0.424 8.24655 C ? A ? 52 CB 1
   ATOM 1315 H A ALA A 53 ? -17.27779 15.00317 9.31874 0.424 7.60371 H ? A ? 52 H 1
   ATOM 1316 HA A ALA A 53 ? -17.21748 15.16128 6.65162 0.424 6.88075 H ? A ? 52 HA 1
   ATOM 1317 HB1 A ALA A 53 ? -16.96772 12.82147 6.84193 0.424 9.89586 H ? A ? 52 HB1 1
   ATOM 1318 HB2 A ALA A 53 ? -15.93475 13.54085 7.81094 0.424 9.89586 H ? A ? 52 HB2 1
   ATOM 1319 HB3 A ALA A 53 ? -17.27185 12.91575 8.39824 0.424 9.89586 H ? A ? 52 HB3 1
   ATOM 1320 N B ALA A 53 ? -17.59873 15.55538 8.94592 0.576 6.78692 N ? A ? 52 N 1
   ATOM 1321 CA B ALA A 53 ? -17.75016 14.96725 7.61948 0.576 7.73068 C ? A ? 52 CA 1
   ATOM 1322 C B ALA A 53 ? -19.21858 14.65312 7.26163 0.576 7.33731 C ? A ? 52 C 1
   ATOM 1323 O B ALA A 53 ? -19.52635 14.39351 6.10404 0.576 8.50676 O ? A ? 52 O 1
   ATOM 1324 CB B ALA A 53 ? -16.90300 13.70308 7.45596 0.576 8.35274 C ? A ? 52 CB 1
   ATOM 1325 H B ALA A 53 ? -17.47187 14.97024 9.56326 0.576 8.14431 H ? A ? 52 H 1
   ATOM 1326 HA B ALA A 53 ? -17.41138 15.60961 6.97644 0.576 9.27681 H ? A ? 52 HA 1
   ATOM 1327 HB1 B ALA A 53 ? -17.01588 13.36162 6.55509 0.576 10.02329 H ? A ? 52 HB1 1
   ATOM 1328 HB2 B ALA A 53 ? -15.97156 13.92483 7.61135 0.576 10.02329 H ? A ? 52 HB2 1
   ATOM 1329 HB3 B ALA A 53 ? -17.19716 13.04028 8.10021 0.576 10.02329 H ? A ? 52 HB3 1
   ATOM 1330 N . LEU A 54 ? -20.06597 14.73630 8.10263 1.000 8.58944 N ? A ? 53 N 1
   ATOM 1331 CA . LEU A 54 ? -21.42588 14.16666 7.95120 1.000 9.40346 C ? A ? 53 CA 1
   ATOM 1332 C . LEU A 54 ? -22.41811 15.06883 7.22362 1.000 9.07892 C ? A ? 53 C 1
   ATOM 1333 O . LEU A 54 ? -23.30145 14.53633 6.51092 1.000 10.19518 O ? A ? 53 O 1
   ATOM 1334 CB . LEU A 54 ? -22.02807 13.76965 9.28898 1.000 11.79384 C ? A ? 53 CB 1
   ATOM 1335 CG . LEU A 54 ? -21.22184 12.71790 10.01286 1.000 10.23531 C ? A ? 53 CG 1
   ATOM 1336 CD1 . LEU A 54 ? -21.87331 12.31579 11.32435 1.000 14.28005 C ? A ? 53 CD1 1
   ATOM 1337 CD2 . LEU A 54 ? -20.97821 11.47665 9.25427 1.000 11.74086 C ? A ? 53 CD2 1
   ATOM 1338 HA . LEU A 54 ? -21.29646 13.38447 7.39234 1.000 11.28415 H ? A ? 53 HA 1
   ATOM 1339 HB2 . LEU A 54 ? -22.07531 14.55450 9.85703 1.000 14.15261 H ? A ? 53 HB2 1
   ATOM 1340 HB3 . LEU A 54 ? -22.91817 13.41439 9.13928 1.000 14.15261 H ? A ? 53 HB3 1
   ATOM 1341 HG . LEU A 54 ? -20.36435 13.14786 10.15694 1.000 12.28237 H ? A ? 53 HG 1
   ATOM 1342 HD11 . LEU A 54 ? -21.30872 11.66582 11.77120 1.000 17.13606 H ? A ? 53 HD11 1
   ATOM 1343 HD12 . LEU A 54 ? -21.97517 13.10363 11.88098 1.000 17.13606 H ? A ? 53 HD12 1
   ATOM 1344 HD13 . LEU A 54 ? -22.74249 11.92707 11.13908 1.000 17.13606 H ? A ? 53 HD13 1
   ATOM 1345 HD21 . LEU A 54 ? -20.61226 10.80716 9.85323 1.000 14.08903 H ? A ? 53 HD21 1
   ATOM 1346 HD22 . LEU A 54 ? -21.81766 11.16408 8.88209 1.000 14.08903 H ? A ? 53 HD22 1
   ATOM 1347 HD23 . LEU A 54 ? -20.34821 11.66144 8.54022 1.000 14.08903 H ? A ? 53 HD23 1
   ATOM 1348 H A LEU A 54 ? -19.94644 15.24042 8.78906 0.424 10.30732 H ? A ? 53 H 1
   ATOM 1349 H B LEU A 54 ? -19.95036 15.13219 8.85729 0.576 10.30732 H ? A ? 53 H 1
   ATOM 1350 N . PRO A 55 ? -22.43692 16.42975 7.39631 1.000 9.46514 N ? A ? 54 N 1
   ATOM 1351 CA . PRO A 55 ? -23.57658 17.15643 6.78345 1.000 9.53388 C ? A ? 54 CA 1
   ATOM 1352 C . PRO A 55 ? -23.64882 17.00913 5.28193 1.000 10.97719 C ? A ? 54 C 1
   ATOM 1353 O . PRO A 55 ? -24.73352 17.12177 4.64466 1.000 10.75631 O ? A ? 54 O 1
   ATOM 1354 CB . PRO A 55 ? -23.35248 18.62073 7.22237 1.000 8.97828 C ? A ? 54 CB 1
   ATOM 1355 CG . PRO A 55 ? -22.51020 18.51026 8.59479 1.000 9.73300 C ? A ? 54 CG 1
   ATOM 1356 CD . PRO A 55 ? -21.61179 17.30039 8.31446 1.000 10.34062 C ? A ? 54 CD 1
   ATOM 1357 HA . PRO A 55 ? -24.41047 16.84477 7.16867 1.000 11.44066 H ? A ? 54 HA 1
   ATOM 1358 HB2 . PRO A 55 ? -22.85066 19.09757 6.54289 1.000 10.77393 H ? A ? 54 HB2 1
   ATOM 1359 HB3 . PRO A 55 ? -24.20610 19.05664 7.37146 1.000 10.77393 H ? A ? 54 HB3 1
   ATOM 1360 HG2 . PRO A 55 ? -21.99042 19.31543 8.74453 1.000 11.67960 H ? A ? 54 HG2 1
   ATOM 1361 HG3 . PRO A 55 ? -23.10030 18.35143 9.34809 1.000 11.67960 H ? A ? 54 HG3 1
   ATOM 1362 HD2 . PRO A 55 ? -20.79191 17.57784 7.87661 1.000 12.40875 H ? A ? 54 HD2 1
   ATOM 1363 HD3 . PRO A 55 ? -21.40566 16.82998 9.13734 1.000 12.40875 H ? A ? 54 HD3 1
   ATOM 1364 N . TRP A 56 ? -22.49238 16.89229 4.61156 1.000 10.58332 N ? A ? 55 N 1
   ATOM 1365 CA . TRP A 56 ? -22.39589 17.30697 3.20335 1.000 10.80992 C ? A ? 55 CA 1
   ATOM 1366 C . TRP A 56 ? -23.12567 16.36118 2.23657 1.000 8.43613 C ? A ? 55 C 1
   ATOM 1367 O . TRP A 56 ? -23.75600 16.82112 1.27404 1.000 8.82931 O ? A ? 55 O 1
   ATOM 1368 H . TRP A 56 ? -21.76180 16.58173 4.94233 1.000 12.69998 H ? A ? 55 H 1
   ATOM 1369 HA . TRP A 56 ? -22.85775 18.14995 3.07314 1.000 12.97190 H ? A ? 55 HA 1
   ATOM 1370 CB A TRP A 56 ? -20.90727 17.54369 2.86637 0.734 10.43528 C ? A ? 55 CB 1
   ATOM 1371 CG A TRP A 56 ? -20.22599 18.22689 4.06737 0.734 8.88305 C ? A ? 55 CG 1
   ATOM 1372 CD1 A TRP A 56 ? -19.15267 17.73864 4.75033 0.734 7.16570 C ? A ? 55 CD1 1
   ATOM 1373 CD2 A TRP A 56 ? -20.62819 19.46328 4.67882 0.734 8.24374 C ? A ? 55 CD2 1
   ATOM 1374 NE1 A TRP A 56 ? -18.87131 18.57649 5.76273 0.734 8.32048 N ? A ? 55 NE1 1
   ATOM 1375 CE2 A TRP A 56 ? -19.73520 19.66374 5.76546 0.734 6.79186 C ? A ? 55 CE2 1
   ATOM 1376 CE3 A TRP A 56 ? -21.65701 20.42824 4.41551 0.734 9.30492 C ? A ? 55 CE3 1
   ATOM 1377 CZ2 A TRP A 56 ? -19.89629 20.72007 6.64680 0.734 8.78737 C ? A ? 55 CZ2 1
   ATOM 1378 CZ3 A TRP A 56 ? -21.80198 21.50112 5.27706 0.734 8.77378 C ? A ? 55 CZ3 1
   ATOM 1379 CH2 A TRP A 56 ? -20.94340 21.64485 6.38976 0.734 7.82450 C ? A ? 55 CH2 1
   ATOM 1380 HB2 A TRP A 56 ? -20.46857 16.69590 2.69403 0.734 12.52233 H ? A ? 55 HB2 1
   ATOM 1381 HB3 A TRP A 56 ? -20.83182 18.12015 2.08990 0.734 12.52233 H ? A ? 55 HB3 1
   ATOM 1382 HD1 A TRP A 56 ? -18.69179 16.95625 4.54940 0.734 8.59884 H ? A ? 55 HD1 1
   ATOM 1383 HE1 A TRP A 56 ? -18.23961 18.45531 6.33358 0.734 9.98458 H ? A ? 55 HE1 1
   ATOM 1384 HE3 A TRP A 56 ? -22.21658 20.33416 3.67866 0.734 11.16590 H ? A ? 55 HE3 1
   ATOM 1385 HZ2 A TRP A 56 ? -19.33700 20.82059 7.38300 0.734 10.54485 H ? A ? 55 HZ2 1
   ATOM 1386 HZ3 A TRP A 56 ? -22.46837 22.13122 5.12281 0.734 10.52854 H ? A ? 55 HZ3 1
   ATOM 1387 HH2 A TRP A 56 ? -21.06681 22.36257 6.96816 0.734 9.38940 H ? A ? 55 HH2 1
   ATOM 1388 CB B TRP A 56 ? -20.95450 17.39656 2.68607 0.266 10.19258 C ? A ? 55 CB 1
   ATOM 1389 CG B TRP A 56 ? -20.04049 17.96944 3.63500 0.266 8.02779 C ? A ? 55 CG 1
   ATOM 1390 CD1 B TRP A 56 ? -18.96383 17.37357 4.19190 0.266 5.54154 C ? A ? 55 CD1 1
   ATOM 1391 CD2 B TRP A 56 ? -20.22728 19.20590 4.38196 0.266 10.79407 C ? A ? 55 CD2 1
   ATOM 1392 NE1 B TRP A 56 ? -18.40422 18.21424 5.06071 0.266 6.49054 N ? A ? 55 NE1 1
   ATOM 1393 CE2 B TRP A 56 ? -19.15692 19.30737 5.25880 0.266 14.10089 C ? A ? 55 CE2 1
   ATOM 1394 CE3 B TRP A 56 ? -21.14285 20.25677 4.32767 0.266 11.78362 C ? A ? 55 CE3 1
   ATOM 1395 CZ2 B TRP A 56 ? -18.96563 20.36934 6.12850 0.266 14.18533 C ? A ? 55 CZ2 1
   ATOM 1396 CZ3 B TRP A 56 ? -20.96025 21.33643 5.20575 0.266 12.75259 C ? A ? 55 CZ3 1
   ATOM 1397 CH2 B TRP A 56 ? -19.86329 21.38587 6.06894 0.266 14.41792 C ? A ? 55 CH2 1
   ATOM 1398 HB2 B TRP A 56 ? -20.64181 16.50309 2.47432 0.266 12.23110 H ? A ? 55 HB2 1
   ATOM 1399 HB3 B TRP A 56 ? -20.94160 17.95001 1.88956 0.266 12.23110 H ? A ? 55 HB3 1
   ATOM 1400 HD1 B TRP A 56 ? -18.66196 16.51515 3.99986 0.266 6.64985 H ? A ? 55 HD1 1
   ATOM 1401 HE1 B TRP A 56 ? -17.64982 18.07307 5.44872 0.266 7.78865 H ? A ? 55 HE1 1
   ATOM 1402 HE3 B TRP A 56 ? -21.85314 20.24249 3.72752 0.266 14.14035 H ? A ? 55 HE3 1
   ATOM 1403 HZ2 B TRP A 56 ? -18.25362 20.38484 6.72659 0.266 17.02240 H ? A ? 55 HZ2 1
   ATOM 1404 HZ3 B TRP A 56 ? -21.57968 22.03009 5.21293 0.266 15.30311 H ? A ? 55 HZ3 1
   ATOM 1405 HH2 B TRP A 56 ? -19.74550 22.13024 6.61387 0.266 17.30150 H ? A ? 55 HH2 1
   ATOM 1406 N . ALA A 57 ? -23.11548 15.06165 2.49543 1.000 8.02027 N ? A ? 56 N 1
   ATOM 1407 CA . ALA A 57 ? -23.83801 14.15531 1.61366 1.000 8.01607 C ? A ? 56 CA 1
   ATOM 1408 C . ALA A 57 ? -25.35363 14.46770 1.66003 1.000 6.31803 C ? A ? 56 C 1
   ATOM 1409 O . ALA A 57 ? -26.04017 14.27197 0.63040 1.000 7.54121 O ? A ? 56 O 1
   ATOM 1410 CB . ALA A 57 ? -23.64629 12.72440 2.07685 1.000 9.43866 C ? A ? 56 CB 1
   ATOM 1411 H . ALA A 57 ? -22.71027 14.68796 3.15556 1.000 9.62432 H ? A ? 56 H 1
   ATOM 1412 HA . ALA A 57 ? -23.49581 14.25062 0.71104 1.000 9.61928 H ? A ? 56 HA 1
   ATOM 1413 HB1 . ALA A 57 ? -24.11036 12.13008 1.46668 1.000 11.32639 H ? A ? 56 HB1 1
   ATOM 1414 HB2 . ALA A 57 ? -22.69840 12.51854 2.08228 1.000 11.32639 H ? A ? 56 HB2 1
   ATOM 1415 HB3 . ALA A 57 ? -24.01030 12.63046 2.97104 1.000 11.32639 H ? A ? 56 HB3 1
   ATOM 1416 N A ALA A 58 ? -25.87739 14.96011 2.78086 0.480 6.08464 N ? A ? 57 N 1
   ATOM 1417 CA A ALA A 58 ? -27.29013 15.31201 2.93477 0.480 6.32998 C ? A ? 57 CA 1
   ATOM 1418 C A ALA A 58 ? -27.65507 16.66807 2.30514 0.480 5.62151 C ? A ? 57 C 1
   ATOM 1419 O A ALA A 58 ? -28.82943 17.06529 2.34228 0.480 6.69161 O ? A ? 57 O 1
   ATOM 1420 CB A ALA A 58 ? -27.64689 15.23348 4.39990 0.480 6.89369 C ? A ? 57 CB 1
   ATOM 1421 H A ALA A 58 ? -25.41924 15.10560 3.49397 0.480 7.30156 H ? A ? 57 H 1
   ATOM 1422 HA A ALA A 58 ? -27.85097 14.66913 2.47319 0.480 7.59598 H ? A ? 57 HA 1
   ATOM 1423 HB1 A ALA A 58 ? -28.57129 15.50400 4.51478 0.480 8.27243 H ? A ? 57 HB1 1
   ATOM 1424 HB2 A ALA A 58 ? -27.52910 14.32032 4.70511 0.480 8.27243 H ? A ? 57 HB2 1
   ATOM 1425 HB3 A ALA A 58 ? -27.06412 15.82686 4.89908 0.480 8.27243 H ? A ? 57 HB3 1
   ATOM 1426 N B ALA A 58 ? -25.86338 14.95943 2.77643 0.520 6.07438 N ? A ? 57 N 1
   ATOM 1427 CA B ALA A 58 ? -27.27127 15.29547 2.93394 0.520 6.33207 C ? A ? 57 CA 1
   ATOM 1428 C B ALA A 58 ? -27.65368 16.64245 2.30595 0.520 5.64192 C ? A ? 57 C 1
   ATOM 1429 O B ALA A 58 ? -28.84420 16.98796 2.34629 0.520 6.73391 O ? A ? 57 O 1
   ATOM 1430 CB B ALA A 58 ? -27.61897 15.22106 4.39663 0.520 6.84771 C ? A ? 57 CB 1
   ATOM 1431 H B ALA A 58 ? -25.39963 15.11404 3.48399 0.520 7.28926 H ? A ? 57 H 1
   ATOM 1432 HA B ALA A 58 ? -27.82536 14.64454 2.47548 0.520 7.59849 H ? A ? 57 HA 1
   ATOM 1433 HB1 B ALA A 58 ? -28.54946 15.46914 4.51306 0.520 8.21725 H ? A ? 57 HB1 1
   ATOM 1434 HB2 B ALA A 58 ? -27.47690 14.31388 4.70926 0.520 8.21725 H ? A ? 57 HB2 1
   ATOM 1435 HB3 B ALA A 58 ? -27.04941 15.83333 4.88818 0.520 8.21725 H ? A ? 57 HB3 1
   ATOM 1436 N . PHE A 59 ? -26.68472 17.35214 1.71293 1.000 6.07258 N ? A ? 58 N 1
   ATOM 1437 CA . PHE A 59 ? -26.86870 18.52544 0.83984 1.000 6.28633 C ? A ? 58 CA 1
   ATOM 1438 C . PHE A 59 ? -26.58325 18.16751 -0.61613 1.000 6.53028 C ? A ? 58 C 1
   ATOM 1439 O . PHE A 59 ? -26.48866 19.06987 -1.46900 1.000 7.62676 O ? A ? 58 O 1
   ATOM 1440 HA . PHE A 59 ? -27.78097 18.84158 0.93321 1.000 7.54360 H ? A ? 58 HA 1
   ATOM 1441 CB A PHE A 59 ? -25.90834 19.68517 1.26149 0.721 6.68321 C ? A ? 58 CB 1
   ATOM 1442 CG A PHE A 59 ? -26.31480 20.48579 2.50005 0.721 6.52392 C ? A ? 58 CG 1
   ATOM 1443 CD1 A PHE A 59 ? -27.34726 21.44694 2.46293 0.721 7.49408 C ? A ? 58 CD1 1
   ATOM 1444 CD2 A PHE A 59 ? -25.63200 20.30576 3.69281 0.721 6.44297 C ? A ? 58 CD2 1
   ATOM 1445 CE1 A PHE A 59 ? -27.71657 22.17169 3.58829 0.721 7.44345 C ? A ? 58 CE1 1
   ATOM 1446 CE2 A PHE A 59 ? -25.96981 21.09845 4.84064 0.721 7.23244 C ? A ? 58 CE2 1
   ATOM 1447 CZ A PHE A 59 ? -27.01203 22.00776 4.74031 0.721 7.04472 C ? A ? 58 CZ 1
   ATOM 1448 H A PHE A 59 ? -25.85358 17.14986 1.80175 0.480 7.28710 H ? A ? 58 H 1
   ATOM 1449 HB2 A PHE A 59 ? -25.03526 19.30337 1.44273 0.721 8.01985 H ? A ? 58 HB2 1
   ATOM 1450 HB3 A PHE A 59 ? -25.84965 20.31195 0.52352 0.721 8.01985 H ? A ? 58 HB3 1
   ATOM 1451 HD1 A PHE A 59 ? -27.79341 21.59945 1.66131 0.721 8.99290 H ? A ? 58 HD1 1
   ATOM 1452 HD2 A PHE A 59 ? -24.95465 19.67102 3.74936 0.721 7.73156 H ? A ? 58 HD2 1
   ATOM 1453 HE1 A PHE A 59 ? -28.43541 22.76080 3.55488 0.721 8.93214 H ? A ? 58 HE1 1
   ATOM 1454 HE2 A PHE A 59 ? -25.49856 21.00404 5.63683 0.721 8.67892 H ? A ? 58 HE2 1
   ATOM 1455 HZ A PHE A 59 ? -27.23600 22.52089 5.48290 0.721 8.45366 H ? A ? 58 HZ 1
   ATOM 1456 CB B PHE A 59 ? -25.99788 19.67135 1.32254 0.279 6.72088 C ? A ? 58 CB 1
   ATOM 1457 CG B PHE A 59 ? -26.56421 20.44368 2.49800 0.279 6.32818 C ? A ? 58 CG 1
   ATOM 1458 CD1 B PHE A 59 ? -27.66965 21.27344 2.33729 0.279 5.88968 C ? A ? 58 CD1 1
   ATOM 1459 CD2 B PHE A 59 ? -25.96833 20.37279 3.74928 0.279 6.71493 C ? A ? 58 CD2 1
   ATOM 1460 CE1 B PHE A 59 ? -28.15411 22.01570 3.39015 0.279 5.61283 C ? A ? 58 CE1 1
   ATOM 1461 CE2 B PHE A 59 ? -26.46381 21.14664 4.80872 0.279 4.78653 C ? A ? 58 CE2 1
   ATOM 1462 CZ B PHE A 59 ? -27.54178 21.98555 4.59699 0.279 6.80586 C ? A ? 58 CZ 1
   ATOM 1463 H B PHE A 59 ? -25.85134 17.16155 1.80647 0.520 7.28710 H ? A ? 58 H 1
   ATOM 1464 HB2 B PHE A 59 ? -25.13893 19.31246 1.59512 0.279 8.06506 H ? A ? 58 HB2 1
   ATOM 1465 HB3 B PHE A 59 ? -25.87886 20.29756 0.59137 0.279 8.06506 H ? A ? 58 HB3 1
   ATOM 1466 HD1 B PHE A 59 ? -28.08650 21.32712 1.50768 0.279 7.06761 H ? A ? 58 HD1 1
   ATOM 1467 HD2 B PHE A 59 ? -25.23950 19.81140 3.88545 0.279 8.05792 H ? A ? 58 HD2 1
   ATOM 1468 HE1 B PHE A 59 ? -28.91038 22.54372 3.27117 0.279 6.73539 H ? A ? 58 HE1 1
   ATOM 1469 HE2 B PHE A 59 ? -26.06919 21.09565 5.64930 0.279 5.74384 H ? A ? 58 HE2 1
   ATOM 1470 HZ B PHE A 59 ? -27.84724 22.53084 5.28566 0.279 8.16703 H ? A ? 58 HZ 1
   ATOM 1471 N . GLY A 60 ? -26.48042 16.87472 -0.96832 1.000 6.41688 N ? A ? 59 N 1
   ATOM 1472 CA . GLY A 60 ? -26.12672 16.47214 -2.28681 1.000 6.79506 C ? A ? 59 CA 1
   ATOM 1473 C . GLY A 60 ? -27.31725 16.35313 -3.24470 1.000 6.02559 C ? A ? 59 C 1
   ATOM 1474 O . GLY A 60 ? -28.41109 16.89059 -2.99988 1.000 6.70841 O ? A ? 59 O 1
   ATOM 1475 H . GLY A 60 ? -26.61856 16.21694 -0.43181 1.000 7.70025 H ? A ? 59 H 1
   ATOM 1476 HA2 . GLY A 60 ? -25.50842 17.12060 -2.65843 1.000 8.15407 H ? A ? 59 HA2 1
   ATOM 1477 HA3 . GLY A 60 ? -25.68979 15.60713 -2.24497 1.000 8.15407 H ? A ? 59 HA3 1
   ATOM 1478 N . PRO A 61 ? -27.12434 15.67694 -4.37949 1.000 6.31493 N ? A ? 60 N 1
   ATOM 1479 CA . PRO A 61 ? -28.17132 15.60046 -5.40302 1.000 7.03230 C ? A ? 60 CA 1
   ATOM 1480 C . PRO A 61 ? -29.50355 15.15091 -4.84369 1.000 7.57499 C ? A ? 60 C 1
   ATOM 1481 O . PRO A 61 ? -29.61364 14.16811 -4.11292 1.000 8.62292 O ? A ? 60 O 1
   ATOM 1482 CB . PRO A 61 ? -27.57902 14.57680 -6.36087 1.000 7.27566 C ? A ? 60 CB 1
   ATOM 1483 CG . PRO A 61 ? -26.04764 14.80707 -6.28290 1.000 8.33319 C ? A ? 60 CG 1
   ATOM 1484 CD . PRO A 61 ? -25.80070 15.11532 -4.81556 1.000 7.38948 C ? A ? 60 CD 1
   ATOM 1485 HA . PRO A 61 ? -28.30020 16.45731 -5.83902 1.000 8.43876 H ? A ? 60 HA 1
   ATOM 1486 HB2 . PRO A 61 ? -27.81162 13.68010 -6.07323 1.000 8.73079 H ? A ? 60 HB2 1
   ATOM 1487 HB3 . PRO A 61 ? -27.90959 14.73323 -7.25929 1.000 8.73079 H ? A ? 60 HB3 1
   ATOM 1488 HG2 . PRO A 61 ? -25.57377 14.00661 -6.55787 1.000 9.99983 H ? A ? 60 HG2 1
   ATOM 1489 HG3 . PRO A 61 ? -25.79178 15.55410 -6.84627 1.000 9.99983 H ? A ? 60 HG3 1
   ATOM 1490 HD2 . PRO A 61 ? -25.58363 14.30939 -4.32134 1.000 8.86737 H ? A ? 60 HD2 1
   ATOM 1491 HD3 . PRO A 61 ? -25.09235 15.76966 -4.71078 1.000 8.86737 H ? A ? 60 HD3 1
   ATOM 1492 N . GLY A 62 ? -30.58017 15.89409 -5.25043 1.000 6.84236 N ? A ? 61 N 1
   ATOM 1493 CA . GLY A 62 ? -31.88652 15.50684 -4.90679 1.000 8.01009 C ? A ? 61 CA 1
   ATOM 1494 C . GLY A 62 ? -32.35886 15.90959 -3.52656 1.000 7.25440 C ? A ? 61 C 1
   ATOM 1495 O . GLY A 62 ? -33.49508 15.57684 -3.13686 1.000 10.37496 O ? A ? 61 O 1
   ATOM 1496 H . GLY A 62 ? -30.53009 16.61248 -5.72054 1.000 8.21083 H ? A ? 61 H 1
   ATOM 1497 HA2 . GLY A 62 ? -32.49987 15.89696 -5.54905 1.000 9.61211 H ? A ? 61 HA2 1
   ATOM 1498 HA3 . GLY A 62 ? -31.94342 14.54013 -4.96270 1.000 9.61211 H ? A ? 61 HA3 1
   ATOM 1499 N . THR A 63 ? -31.55631 16.63037 -2.74812 1.000 6.31113 N ? A ? 62 N 1
   ATOM 1500 CA . THR A 63 ? -31.88242 17.01765 -1.37323 1.000 6.68138 C ? A ? 62 CA 1
   ATOM 1501 C . THR A 63 ? -32.36890 18.47391 -1.26991 1.000 5.67054 C ? A ? 62 C 1
   ATOM 1502 O . THR A 63 ? -32.43806 19.05212 -0.16047 1.000 6.48725 O ? A ? 62 O 1
   ATOM 1503 CB . THR A 63 ? -30.65482 16.77470 -0.43291 1.000 6.09721 C ? A ? 62 CB 1
   ATOM 1504 OG1 . THR A 63 ? -29.62756 17.67580 -0.71802 1.000 6.61843 O ? A ? 62 OG1 1
   ATOM 1505 CG2 . THR A 63 ? -30.22470 15.31317 -0.43462 1.000 6.88679 C ? A ? 62 CG2 1
   ATOM 1506 H . THR A 63 ? -30.78696 16.91928 -3.00156 1.000 7.57336 H ? A ? 62 H 1
   ATOM 1507 HA . THR A 63 ? -32.60449 16.45045 -1.06052 1.000 8.01765 H ? A ? 62 HA 1
   ATOM 1508 HB . THR A 63 ? -30.90564 16.94979 0.48760 1.000 7.31665 H ? A ? 62 HB 1
   ATOM 1509 HG1 . THR A 63 ? -28.94772 17.49050 -0.26076 1.000 7.94212 H ? A ? 62 HG1 1
   ATOM 1510 HG21 . THR A 63 ? -29.48485 15.18436 0.17931 1.000 8.26415 H ? A ? 62 HG21 1
   ATOM 1511 HG22 . THR A 63 ? -30.96432 14.74936 -0.15897 1.000 8.26415 H ? A ? 62 HG22 1
   ATOM 1512 HG23 . THR A 63 ? -29.94396 15.05101 -1.32533 1.000 8.26415 H ? A ? 62 HG23 1
   ATOM 1513 N . GLU A 64 ? -32.73150 19.06404 -2.41294 1.000 6.08365 N ? A ? 63 N 1
   ATOM 1514 CA . GLU A 64 ? -33.31970 20.40423 -2.47034 1.000 6.64832 C ? A ? 63 CA 1
   ATOM 1515 C . GLU A 64 ? -34.47204 20.52517 -1.48983 1.000 6.80931 C ? A ? 63 C 1
   ATOM 1516 O . GLU A 64 ? -35.31513 19.64280 -1.38175 1.000 8.06719 O ? A ? 63 O 1
   ATOM 1517 CB . GLU A 64 ? -33.89061 20.67105 -3.87598 1.000 6.44667 C ? A ? 63 CB 1
   ATOM 1518 CG . GLU A 64 ? -32.85369 20.96534 -4.97316 1.000 7.14965 C ? A ? 63 CG 1
   ATOM 1519 CD . GLU A 64 ? -32.17568 19.77695 -5.59135 1.000 6.06701 C ? A ? 63 CD 1
   ATOM 1520 OE1 . GLU A 64 ? -32.32077 18.63431 -5.17096 1.000 7.00936 O ? A ? 63 OE1 1
   ATOM 1521 OE2 . GLU A 64 ? -31.49450 20.06879 -6.65843 1.000 6.91887 O ? A ? 63 OE2 1
   ATOM 1522 H . GLU A 64 ? -32.64528 18.70074 -3.18765 1.000 7.30038 H ? A ? 63 H 1
   ATOM 1523 HA . GLU A 64 ? -32.62817 21.05068 -2.25872 1.000 7.97798 H ? A ? 63 HA 1
   ATOM 1524 HB2 . GLU A 64 ? -34.39023 19.88783 -4.15498 1.000 7.73600 H ? A ? 63 HB2 1
   ATOM 1525 HB3 . GLU A 64 ? -34.48025 21.43950 -3.82387 1.000 7.73600 H ? A ? 63 HB3 1
   ATOM 1526 HG2 . GLU A 64 ? -33.30053 21.44184 -5.69022 1.000 8.57958 H ? A ? 63 HG2 1
   ATOM 1527 HG3 . GLU A 64 ? -32.15764 21.52098 -4.58888 1.000 8.57958 H ? A ? 63 HG3 1
   ATOM 1528 N A GLY A 65 ? -34.48922 21.65797 -0.75718 0.545 7.29980 N ? A ? 64 N 1
   ATOM 1529 CA A GLY A 65 ? -35.50875 22.07911 0.17503 0.545 7.58312 C ? A ? 64 CA 1
   ATOM 1530 C A GLY A 65 ? -34.90656 22.60438 1.45402 0.545 6.30452 C ? A ? 64 C 1
   ATOM 1531 O A GLY A 65 ? -33.80882 23.16555 1.44747 0.545 6.62517 O ? A ? 64 O 1
   ATOM 1532 H A GLY A 65 ? -33.85642 22.23882 -0.79938 0.545 8.75975 H ? A ? 64 H 1
   ATOM 1533 HA2 A GLY A 65 ? -36.04475 22.78161 -0.22509 0.545 9.09974 H ? A ? 64 HA2 1
   ATOM 1534 HA3 A GLY A 65 ? -36.08292 21.32746 0.39009 0.545 9.09974 H ? A ? 64 HA3 1
   ATOM 1535 N B GLY A 65 ? -34.50017 21.63383 -0.74857 0.455 7.27129 N ? A ? 64 N 1
   ATOM 1536 CA B GLY A 65 ? -35.53915 21.95078 0.21961 0.455 7.86309 C ? A ? 64 CA 1
   ATOM 1537 C B GLY A 65 ? -34.97315 22.56562 1.47525 0.455 6.36568 C ? A ? 64 C 1
   ATOM 1538 O B GLY A 65 ? -33.78776 22.81176 1.52111 0.455 7.17816 O ? A ? 64 O 1
   ATOM 1539 H B GLY A 65 ? -33.89773 22.24598 -0.79260 0.455 8.72555 H ? A ? 64 H 1
   ATOM 1540 HA2 B GLY A 65 ? -36.16617 22.57753 -0.17400 0.455 9.43571 H ? A ? 64 HA2 1
   ATOM 1541 HA3 B GLY A 65 ? -36.01303 21.13959 0.46108 0.455 9.43571 H ? A ? 64 HA3 1
   ATOM 1542 N A GLY A 66 ? -35.72204 22.46545 2.55294 0.545 6.64311 N ? A ? 65 N 1
   ATOM 1543 CA A GLY A 66 ? -35.32648 23.12073 3.76068 0.545 6.53739 C ? A ? 65 CA 1
   ATOM 1544 C A GLY A 66 ? -35.28352 24.64826 3.59522 0.545 7.84860 C ? A ? 65 C 1
   ATOM 1545 O A GLY A 66 ? -35.93563 25.23886 2.70993 0.545 10.18610 O ? A ? 65 O 1
   ATOM 1546 H A GLY A 66 ? -36.45553 22.01763 2.58539 0.545 7.97173 H ? A ? 65 H 1
   ATOM 1547 HA2 A GLY A 66 ? -35.95595 22.90511 4.46649 0.545 7.84487 H ? A ? 65 HA2 1
   ATOM 1548 HA3 A GLY A 66 ? -34.44358 22.81427 4.02045 0.545 7.84487 H ? A ? 65 HA3 1
   ATOM 1549 N B GLY A 66 ? -35.78704 22.84393 2.47409 0.455 6.23513 N ? A ? 65 N 1
   ATOM 1550 CA B GLY A 66 ? -35.38794 23.48036 3.68327 0.455 5.85762 C ? A ? 65 CA 1
   ATOM 1551 C B GLY A 66 ? -35.20300 24.96381 3.52892 0.455 7.83704 C ? A ? 65 C 1
   ATOM 1552 O B GLY A 66 ? -35.72379 25.59838 2.62049 0.455 10.17105 O ? A ? 65 O 1
   ATOM 1553 H B GLY A 66 ? -36.62670 22.65819 2.46516 0.455 7.48216 H ? A ? 65 H 1
   ATOM 1554 HA2 B GLY A 66 ? -36.06348 23.32768 4.36241 0.455 7.02914 H ? A ? 65 HA2 1
   ATOM 1555 HA3 B GLY A 66 ? -34.54763 23.09916 3.98237 0.455 7.02914 H ? A ? 65 HA3 1
   ATOM 1556 N A ASP A 67 ? -34.53475 25.29210 4.52047 0.545 9.43204 N ? A ? 66 N 1
   ATOM 1557 CA A ASP A 67 ? -34.38974 26.74638 4.68964 0.545 12.02550 C ? A ? 66 CA 1
   ATOM 1558 C A ASP A 67 ? -33.16787 27.35293 3.98238 0.545 10.76144 C ? A ? 66 C 1
   ATOM 1559 O A ASP A 67 ? -33.05344 28.59105 3.93598 0.545 13.12282 O ? A ? 66 O 1
   ATOM 1560 CB A ASP A 67 ? -34.34841 27.11625 6.21221 0.545 13.17400 C ? A ? 66 CB 1
   ATOM 1561 CG A ASP A 67 ? -35.56178 26.60821 6.92528 0.545 13.50909 C ? A ? 66 CG 1
   ATOM 1562 OD1 A ASP A 67 ? -36.69969 26.80513 6.42287 0.545 14.68337 O ? A ? 66 OD1 1
   ATOM 1563 OD2 A ASP A 67 ? -35.40088 25.95551 7.98795 0.545 21.58397 O ? A ? 66 OD2 1
   ATOM 1564 H A ASP A 67 ? -34.06666 24.86937 5.10510 0.545 11.31845 H ? A ? 66 H 1
   ATOM 1565 HA A ASP A 67 ? -35.17237 27.16544 4.29876 0.545 14.43060 H ? A ? 66 HA 1
   ATOM 1566 HB2 A ASP A 67 ? -33.56383 26.71695 6.61951 0.545 15.80880 H ? A ? 66 HB2 1
   ATOM 1567 HB3 A ASP A 67 ? -34.31765 28.08096 6.30861 0.545 15.80880 H ? A ? 66 HB3 1
   ATOM 1568 N B ASP A 67 ? -34.48760 25.51394 4.48839 0.455 10.08618 N ? A ? 66 N 1
   ATOM 1569 CA B ASP A 67 ? -34.29944 26.94914 4.56913 0.455 12.19785 C ? A ? 66 CA 1
   ATOM 1570 C B ASP A 67 ? -33.07128 27.44323 3.80340 0.455 10.56158 C ? A ? 66 C 1
   ATOM 1571 O B ASP A 67 ? -32.97462 28.64745 3.54050 0.455 13.70715 O ? A ? 66 O 1
   ATOM 1572 CB B ASP A 67 ? -34.18789 27.39812 6.05395 0.455 15.40453 C ? A ? 66 CB 1
   ATOM 1573 CG B ASP A 67 ? -35.50877 27.35951 6.77144 0.455 22.23398 C ? A ? 66 CG 1
   ATOM 1574 OD1 B ASP A 67 ? -36.55257 27.65036 6.15080 0.455 25.08071 O ? A ? 66 OD1 1
   ATOM 1575 OD2 B ASP A 67 ? -35.49734 27.06297 7.98833 0.455 33.69184 O ? A ? 66 OD2 1
   ATOM 1576 H B ASP A 67 ? -34.09482 25.07345 5.11391 0.455 12.10342 H ? A ? 66 H 1
   ATOM 1577 HA B ASP A 67 ? -35.07946 27.37930 4.18516 0.455 14.63742 H ? A ? 66 HA 1
   ATOM 1578 HB2 B ASP A 67 ? -33.57623 26.80579 6.51861 0.455 18.48544 H ? A ? 66 HB2 1
   ATOM 1579 HB3 B ASP A 67 ? -33.85566 28.30892 6.08509 0.455 18.48544 H ? A ? 66 HB3 1
   ATOM 1580 N A ALA A 68 ? -32.23406 26.55154 3.50615 0.545 8.73839 N ? A ? 67 N 1
   ATOM 1581 CA A ALA A 68 ? -30.96558 27.06478 3.04301 0.545 9.47340 C ? A ? 67 CA 1
   ATOM 1582 C A ALA A 68 ? -31.07172 27.63519 1.63227 0.545 8.79708 C ? A ? 67 C 1
   ATOM 1583 O A ALA A 68 ? -31.91220 27.22390 0.82235 0.545 7.36500 O ? A ? 67 O 1
   ATOM 1584 CB A ALA A 68 ? -29.90771 25.98263 3.01203 0.545 11.66395 C ? A ? 67 CB 1
   ATOM 1585 H A ALA A 68 ? -32.31286 25.69767 3.44062 0.545 10.48607 H ? A ? 67 H 1
   ATOM 1586 HA A ALA A 68 ? -30.69948 27.76490 3.65938 0.545 11.36808 H ? A ? 67 HA 1
   ATOM 1587 HB1 A ALA A 68 ? -29.08228 26.35769 2.66720 0.545 13.99674 H ? A ? 67 HB1 1
   ATOM 1588 HB2 A ALA A 68 ? -29.76920 25.65052 3.91282 0.545 13.99674 H ? A ? 67 HB2 1
   ATOM 1589 HB3 A ALA A 68 ? -30.20950 25.26235 2.43668 0.545 13.99674 H ? A ? 67 HB3 1
   ATOM 1590 N B ALA A 68 ? -32.10577 26.58164 3.51783 0.455 8.83209 N ? A ? 67 N 1
   ATOM 1591 CA B ALA A 68 ? -30.84117 27.02130 2.98826 0.455 9.32124 C ? A ? 67 CA 1
   ATOM 1592 C B ALA A 68 ? -31.05848 27.73435 1.64801 0.455 8.79318 C ? A ? 67 C 1
   ATOM 1593 O B ALA A 68 ? -32.14421 27.67431 0.98292 0.455 10.38992 O ? A ? 67 O 1
   ATOM 1594 CB B ALA A 68 ? -29.86653 25.85960 2.89419 0.455 11.53994 C ? A ? 67 CB 1
   ATOM 1595 H B ALA A 68 ? -32.16500 25.73041 3.62502 0.455 10.59851 H ? A ? 67 H 1
   ATOM 1596 HA B ALA A 68 ? -30.42677 27.66560 3.58329 0.455 11.18549 H ? A ? 67 HA 1
   ATOM 1597 HB1 B ALA A 68 ? -29.03160 26.17765 2.51651 0.455 13.84793 H ? A ? 67 HB1 1
   ATOM 1598 HB2 B ALA A 68 ? -29.71297 25.50342 3.78326 0.455 13.84793 H ? A ? 67 HB2 1
   ATOM 1599 HB3 B ALA A 68 ? -30.24726 25.17332 2.32413 0.455 13.84793 H ? A ? 67 HB3 1
   ATOM 1600 N A ARG A 69 ? -30.16285 28.55599 1.29375 0.545 9.48424 N ? A ? 68 N 1
   ATOM 1601 CA A ARG A 69 ? -30.17211 29.23751 -0.01127 0.545 9.09141 C ? A ? 68 CA 1
   ATOM 1602 C A ARG A 69 ? -29.97676 28.23860 -1.14153 0.545 8.07498 C ? A ? 68 C 1
   ATOM 1603 O A ARG A 69 ? -29.16726 27.30047 -1.02545 0.545 9.18312 O ? A ? 68 O 1
   ATOM 1604 CB A ARG A 69 ? -29.06758 30.29814 -0.07452 0.545 11.90687 C ? A ? 68 CB 1
   ATOM 1605 CG A ARG A 69 ? -29.34056 31.42118 0.89505 0.545 16.76072 C ? A ? 68 CG 1
   ATOM 1606 CD A ARG A 69 ? -28.21944 32.47319 0.93573 0.545 28.67525 C ? A ? 68 CD 1
   ATOM 1607 NE A ARG A 69 ? -28.14316 33.23330 -0.30212 0.545 25.08737 N ? A ? 68 NE 1
   ATOM 1608 CZ A ARG A 69 ? -27.22522 34.15351 -0.57566 0.545 26.88168 C ? A ? 68 CZ 1
   ATOM 1609 NH1 A ARG A 69 ? -26.33935 34.54365 0.33653 0.545 28.46054 N ? A ? 68 NH1 1
   ATOM 1610 NH2 A ARG A 69 ? -27.18878 34.68349 -1.79927 0.545 34.00800 N ? A ? 68 NH2 1
   ATOM 1611 H A ARG A 69 ? -29.52039 28.81013 1.80586 0.545 11.38108 H ? A ? 68 H 1
   ATOM 1612 HA A ARG A 69 ? -31.03182 29.67101 -0.12912 0.545 10.90969 H ? A ? 68 HA 1
   ATOM 1613 HB2 A ARG A 69 ? -28.21727 29.89229 0.15605 0.545 14.28824 H ? A ? 68 HB2 1
   ATOM 1614 HB3 A ARG A 69 ? -29.02662 30.66798 -0.97031 0.545 14.28824 H ? A ? 68 HB3 1
   ATOM 1615 HG2 A ARG A 69 ? -30.16017 31.86973 0.63439 0.545 20.11286 H ? A ? 68 HG2 1
   ATOM 1616 HG3 A ARG A 69 ? -29.43398 31.05127 1.78687 0.545 20.11286 H ? A ? 68 HG3 1
   ATOM 1617 HD2 A ARG A 69 ? -28.38909 33.09301 1.66233 0.545 34.41031 H ? A ? 68 HD2 1
   ATOM 1618 HD3 A ARG A 69 ? -27.36833 32.02805 1.07128 0.545 34.41031 H ? A ? 68 HD3 1
   ATOM 1619 HE A ARG A 69 ? -28.73787 33.07477 -0.90278 0.545 30.10484 H ? A ? 68 HE 1
   ATOM 1620 HH11 A ARG A 69 ? -26.35273 34.19851 1.12412 0.545 34.15265 H ? A ? 68 HH11 1
   ATOM 1621 HH12 A ARG A 69 ? -25.75318 35.14105 0.13875 0.545 34.15265 H ? A ? 68 HH12 1
   ATOM 1622 HH21 A ARG A 69 ? -27.75365 34.42827 -2.39541 0.545 40.80960 H ? A ? 68 HH21 1
   ATOM 1623 HH22 A ARG A 69 ? -26.60041 35.28039 -1.99200 0.545 40.80960 H ? A ? 68 HH22 1
   ATOM 1624 N B ARG A 69 ? -30.00981 28.39475 1.20568 0.455 8.91643 N ? A ? 68 N 1
   ATOM 1625 CA B ARG A 69 ? -30.09021 29.08560 -0.08753 0.455 8.63549 C ? A ? 68 CA 1
   ATOM 1626 C B ARG A 69 ? -30.00739 28.07207 -1.22220 0.455 8.13827 C ? A ? 68 C 1
   ATOM 1627 O B ARG A 69 ? -29.27263 27.07884 -1.14092 0.455 9.38218 O ? A ? 68 O 1
   ATOM 1628 CB B ARG A 69 ? -29.03558 30.19206 -0.20354 0.455 11.99205 C ? A ? 68 CB 1
   ATOM 1629 CG B ARG A 69 ? -29.49345 31.48510 0.54493 0.455 18.36294 C ? A ? 68 CG 1
   ATOM 1630 CD B ARG A 69 ? -28.59657 32.71235 0.29431 0.455 25.27855 C ? A ? 68 CD 1
   ATOM 1631 NE B ARG A 69 ? -28.57549 33.09668 -1.11559 0.455 33.25277 N ? A ? 68 NE 1
   ATOM 1632 CZ B ARG A 69 ? -29.53021 33.78628 -1.73055 0.455 37.75813 C ? A ? 68 CZ 1
   ATOM 1633 NH1 B ARG A 69 ? -30.60630 34.19970 -1.08682 0.455 40.49485 N ? A ? 68 NH1 1
   ATOM 1634 NH2 B ARG A 69 ? -29.39049 34.08645 -3.02084 0.455 21.96100 N ? A ? 68 NH2 1
   ATOM 1635 H B ARG A 69 ? -29.25610 28.46360 1.61406 0.455 10.69972 H ? A ? 68 H 1
   ATOM 1636 HA B ARG A 69 ? -30.94451 29.53696 -0.17326 0.455 10.36259 H ? A ? 68 HA 1
   ATOM 1637 HB2 B ARG A 69 ? -28.20362 29.88675 0.19083 0.455 14.39046 H ? A ? 68 HB2 1
   ATOM 1638 HB3 B ARG A 69 ? -28.89902 30.41016 -1.13879 0.455 14.39046 H ? A ? 68 HB3 1
   ATOM 1639 HG2 B ARG A 69 ? -30.38991 31.71252 0.25246 0.455 22.03553 H ? A ? 68 HG2 1
   ATOM 1640 HG3 B ARG A 69 ? -29.49024 31.30958 1.49892 0.455 22.03553 H ? A ? 68 HG3 1
   ATOM 1641 HD2 B ARG A 69 ? -28.93258 33.46343 0.80801 0.455 30.33426 H ? A ? 68 HD2 1
   ATOM 1642 HD3 B ARG A 69 ? -27.68861 32.50476 0.56528 0.455 30.33426 H ? A ? 68 HD3 1
   ATOM 1643 HE B ARG A 69 ? -27.89363 32.85848 -1.58241 0.455 39.90332 H ? A ? 68 HE 1
   ATOM 1644 HH11 B ARG A 69 ? -30.70106 34.02386 -0.25034 0.455 48.59382 H ? A ? 68 HH11 1
   ATOM 1645 HH12 B ARG A 69 ? -31.21247 34.64481 -1.50401 0.455 48.59382 H ? A ? 68 HH12 1
   ATOM 1646 HH21 B ARG A 69 ? -28.68757 33.83423 -3.44732 0.455 26.35321 H ? A ? 68 HH21 1
   ATOM 1647 HH22 B ARG A 69 ? -30.00320 34.53246 -3.42736 0.455 26.35321 H ? A ? 68 HH22 1
   ATOM 1648 N A PRO A 70 ? -30.62344 28.48069 -2.29866 0.545 8.40668 N ? A ? 69 N 1
   ATOM 1649 CA A PRO A 70 ? -30.75629 27.42890 -3.30911 0.545 8.96912 C ? A ? 69 CA 1
   ATOM 1650 C A PRO A 70 ? -29.52284 27.19304 -4.12768 0.545 7.08327 C ? A ? 69 C 1
   ATOM 1651 O A PRO A 70 ? -29.43374 26.17065 -4.81685 0.545 6.57140 O ? A ? 69 O 1
   ATOM 1652 CB A PRO A 70 ? -31.91118 27.93102 -4.20534 0.545 8.82082 C ? A ? 69 CB 1
   ATOM 1653 CG A PRO A 70 ? -31.79021 29.42205 -4.11357 0.545 10.38654 C ? A ? 69 CG 1
   ATOM 1654 CD A PRO A 70 ? -31.43665 29.66539 -2.62635 0.545 8.64129 C ? A ? 69 CD 1
   ATOM 1655 HA A PRO A 70 ? -31.02051 26.60027 -2.87963 0.545 10.76294 H ? A ? 69 HA 1
   ATOM 1656 HB2 A PRO A 70 ? -31.79034 27.62162 -5.11670 0.545 10.58499 H ? A ? 69 HB2 1
   ATOM 1657 HB3 A PRO A 70 ? -32.76415 27.62333 -3.86087 0.545 10.58499 H ? A ? 69 HB3 1
   ATOM 1658 HG2 A PRO A 70 ? -31.08526 29.73927 -4.69950 0.545 12.46385 H ? A ? 69 HG2 1
   ATOM 1659 HG3 A PRO A 70 ? -32.63176 29.84316 -4.34884 0.545 12.46385 H ? A ? 69 HG3 1
   ATOM 1660 HD2 A PRO A 70 ? -30.92354 30.48149 -2.51869 0.545 10.36954 H ? A ? 69 HD2 1
   ATOM 1661 HD3 A PRO A 70 ? -32.23660 29.70180 -2.07895 0.545 10.36954 H ? A ? 69 HD3 1
   ATOM 1662 N B PRO A 70 ? -30.79590 28.28043 -2.28703 0.455 7.94401 N ? A ? 69 N 1
   ATOM 1663 CA B PRO A 70 ? -30.79558 27.31291 -3.40522 0.455 9.25343 C ? A ? 69 CA 1
   ATOM 1664 C B PRO A 70 ? -29.48625 27.17903 -4.19194 0.455 7.16254 C ? A ? 69 C 1
   ATOM 1665 O B PRO A 70 ? -29.29997 26.21782 -4.96388 0.455 6.68193 O ? A ? 69 O 1
   ATOM 1666 CB B PRO A 70 ? -31.95031 27.80335 -4.29142 0.455 8.67233 C ? A ? 69 CB 1
   ATOM 1667 CG B PRO A 70 ? -32.13223 29.25960 -3.94251 0.455 11.43373 C ? A ? 69 CG 1
   ATOM 1668 CD B PRO A 70 ? -31.81794 29.33911 -2.45393 0.455 7.99433 C ? A ? 69 CD 1
   ATOM 1669 HA B PRO A 70 ? -31.00577 26.43367 -3.05356 0.455 11.10411 H ? A ? 69 HA 1
   ATOM 1670 HB2 B PRO A 70 ? -31.71417 27.69878 -5.22641 0.455 10.40680 H ? A ? 69 HB2 1
   ATOM 1671 HB3 B PRO A 70 ? -32.75396 27.29747 -4.09363 0.455 10.40680 H ? A ? 69 HB3 1
   ATOM 1672 HG2 B PRO A 70 ? -31.51691 29.80425 -4.45792 0.455 13.72048 H ? A ? 69 HG2 1
   ATOM 1673 HG3 B PRO A 70 ? -33.04588 29.53242 -4.12059 0.455 13.72048 H ? A ? 69 HG3 1
   ATOM 1674 HD2 B PRO A 70 ? -31.45970 30.20948 -2.21937 0.455 9.59319 H ? A ? 69 HD2 1
   ATOM 1675 HD3 B PRO A 70 ? -32.60591 29.15001 -1.92078 0.455 9.59319 H ? A ? 69 HD3 1
   ATOM 1676 N . GLU A 71 ? -28.55011 28.09880 -4.02921 1.000 9.05620 N ? A ? 70 N 1
   ATOM 1677 CA . GLU A 71 ? -27.25579 27.95849 -4.68460 1.000 9.35354 C ? A ? 70 CA 1
   ATOM 1678 C . GLU A 71 ? -26.46148 26.71577 -4.25474 1.000 7.44614 C ? A ? 70 C 1
   ATOM 1679 O . GLU A 71 ? -25.58063 26.25762 -4.99655 1.000 8.65461 O ? A ? 70 O 1
   ATOM 1680 CB . GLU A 71 ? -26.43177 29.24688 -4.50380 1.000 13.38545 C ? A ? 70 CB 1
   ATOM 1681 CG . GLU A 71 ? -26.96713 30.45749 -5.22679 1.000 17.72966 C ? A ? 70 CG 1
   ATOM 1682 CD . GLU A 71 ? -27.94384 31.30907 -4.37762 1.000 30.62609 C ? A ? 70 CD 1
   ATOM 1683 OE1 . GLU A 71 ? -28.45290 30.88380 -3.31510 1.000 17.11150 O ? A ? 70 OE1 1
   ATOM 1684 OE2 . GLU A 71 ? -28.21284 32.45709 -4.80448 1.000 31.78921 O ? A ? 70 OE2 1
   ATOM 1685 HA . GLU A 71 ? -27.41440 27.84216 -5.63445 1.000 11.22425 H ? A ? 70 HA 1
   ATOM 1686 HB2 . GLU A 71 ? -26.40375 29.46242 -3.55847 1.000 16.06254 H ? A ? 70 HB2 1
   ATOM 1687 HB3 . GLU A 71 ? -25.53413 29.08523 -4.83397 1.000 16.06254 H ? A ? 70 HB3 1
   ATOM 1688 HG2 . GLU A 71 ? -26.22231 31.02529 -5.47928 1.000 21.27560 H ? A ? 70 HG2 1
   ATOM 1689 HG3 . GLU A 71 ? -27.44327 30.16307 -6.01895 1.000 21.27560 H ? A ? 70 HG3 1
   ATOM 1690 H A GLU A 71 ? -28.61773 28.82560 -3.57446 0.545 10.86744 H ? A ? 70 H 1
   ATOM 1691 H B GLU A 71 ? -28.63464 28.80789 -3.55000 0.455 10.86744 H ? A ? 70 H 1
   ATOM 1692 N . ILE A 72 ? -26.79696 26.11761 -3.10892 1.000 8.07948 N ? A ? 71 N 1
   ATOM 1693 CA . ILE A 72 ? -26.20598 24.82954 -2.71509 1.000 7.55953 C ? A ? 71 CA 1
   ATOM 1694 C . ILE A 72 ? -26.32832 23.82924 -3.87047 1.000 6.87236 C ? A ? 71 C 1
   ATOM 1695 O . ILE A 72 ? -25.45127 23.00854 -4.10057 1.000 7.94381 O ? A ? 71 O 1
   ATOM 1696 CB . ILE A 72 ? -26.87946 24.31476 -1.42848 1.000 6.36387 C ? A ? 71 CB 1
   ATOM 1697 CG1 . ILE A 72 ? -26.49594 25.22497 -0.26021 1.000 8.37669 C ? A ? 71 CG1 1
   ATOM 1698 CG2 . ILE A 72 ? -26.48645 22.85196 -1.16989 1.000 7.98467 C ? A ? 71 CG2 1
   ATOM 1699 CD1 . ILE A 72 ? -27.15578 24.84183 0.99884 1.000 11.99827 C ? A ? 71 CD1 1
   ATOM 1700 H . ILE A 72 ? -27.36159 26.43231 -2.54167 1.000 9.69538 H ? A ? 71 H 1
   ATOM 1701 HA . ILE A 72 ? -25.26281 24.95095 -2.52377 1.000 9.07143 H ? A ? 71 HA 1
   ATOM 1702 HB . ILE A 72 ? -27.84381 24.34019 -1.52987 1.000 7.63664 H ? A ? 71 HB 1
   ATOM 1703 HG12 . ILE A 72 ? -25.53682 25.17667 -0.12369 1.000 10.05203 H ? A ? 71 HG12 1
   ATOM 1704 HG13 . ILE A 72 ? -26.75566 26.13556 -0.47065 1.000 10.05203 H ? A ? 71 HG13 1
   ATOM 1705 HG21 . ILE A 72 ? -26.85440 22.57212 -0.31713 1.000 9.58160 H ? A ? 71 HG21 1
   ATOM 1706 HG22 . ILE A 72 ? -26.84358 22.29842 -1.88189 1.000 9.58160 H ? A ? 71 HG22 1
   ATOM 1707 HG23 . ILE A 72 ? -25.51906 22.78344 -1.15121 1.000 9.58160 H ? A ? 71 HG23 1
   ATOM 1708 HD11 . ILE A 72 ? -27.08455 25.57596 1.62883 1.000 14.39793 H ? A ? 71 HD11 1
   ATOM 1709 HD12 . ILE A 72 ? -28.08941 24.64877 0.82007 1.000 14.39793 H ? A ? 71 HD12 1
   ATOM 1710 HD13 . ILE A 72 ? -26.71799 24.05421 1.35786 1.000 14.39793 H ? A ? 71 HD13 1
   ATOM 1711 N . TRP A 73 ? -27.51454 23.81344 -4.53246 1.000 6.02328 N ? A ? 72 N 1
   ATOM 1712 CA . TRP A 73 ? -27.79898 22.86609 -5.59116 1.000 6.36306 C ? A ? 72 CA 1
   ATOM 1713 C . TRP A 73 ? -27.62368 23.47599 -6.97807 1.000 7.80716 C ? A ? 72 C 1
   ATOM 1714 O . TRP A 73 ? -27.24210 22.76269 -7.90642 1.000 9.28446 O ? A ? 72 O 1
   ATOM 1715 CB . TRP A 73 ? -29.21991 22.25825 -5.46105 1.000 6.70616 C ? A ? 72 CB 1
   ATOM 1716 CG . TRP A 73 ? -29.40841 21.64964 -4.09799 1.000 7.51253 C ? A ? 72 CG 1
   ATOM 1717 CD1 . TRP A 73 ? -29.08020 20.38543 -3.66985 1.000 8.83800 C ? A ? 72 CD1 1
   ATOM 1718 CD2 . TRP A 73 ? -29.98460 22.28974 -2.92690 1.000 6.29361 C ? A ? 72 CD2 1
   ATOM 1719 NE1 . TRP A 73 ? -29.38613 20.24359 -2.30935 1.000 8.71289 N ? A ? 72 NE1 1
   ATOM 1720 CE2 . TRP A 73 ? -29.87833 21.42273 -1.84412 1.000 7.26625 C ? A ? 72 CE2 1
   ATOM 1721 CE3 . TRP A 73 ? -30.53041 23.55881 -2.70966 1.000 7.02772 C ? A ? 72 CE3 1
   ATOM 1722 CZ2 . TRP A 73 ? -30.30410 21.77541 -0.58070 1.000 7.82240 C ? A ? 72 CZ2 1
   ATOM 1723 CZ3 . TRP A 73 ? -30.97561 23.88116 -1.45237 1.000 8.13422 C ? A ? 72 CZ3 1
   ATOM 1724 CH2 . TRP A 73 ? -30.86811 22.96696 -0.38996 1.000 7.85636 C ? A ? 72 CH2 1
   ATOM 1725 H . TRP A 73 ? -28.16310 24.35440 -4.37019 1.000 7.22793 H ? A ? 72 H 1
   ATOM 1726 HA . TRP A 73 ? -27.18679 22.11869 -5.50437 1.000 7.63567 H ? A ? 72 HA 1
   ATOM 1727 HB2 . TRP A 73 ? -29.88355 22.95494 -5.58389 1.000 8.04739 H ? A ? 72 HB2 1
   ATOM 1728 HB3 . TRP A 73 ? -29.33896 21.56514 -6.12913 1.000 8.04739 H ? A ? 72 HB3 1
   ATOM 1729 HD1 . TRP A 73 ? -28.70932 19.72116 -4.20473 1.000 10.60560 H ? A ? 72 HD1 1
   ATOM 1730 HE1 . TRP A 73 ? -29.27990 19.52775 -1.84472 1.000 10.45546 H ? A ? 72 HE1 1
   ATOM 1731 HE3 . TRP A 73 ? -30.59060 24.17343 -3.40502 1.000 8.43327 H ? A ? 72 HE3 1
   ATOM 1732 HZ2 . TRP A 73 ? -30.19841 21.18678 0.13151 1.000 9.38688 H ? A ? 72 HZ2 1
   ATOM 1733 HZ3 . TRP A 73 ? -31.35415 24.71701 -1.30084 1.000 9.76106 H ? A ? 72 HZ3 1
   ATOM 1734 HH2 . TRP A 73 ? -31.19269 23.19542 0.45108 1.000 9.42763 H ? A ? 72 HH2 1
   ATOM 1735 N A SER A 74 ? -27.88802 24.75055 -7.18968 0.471 7.35604 N ? A ? 73 N 1
   ATOM 1736 CA A SER A 74 ? -27.72597 25.35045 -8.51901 0.471 8.10745 C ? A ? 73 CA 1
   ATOM 1737 C A SER A 74 ? -26.24654 25.61927 -8.82863 0.471 6.87187 C ? A ? 73 C 1
   ATOM 1738 O A SER A 74 ? -25.83954 25.48148 -10.03903 0.471 7.18050 O ? A ? 73 O 1
   ATOM 1739 CB A SER A 74 ? -28.63853 26.56989 -8.66521 0.471 8.84086 C ? A ? 73 CB 1
   ATOM 1740 OG A SER A 74 ? -28.32180 27.56801 -7.71640 0.471 9.75412 O ? A ? 73 OG 1
   ATOM 1741 H A SER A 74 ? -28.16333 25.29876 -6.58695 0.471 8.82724 H ? A ? 73 H 1
   ATOM 1742 HA A SER A 74 ? -28.02843 24.74428 -9.21325 0.471 9.72894 H ? A ? 73 HA 1
   ATOM 1743 HB2 A SER A 74 ? -28.52933 26.93815 -9.55592 0.471 10.60903 H ? A ? 73 HB2 1
   ATOM 1744 HB3 A SER A 74 ? -29.55800 26.29113 -8.53190 0.471 10.60903 H ? A ? 73 HB3 1
   ATOM 1745 HG A SER A 74 ? -27.55153 27.86944 -7.86274 0.471 11.70495 H ? A ? 73 HG 1
   ATOM 1746 N B SER A 74 ? -27.91564 24.74708 -7.15867 0.529 7.37287 N ? A ? 73 N 1
   ATOM 1747 CA B SER A 74 ? -27.78655 25.36827 -8.46650 0.529 8.07330 C ? A ? 73 CA 1
   ATOM 1748 C B SER A 74 ? -26.32905 25.65926 -8.81636 0.529 6.96550 C ? A ? 73 C 1
   ATOM 1749 O B SER A 74 ? -26.09034 26.02393 -9.97234 0.529 8.09082 O ? A ? 73 O 1
   ATOM 1750 CB B SER A 74 ? -28.61657 26.64182 -8.60261 0.529 8.90028 C ? A ? 73 CB 1
   ATOM 1751 OG B SER A 74 ? -28.03384 27.65217 -7.86177 0.529 9.24758 O ? A ? 73 OG 1
   ATOM 1752 H B SER A 74 ? -28.19196 25.27731 -6.54053 0.529 8.84744 H ? A ? 73 H 1
   ATOM 1753 HA B SER A 74 ? -28.15440 24.75097 -9.11806 0.529 9.68796 H ? A ? 73 HA 1
   ATOM 1754 HB2 B SER A 74 ? -28.64973 26.90556 -9.53547 0.529 10.68033 H ? A ? 73 HB2 1
   ATOM 1755 HB3 B SER A 74 ? -29.51364 26.47753 -8.27220 0.529 10.68033 H ? A ? 73 HB3 1
   ATOM 1756 HG B SER A 74 ? -28.61459 28.21674 -7.63907 0.529 11.09710 H ? A ? 73 HG 1
   ATOM 1757 N A ASP A 75 ? -25.48315 26.03512 -7.77418 0.471 5.24194 N ? A ? 74 N 1
   ATOM 1758 CA A ASP A 75 ? -24.04253 26.12934 -7.87376 0.471 7.07769 C ? A ? 74 CA 1
   ATOM 1759 C A ASP A 75 ? -23.32616 25.09369 -6.99350 0.471 7.02727 C ? A ? 74 C 1
   ATOM 1760 O A ASP A 75 ? -22.55033 25.45215 -6.09242 0.471 8.06555 O ? A ? 74 O 1
   ATOM 1761 CB A ASP A 75 ? -23.63508 27.54108 -7.41610 0.471 7.84571 C ? A ? 74 CB 1
   ATOM 1762 CG A ASP A 75 ? -24.33201 28.62721 -8.16573 0.471 10.79296 C ? A ? 74 CG 1
   ATOM 1763 OD1 A ASP A 75 ? -24.55737 28.45084 -9.38615 0.471 10.89042 O ? A ? 74 OD1 1
   ATOM 1764 OD2 A ASP A 75 ? -24.69707 29.64538 -7.54701 0.471 15.98273 O ? A ? 74 OD2 1
   ATOM 1765 H A ASP A 75 ? -25.79749 26.26117 -7.00627 0.471 6.29033 H ? A ? 74 H 1
   ATOM 1766 HA A ASP A 75 ? -23.77205 25.95968 -8.78971 0.471 8.49322 H ? A ? 74 HA 1
   ATOM 1767 HB2 A ASP A 75 ? -23.85195 27.64147 -6.47599 0.471 9.41485 H ? A ? 74 HB2 1
   ATOM 1768 HB3 A ASP A 75 ? -22.68076 27.65165 -7.55007 0.471 9.41485 H ? A ? 74 HB3 1
   ATOM 1769 N B ASP A 75 ? -25.36916 25.57410 -7.84804 0.529 6.64557 N ? A ? 74 N 1
   ATOM 1770 CA B ASP A 75 ? -23.94358 25.70483 -8.10523 0.529 7.97794 C ? A ? 74 CA 1
   ATOM 1771 C B ASP A 75 ? -23.30369 24.73986 -7.11138 0.529 6.52226 C ? A ? 74 C 1
   ATOM 1772 O B ASP A 75 ? -22.56434 25.07120 -6.16350 0.529 7.35093 O ? A ? 74 O 1
   ATOM 1773 CB B ASP A 75 ? -23.44071 27.12456 -7.98579 0.529 8.75214 C ? A ? 74 CB 1
   ATOM 1774 CG B ASP A 75 ? -21.93452 27.24571 -8.39474 0.529 10.66311 C ? A ? 74 CG 1
   ATOM 1775 OD1 B ASP A 75 ? -21.22110 26.24819 -8.75147 0.529 8.51249 O ? A ? 74 OD1 1
   ATOM 1776 OD2 B ASP A 75 ? -21.48391 28.41228 -8.41419 0.529 15.57074 O ? A ? 74 OD2 1
   ATOM 1777 H B ASP A 75 ? -25.54691 25.43672 -7.01790 0.529 7.97468 H ? A ? 74 H 1
   ATOM 1778 HA B ASP A 75 ? -23.71890 25.45368 -9.01481 0.529 9.57353 H ? A ? 74 HA 1
   ATOM 1779 HB2 B ASP A 75 ? -23.96111 27.69808 -8.56988 0.529 10.50256 H ? A ? 74 HB2 1
   ATOM 1780 HB3 B ASP A 75 ? -23.53032 27.41897 -7.06591 0.529 10.50256 H ? A ? 74 HB3 1
   ATOM 1781 N A ALA A 76 ? -23.58052 23.79716 -7.26533 0.471 8.25213 N ? A ? 75 N 1
   ATOM 1782 CA A ALA A 76 ? -23.04989 22.65113 -6.47837 0.471 8.98073 C ? A ? 75 CA 1
   ATOM 1783 C A ALA A 76 ? -21.52745 22.45915 -6.55095 0.471 7.88352 C ? A ? 75 C 1
   ATOM 1784 O A ALA A 76 ? -20.90794 21.85793 -5.62931 0.471 9.05652 O ? A ? 75 O 1
   ATOM 1785 CB A ALA A 76 ? -23.66893 21.32553 -6.95955 0.471 10.88039 C ? A ? 75 CB 1
   ATOM 1786 H A ALA A 76 ? -24.07371 23.53998 -7.92124 0.471 9.90255 H ? A ? 75 H 1
   ATOM 1787 HA A ALA A 76 ? -23.29764 22.84233 -5.56024 0.471 10.77687 H ? A ? 75 HA 1
   ATOM 1788 HB1 A ALA A 76 ? -23.34926 20.60442 -6.39500 0.471 13.05647 H ? A ? 75 HB1 1
   ATOM 1789 HB2 A ALA A 76 ? -24.63509 21.38839 -6.90053 0.471 13.05647 H ? A ? 75 HB2 1
   ATOM 1790 HB3 A ALA A 76 ? -23.40324 21.16834 -7.87911 0.471 13.05647 H ? A ? 75 HB3 1
   ATOM 1791 N B ALA A 76 ? -23.59022 23.47324 -7.33384 0.529 8.70079 N ? A ? 75 N 1
   ATOM 1792 CA B ALA A 76 ? -23.03524 22.50865 -6.41227 0.529 8.97262 C ? A ? 75 CA 1
   ATOM 1793 C B ALA A 76 ? -21.51628 22.65135 -6.32541 0.529 8.10120 C ? A ? 75 C 1
   ATOM 1794 O B ALA A 76 ? -20.93623 22.47400 -5.23224 0.529 6.67460 O ? A ? 75 O 1
   ATOM 1795 CB B ALA A 76 ? -23.51322 21.12015 -6.79449 0.529 11.89743 C ? A ? 75 CB 1
   ATOM 1796 H B ALA A 76 ? -24.07497 23.16418 -7.97345 0.529 10.44095 H ? A ? 75 H 1
   ATOM 1797 HA B ALA A 76 ? -23.35892 22.66000 -5.51048 0.529 10.76714 H ? A ? 75 HA 1
   ATOM 1798 HB1 B ALA A 76 ? -23.14673 20.47647 -6.16819 0.529 14.27691 H ? A ? 75 HB1 1
   ATOM 1799 HB2 B ALA A 76 ? -24.48242 21.09944 -6.76094 0.529 14.27691 H ? A ? 75 HB2 1
   ATOM 1800 HB3 B ALA A 76 ? -23.20895 20.91763 -7.69299 0.529 14.27691 H ? A ? 75 HB3 1
   ATOM 1801 N A ALA A 77 ? -20.89170 22.98097 -7.58784 0.471 9.31389 N ? A ? 76 N 1
   ATOM 1802 CA A ALA A 77 ? -19.44645 22.90623 -7.60660 0.471 10.77334 C ? A ? 76 CA 1
   ATOM 1803 C A ALA A 77 ? -18.84965 23.88123 -6.61949 0.471 8.72581 C ? A ? 76 C 1
   ATOM 1804 O A ALA A 77 ? -17.81755 23.54447 -5.99465 0.471 11.09030 O ? A ? 76 O 1
   ATOM 1805 CB A ALA A 77 ? -18.88544 23.15436 -9.00701 0.471 13.98831 C ? A ? 76 CB 1
   ATOM 1806 H A ALA A 77 ? -21.25912 23.36664 -8.26302 0.471 11.17667 H ? A ? 76 H 1
   ATOM 1807 HA A ALA A 77 ? -19.18958 22.00446 -7.35818 0.471 12.92800 H ? A ? 76 HA 1
   ATOM 1808 HB1 A ALA A 77 ? -17.91686 23.11649 -8.97048 0.471 16.78597 H ? A ? 76 HB1 1
   ATOM 1809 HB2 A ALA A 77 ? -19.22080 22.47024 -9.60735 0.471 16.78597 H ? A ? 76 HB2 1
   ATOM 1810 HB3 A ALA A 77 ? -19.17100 24.03011 -9.31101 0.471 16.78597 H ? A ? 76 HB3 1
   ATOM 1811 N B ALA A 77 ? -20.85069 22.90768 -7.46314 0.529 9.29460 N ? A ? 76 N 1
   ATOM 1812 CA B ALA A 77 ? -19.38544 22.90394 -7.46257 0.529 10.45277 C ? A ? 76 CA 1
   ATOM 1813 C B ALA A 77 ? -18.83009 23.96037 -6.51801 0.529 8.88732 C ? A ? 76 C 1
   ATOM 1814 O B ALA A 77 ? -17.81893 23.75883 -5.78854 0.529 9.84013 O ? A ? 76 O 1
   ATOM 1815 CB B ALA A 77 ? -18.86774 23.12416 -8.89629 0.529 13.99826 C ? A ? 76 CB 1
   ATOM 1816 H B ALA A 77 ? -21.21455 23.08084 -8.22289 0.529 11.15352 H ? A ? 76 H 1
   ATOM 1817 HA B ALA A 77 ? -19.06937 22.03983 -7.15549 0.529 12.54332 H ? A ? 76 HA 1
   ATOM 1818 HB1 B ALA A 77 ? -17.89821 23.15031 -8.88143 0.529 16.79792 H ? A ? 76 HB1 1
   ATOM 1819 HB2 B ALA A 77 ? -19.17036 22.39287 -9.45713 0.529 16.79792 H ? A ? 76 HB2 1
   ATOM 1820 HB3 B ALA A 77 ? -19.21621 23.96476 -9.23224 0.529 16.79792 H ? A ? 76 HB3 1
   ATOM 1821 N . SER A 78 ? -19.45812 25.08806 -6.47059 1.000 9.37529 N ? A ? 77 N 1
   ATOM 1822 CA . SER A 78 ? -18.98681 26.09327 -5.53659 1.000 9.97588 C ? A ? 77 CA 1
   ATOM 1823 C . SER A 78 ? -19.23287 25.65155 -4.11356 1.000 9.66310 C ? A ? 77 C 1
   ATOM 1824 O . SER A 78 ? -18.40897 25.94306 -3.21090 1.000 11.47354 O ? A ? 77 O 1
   ATOM 1825 CB . SER A 78 ? -19.71822 27.40203 -5.81749 1.000 12.08316 C ? A ? 77 CB 1
   ATOM 1826 OG . SER A 78 ? -19.27768 28.40765 -4.92554 1.000 20.29703 O ? A ? 77 OG 1
   ATOM 1827 HA . SER A 78 ? -18.03386 26.23347 -5.65111 1.000 11.97105 H ? A ? 77 HA 1
   ATOM 1828 HB2 . SER A 78 ? -19.53384 27.68087 -6.72807 1.000 14.49979 H ? A ? 77 HB2 1
   ATOM 1829 HB3 . SER A 78 ? -20.67128 27.26613 -5.69868 1.000 14.49979 H ? A ? 77 HB3 1
   ATOM 1830 HG . SER A 78 ? -19.53697 28.23370 -4.14573 1.000 24.35644 H ? A ? 77 HG 1
   ATOM 1831 H A SER A 78 ? -20.15324 25.33486 -6.91273 0.471 11.25035 H ? A ? 77 H 1
   ATOM 1832 H B SER A 78 ? -20.14043 25.30557 -6.94676 0.529 11.25035 H ? A ? 77 H 1
   ATOM 1833 N . PHE A 79 ? -20.36683 25.02376 -3.81014 1.000 10.18373 N ? A ? 78 N 1
   ATOM 1834 CA . PHE A 79 ? -20.59455 24.58786 -2.43724 1.000 10.34372 C ? A ? 78 CA 1
   ATOM 1835 C . PHE A 79 ? -19.49420 23.62104 -2.03814 1.000 10.22084 C ? A ? 78 C 1
   ATOM 1836 O . PHE A 79 ? -18.92887 23.70947 -0.92488 1.000 10.95415 O ? A ? 78 O 1
   ATOM 1837 H . PHE A 79 ? -21.00029 24.84372 -4.36324 1.000 12.22047 H ? A ? 78 H 1
   ATOM 1838 HA . PHE A 79 ? -20.55032 25.32008 -1.80258 1.000 12.41246 H ? A ? 78 HA 1
   ATOM 1839 CB A PHE A 79 ? -21.96947 23.88100 -2.46327 0.441 12.16824 C ? A ? 78 CB 1
   ATOM 1840 CG A PHE A 79 ? -22.35973 23.14366 -1.19270 0.441 14.79793 C ? A ? 78 CG 1
   ATOM 1841 CD1 A PHE A 79 ? -22.30213 21.75883 -1.10932 0.441 17.53677 C ? A ? 78 CD1 1
   ATOM 1842 CD2 A PHE A 79 ? -22.85066 23.83052 -0.13685 0.441 14.76898 C ? A ? 78 CD2 1
   ATOM 1843 CE1 A PHE A 79 ? -22.71648 21.09028 0.05785 0.441 18.33061 C ? A ? 78 CE1 1
   ATOM 1844 CE2 A PHE A 79 ? -23.24011 23.15938 1.01488 0.441 9.00275 C ? A ? 78 CE2 1
   ATOM 1845 CZ A PHE A 79 ? -23.19142 21.80946 1.08983 0.441 11.81335 C ? A ? 78 CZ 1
   ATOM 1846 HB2 A PHE A 79 ? -22.65201 24.55027 -2.62794 0.441 14.60189 H ? A ? 78 HB2 1
   ATOM 1847 HB3 A PHE A 79 ? -21.96278 23.23005 -3.18238 0.441 14.60189 H ? A ? 78 HB3 1
   ATOM 1848 HD1 A PHE A 79 ? -21.98615 21.26747 -1.83294 0.441 21.04412 H ? A ? 78 HD1 1
   ATOM 1849 HD2 A PHE A 79 ? -22.92790 24.75620 -0.18197 0.441 17.72278 H ? A ? 78 HD2 1
   ATOM 1850 HE1 A PHE A 79 ? -22.66250 20.16358 0.11450 0.441 21.99673 H ? A ? 78 HE1 1
   ATOM 1851 HE2 A PHE A 79 ? -23.53984 23.64679 1.74802 0.441 10.80330 H ? A ? 78 HE2 1
   ATOM 1852 HZ A PHE A 79 ? -23.48761 21.37724 1.85818 0.441 14.17602 H ? A ? 78 HZ 1
   ATOM 1853 CB B PHE A 79 ? -22.03032 24.06564 -2.28436 0.559 10.39652 C ? A ? 78 CB 1
   ATOM 1854 CG B PHE A 79 ? -22.41725 23.61131 -0.87506 0.559 8.46104 C ? A ? 78 CG 1
   ATOM 1855 CD1 B PHE A 79 ? -22.20519 22.29050 -0.49424 0.559 9.40779 C ? A ? 78 CD1 1
   ATOM 1856 CD2 B PHE A 79 ? -22.93973 24.52639 0.01223 0.559 7.68720 C ? A ? 78 CD2 1
   ATOM 1857 CE1 B PHE A 79 ? -22.53437 21.82558 0.75470 0.559 9.16138 C ? A ? 78 CE1 1
   ATOM 1858 CE2 B PHE A 79 ? -23.28749 24.10182 1.26452 0.559 6.88112 C ? A ? 78 CE2 1
   ATOM 1859 CZ B PHE A 79 ? -23.08418 22.72865 1.67887 0.559 8.76994 C ? A ? 78 CZ 1
   ATOM 1860 HB2 B PHE A 79 ? -22.64186 24.77476 -2.53746 0.559 12.47583 H ? A ? 78 HB2 1
   ATOM 1861 HB3 B PHE A 79 ? -22.14285 23.30413 -2.87456 0.559 12.47583 H ? A ? 78 HB3 1
   ATOM 1862 HD1 B PHE A 79 ? -21.82723 21.70186 -1.10706 0.559 11.28935 H ? A ? 78 HD1 1
   ATOM 1863 HD2 B PHE A 79 ? -23.05367 25.41547 -0.23566 0.559 9.22464 H ? A ? 78 HD2 1
   ATOM 1864 HE1 B PHE A 79 ? -22.39668 20.93464 0.98311 0.559 10.99366 H ? A ? 78 HE1 1
   ATOM 1865 HE2 B PHE A 79 ? -23.66237 24.70719 1.86277 0.559 8.25734 H ? A ? 78 HE2 1
   ATOM 1866 HZ B PHE A 79 ? -23.31244 22.45169 2.53683 0.559 10.52393 H ? A ? 78 HZ 1
   ATOM 1867 N A LYS A 80 ? -19.14837 22.69374 -2.92473 0.310 10.56296 N ? A ? 79 N 1
   ATOM 1868 CA A LYS A 80 ? -18.00803 21.81589 -2.66787 0.310 10.74746 C ? A ? 79 CA 1
   ATOM 1869 C A LYS A 80 ? -16.72540 22.59679 -2.36584 0.310 8.66570 C ? A ? 79 C 1
   ATOM 1870 O A LYS A 80 ? -15.96988 22.20740 -1.46758 0.310 4.45513 O ? A ? 79 O 1
   ATOM 1871 CB A LYS A 80 ? -17.83746 20.81298 -3.81384 0.310 12.46448 C ? A ? 79 CB 1
   ATOM 1872 CG A LYS A 80 ? -16.60691 19.90222 -3.72105 0.310 16.32979 C ? A ? 79 CG 1
   ATOM 1873 CD A LYS A 80 ? -16.31887 19.11167 -4.98682 0.310 21.06344 C ? A ? 79 CD 1
   ATOM 1874 CE A LYS A 80 ? -17.28631 17.96287 -5.23110 0.310 26.75816 C ? A ? 79 CE 1
   ATOM 1875 NZ A LYS A 80 ? -16.96107 17.30181 -6.54792 0.310 28.52975 N ? A ? 79 NZ 1
   ATOM 1876 H A LYS A 80 ? -19.54945 22.55210 -3.67217 0.310 12.67556 H ? A ? 79 H 1
   ATOM 1877 HA A LYS A 80 ? -18.19180 21.29605 -1.86982 0.310 12.89695 H ? A ? 79 HA 1
   ATOM 1878 HB2 A LYS A 80 ? -18.61940 20.23940 -3.83538 0.310 14.95738 H ? A ? 79 HB2 1
   ATOM 1879 HB3 A LYS A 80 ? -17.76682 21.30891 -4.64448 0.310 14.95738 H ? A ? 79 HB3 1
   ATOM 1880 HG2 A LYS A 80 ? -15.82842 20.44974 -3.53380 0.310 19.59575 H ? A ? 79 HG2 1
   ATOM 1881 HG3 A LYS A 80 ? -16.74512 19.26529 -3.00264 0.310 19.59575 H ? A ? 79 HG3 1
   ATOM 1882 HD2 A LYS A 80 ? -16.37452 19.71039 -5.74796 0.310 25.27612 H ? A ? 79 HD2 1
   ATOM 1883 HD3 A LYS A 80 ? -15.42643 18.73680 -4.92414 0.310 25.27612 H ? A ? 79 HD3 1
   ATOM 1884 HE2 A LYS A 80 ? -17.20292 17.30644 -4.52185 0.310 32.10979 H ? A ? 79 HE2 1
   ATOM 1885 HE3 A LYS A 80 ? -18.19511 18.30018 -5.26578 0.310 32.10979 H ? A ? 79 HE3 1
   ATOM 1886 HZ1 A LYS A 80 ? -17.67233 16.86104 -6.85113 0.310 34.23570 H ? A ? 79 HZ1 1
   ATOM 1887 HZ2 A LYS A 80 ? -16.72511 17.91631 -7.14693 0.310 34.23570 H ? A ? 79 HZ2 1
   ATOM 1888 HZ3 A LYS A 80 ? -16.28893 16.72800 -6.44266 0.310 34.23570 H ? A ? 79 HZ3 1
   ATOM 1889 N B LYS A 80 ? -19.16149 22.70020 -2.92388 0.690 10.47934 N ? A ? 79 N 1
   ATOM 1890 CA B LYS A 80 ? -18.12084 21.70479 -2.66577 0.690 10.79500 C ? A ? 79 CA 1
   ATOM 1891 C B LYS A 80 ? -16.72071 22.23991 -2.53689 0.690 10.66417 C ? A ? 79 C 1
   ATOM 1892 O B LYS A 80 ? -15.88753 21.63793 -1.77569 0.690 11.37718 O ? A ? 79 O 1
   ATOM 1893 CB B LYS A 80 ? -18.09572 20.67797 -3.75088 0.690 12.50477 C ? A ? 79 CB 1
   ATOM 1894 CG B LYS A 80 ? -16.95952 19.72443 -3.78675 0.690 12.40069 C ? A ? 79 CG 1
   ATOM 1895 CD B LYS A 80 ? -16.90774 18.86923 -2.50753 0.690 26.69265 C ? A ? 79 CD 1
   ATOM 1896 CE B LYS A 80 ? -15.84401 17.75587 -2.55736 0.690 37.20950 C ? A ? 79 CE 1
   ATOM 1897 NZ B LYS A 80 ? -15.93059 16.86941 -1.34977 0.690 36.47345 N ? A ? 79 NZ 1
   ATOM 1898 H B LYS A 80 ? -19.52524 22.62176 -3.69921 0.690 12.57521 H ? A ? 79 H 1
   ATOM 1899 HA B LYS A 80 ? -18.36693 21.31662 -1.81156 0.690 12.95400 H ? A ? 79 HA 1
   ATOM 1900 HB2 B LYS A 80 ? -18.90225 20.14506 -3.67081 0.690 15.00572 H ? A ? 79 HB2 1
   ATOM 1901 HB3 B LYS A 80 ? -18.09084 21.14686 -4.60001 0.690 15.00572 H ? A ? 79 HB3 1
   ATOM 1902 HG2 B LYS A 80 ? -17.06071 19.13111 -4.54742 0.690 14.88083 H ? A ? 79 HG2 1
   ATOM 1903 HG3 B LYS A 80 ? -16.12728 20.21745 -3.85895 0.690 14.88083 H ? A ? 79 HG3 1
   ATOM 1904 HD2 B LYS A 80 ? -16.70063 19.44385 -1.75399 0.690 32.03118 H ? A ? 79 HD2 1
   ATOM 1905 HD3 B LYS A 80 ? -17.77173 18.44833 -2.37616 0.690 32.03118 H ? A ? 79 HD3 1
   ATOM 1906 HE2 B LYS A 80 ? -15.98395 17.21141 -3.34785 0.690 44.65140 H ? A ? 79 HE2 1
   ATOM 1907 HE3 B LYS A 80 ? -14.96032 18.15513 -2.58169 0.690 44.65140 H ? A ? 79 HE3 1
   ATOM 1908 HZ1 B LYS A 80 ? -16.50445 16.20586 -1.49978 0.690 43.76814 H ? A ? 79 HZ1 1
   ATOM 1909 HZ2 B LYS A 80 ? -15.13081 16.52399 -1.16775 0.690 43.76814 H ? A ? 79 HZ2 1
   ATOM 1910 HZ3 B LYS A 80 ? -16.20922 17.33888 -0.64688 0.690 43.76814 H ? A ? 79 HZ3 1
   ATOM 1911 N A GLN A 81 ? -16.42020 23.66714 -3.10995 0.310 7.34533 N ? A ? 80 N 1
   ATOM 1912 CA A GLN A 81 ? -15.14754 24.37527 -2.84962 0.310 9.29323 C ? A ? 80 CA 1
   ATOM 1913 C A GLN A 81 ? -15.09854 24.90648 -1.41672 0.310 6.03361 C ? A ? 80 C 1
   ATOM 1914 O A GLN A 81 ? -14.04342 24.91109 -0.73385 0.310 4.98533 O ? A ? 80 O 1
   ATOM 1915 CB A GLN A 81 ? -15.01724 25.50190 -3.86818 0.310 9.24435 C ? A ? 80 CB 1
   ATOM 1916 CG A GLN A 81 ? -14.90382 24.99166 -5.29223 0.310 10.25834 C ? A ? 80 CG 1
   ATOM 1917 CD A GLN A 81 ? -15.00257 26.12325 -6.33068 0.310 11.05441 C ? A ? 80 CD 1
   ATOM 1918 OE1 A GLN A 81 ? -15.55796 27.16810 -6.07904 0.310 10.02533 O ? A ? 80 OE1 1
   ATOM 1919 NE2 A GLN A 81 ? -14.41634 25.90198 -7.49787 0.310 15.54353 N ? A ? 80 NE2 1
   ATOM 1920 H A GLN A 81 ? -16.90448 23.99252 -3.74177 0.310 8.81440 H ? A ? 80 H 1
   ATOM 1921 HA A GLN A 81 ? -14.39094 23.77744 -2.95478 0.310 11.15188 H ? A ? 80 HA 1
   ATOM 1922 HB2 A GLN A 81 ? -15.80183 26.06964 -3.81361 0.310 11.09322 H ? A ? 80 HB2 1
   ATOM 1923 HB3 A GLN A 81 ? -14.22013 26.01749 -3.66895 0.310 11.09322 H ? A ? 80 HB3 1
   ATOM 1924 HG2 A GLN A 81 ? -14.04595 24.55320 -5.40493 0.310 12.31001 H ? A ? 80 HG2 1
   ATOM 1925 HG3 A GLN A 81 ? -15.62263 24.36294 -5.46233 0.310 12.31001 H ? A ? 80 HG3 1
   ATOM 1926 HE21 A GLN A 81 ? -14.00975 25.15773 -7.64061 0.310 18.65223 H ? A ? 80 HE21 1
   ATOM 1927 HE22 A GLN A 81 ? -14.44236 26.50259 -8.11285 0.310 18.65223 H ? A ? 80 HE22 1
   ATOM 1928 N B GLN A 81 ? -16.41827 23.33440 -3.22429 0.690 9.54164 N ? A ? 80 N 1
   ATOM 1929 CA B GLN A 81 ? -15.21445 24.09459 -2.90745 0.690 10.08648 C ? A ? 80 CA 1
   ATOM 1930 C B GLN A 81 ? -15.20784 24.46145 -1.40669 0.690 9.93244 C ? A ? 80 C 1
   ATOM 1931 O B GLN A 81 ? -14.20922 24.21057 -0.71646 0.690 8.55697 O ? A ? 80 O 1
   ATOM 1932 CB B GLN A 81 ? -15.10710 25.37168 -3.77233 0.690 9.40910 C ? A ? 80 CB 1
   ATOM 1933 CG B GLN A 81 ? -14.83386 25.13874 -5.18524 0.690 9.77678 C ? A ? 80 CG 1
   ATOM 1934 CD B GLN A 81 ? -15.15093 26.34704 -6.09227 0.690 9.57550 C ? A ? 80 CD 1
   ATOM 1935 OE1 B GLN A 81 ? -15.43787 27.44488 -5.57497 0.690 13.07001 O ? A ? 80 OE1 1
   ATOM 1936 NE2 B GLN A 81 ? -15.07258 26.12987 -7.39239 0.690 15.37878 N ? A ? 80 NE2 1
   ATOM 1937 H B GLN A 81 ? -16.88622 23.65517 -3.87061 0.690 11.44997 H ? A ? 80 H 1
   ATOM 1938 HA B GLN A 81 ? -14.44164 23.54655 -3.11558 0.690 12.10378 H ? A ? 80 HA 1
   ATOM 1939 HB2 B GLN A 81 ? -15.94720 25.85309 -3.71425 0.690 11.29092 H ? A ? 80 HB2 1
   ATOM 1940 HB3 B GLN A 81 ? -14.38630 25.91894 -3.42325 0.690 11.29092 H ? A ? 80 HB3 1
   ATOM 1941 HG2 B GLN A 81 ? -13.89236 24.93027 -5.29021 0.690 11.73214 H ? A ? 80 HG2 1
   ATOM 1942 HG3 B GLN A 81 ? -15.37465 24.39266 -5.48823 0.690 11.73214 H ? A ? 80 HG3 1
   ATOM 1943 HE21 B GLN A 81 ? -14.85544 25.35124 -7.68597 0.690 18.45454 H ? A ? 80 HE21 1
   ATOM 1944 HE22 B GLN A 81 ? -15.23869 26.76705 -7.94557 0.690 18.45454 H ? A ? 80 HE22 1
   ATOM 1945 N . LYS A 82 ? -16.25497 25.22765 -0.90674 1.000 10.04956 N ? A ? 81 N 1
   ATOM 1946 CA . LYS A 82 ? -16.27453 25.78515 0.49197 1.000 10.87022 C ? A ? 81 CA 1
   ATOM 1947 C . LYS A 82 ? -16.16116 24.65108 1.49654 1.000 9.37510 C ? A ? 81 C 1
   ATOM 1948 O . LYS A 82 ? -15.52475 24.74566 2.54229 1.000 9.59573 O ? A ? 81 O 1
   ATOM 1949 CB . LYS A 82 ? -17.52811 26.60536 0.73535 1.000 12.50797 C ? A ? 81 CB 1
   ATOM 1950 CG . LYS A 82 ? -17.44214 27.86006 0.02436 1.000 19.17131 C ? A ? 81 CG 1
   ATOM 1951 CD . LYS A 82 ? -18.63550 28.70833 0.25016 1.000 32.56266 C ? A ? 81 CD 1
   ATOM 1952 CE . LYS A 82 ? -18.70421 29.80266 -0.80963 1.000 45.22660 C ? A ? 81 CE 1
   ATOM 1953 NZ . LYS A 82 ? -18.93578 29.28427 -2.20551 1.000 40.40394 N ? A ? 81 NZ 1
   ATOM 1954 HA . LYS A 82 ? -15.52935 26.39442 0.61193 1.000 13.04426 H ? A ? 81 HA 1
   ATOM 1955 HB2 . LYS A 82 ? -18.30390 26.11830 0.41627 1.000 15.00957 H ? A ? 81 HB2 1
   ATOM 1956 HB3 . LYS A 82 ? -17.61877 26.78940 1.68341 1.000 15.00957 H ? A ? 81 HB3 1
   ATOM 1957 HG2 . LYS A 82 ? -16.66158 28.34785 0.33043 1.000 23.00557 H ? A ? 81 HG2 1
   ATOM 1958 HG3 . LYS A 82 ? -17.37138 27.68399 -0.92690 1.000 23.00557 H ? A ? 81 HG3 1
   ATOM 1959 HD2 . LYS A 82 ? -19.43795 28.16662 0.19079 1.000 39.07519 H ? A ? 81 HD2 1
   ATOM 1960 HD3 . LYS A 82 ? -18.58024 29.12471 1.12450 1.000 39.07519 H ? A ? 81 HD3 1
   ATOM 1961 HE2 . LYS A 82 ? -19.43509 30.40227 -0.59238 1.000 54.27192 H ? A ? 81 HE2 1
   ATOM 1962 HE3 . LYS A 82 ? -17.86508 30.28925 -0.81086 1.000 54.27192 H ? A ? 81 HE3 1
   ATOM 1963 HZ1 . LYS A 82 ? -18.27323 29.54342 -2.74028 1.000 48.48473 H ? A ? 81 HZ1 1
   ATOM 1964 HZ2 . LYS A 82 ? -18.97000 28.39496 -2.19818 1.000 48.48473 H ? A ? 81 HZ2 1
   ATOM 1965 HZ3 . LYS A 82 ? -19.70442 29.60028 -2.52397 1.000 48.48473 H ? A ? 81 HZ3 1
   ATOM 1966 H A LYS A 82 ? -17.01777 25.15113 -1.29646 0.310 12.05947 H ? A ? 81 H 1
   ATOM 1967 H B LYS A 82 ? -16.95682 25.43331 -1.35919 0.690 12.05947 H ? A ? 81 H 1
   ATOM 1968 N . GLN A 83 ? -16.71686 23.50913 1.15374 1.000 8.92745 N ? A ? 82 N 1
   ATOM 1969 CA . GLN A 83 ? -16.63243 22.27472 1.91585 1.000 13.57783 C ? A ? 82 CA 1
   ATOM 1970 C . GLN A 83 ? -15.20747 21.73084 1.92551 1.000 9.79055 C ? A ? 82 C 1
   ATOM 1971 O . GLN A 83 ? -14.73101 21.37571 3.04812 1.000 10.69478 O ? A ? 82 O 1
   ATOM 1972 CB . GLN A 83 ? -17.57688 21.24198 1.29460 1.000 13.09843 C ? A ? 82 CB 1
   ATOM 1973 CG . GLN A 83 ? -17.61604 19.91361 2.10374 1.000 12.43974 C ? A ? 82 CG 1
   ATOM 1974 CD . GLN A 83 ? -18.29299 18.85394 1.22724 1.000 11.71434 C ? A ? 82 CD 1
   ATOM 1975 OE1 . GLN A 83 ? -19.30077 19.20600 0.45066 1.000 13.56519 O ? A ? 82 OE1 1
   ATOM 1976 NE2 . GLN A 83 ? -17.77260 17.59822 1.25517 1.000 15.53554 N ? A ? 82 NE2 1
   ATOM 1977 H . GLN A 83 ? -17.18102 23.40945 0.43665 1.000 10.71294 H ? A ? 82 H 1
   ATOM 1978 HA . GLN A 83 ? -16.89900 22.44649 2.83255 1.000 16.29340 H ? A ? 82 HA 1
   ATOM 1979 HB2 . GLN A 83 ? -18.47502 21.60757 1.27045 1.000 15.71812 H ? A ? 82 HB2 1
   ATOM 1980 HB3 . GLN A 83 ? -17.27707 21.03883 0.39474 1.000 15.71812 H ? A ? 82 HB3 1
   ATOM 1981 HG2 . GLN A 83 ? -16.71517 19.62501 2.31831 1.000 14.92769 H ? A ? 82 HG2 1
   ATOM 1982 HG3 . GLN A 83 ? -18.12929 20.03215 2.91825 1.000 14.92769 H ? A ? 82 HG3 1
   ATOM 1983 HE21 . GLN A 83 ? -17.09128 17.42603 1.75090 1.000 18.64265 H ? A ? 82 HE21 1
   ATOM 1984 HE22 . GLN A 83 ? -18.12475 16.97609 0.77710 1.000 18.64265 H ? A ? 82 HE22 1
   ATOM 1985 N . GLN A 84 ? -14.48884 21.69084 0.78632 1.000 12.43475 N ? A ? 83 N 1
   ATOM 1986 CA . GLN A 84 ? -13.08138 21.18406 0.74054 1.000 12.38539 C ? A ? 83 CA 1
   ATOM 1987 C . GLN A 84 ? -12.20089 22.06460 1.60693 1.000 8.52508 C ? A ? 83 C 1
   ATOM 1988 O . GLN A 84 ? -11.31024 21.57629 2.36001 1.000 8.65490 O ? A ? 83 O 1
   ATOM 1989 CB . GLN A 84 ? -12.50647 21.16355 -0.71192 1.000 13.31884 C ? A ? 83 CB 1
   ATOM 1990 CG . GLN A 84 ? -13.00586 20.01440 -1.61149 1.000 17.98482 C ? A ? 83 CG 1
   ATOM 1991 CD . GLN A 84 ? -12.64048 20.21020 -3.10553 1.000 24.54437 C ? A ? 83 CD 1
   ATOM 1992 OE1 . GLN A 84 ? -12.67295 21.32871 -3.60921 1.000 17.85919 O ? A ? 83 OE1 1
   ATOM 1993 NE2 . GLN A 84 ? -12.28886 19.15121 -3.76478 1.000 25.44941 N ? A ? 83 NE2 1
   ATOM 1994 H . GLN A 84 ? -14.78337 21.94889 0.02064 1.000 14.92170 H ? A ? 83 H 1
   ATOM 1995 HA . GLN A 84 ? -13.08170 20.26771 1.05867 1.000 14.86247 H ? A ? 83 HA 1
   ATOM 1996 HB2 . GLN A 84 ? -12.74867 21.99599 -1.14698 1.000 15.98261 H ? A ? 83 HB2 1
   ATOM 1997 HB3 . GLN A 84 ? -11.54110 21.08699 -0.65616 1.000 15.98261 H ? A ? 83 HB3 1
   ATOM 1998 HG2 . GLN A 84 ? -12.60497 19.18330 -1.31240 1.000 21.58179 H ? A ? 83 HG2 1
   ATOM 1999 HG3 . GLN A 84 ? -13.97202 19.95948 -1.54501 1.000 21.58179 H ? A ? 83 HG3 1
   ATOM 2000 HE21 . GLN A 84 ? -12.26676 18.38706 -3.37084 1.000 30.53929 H ? A ? 83 HE21 1
   ATOM 2001 HE22 . GLN A 84 ? -12.07764 19.21266 -4.59617 1.000 30.53929 H ? A ? 83 HE22 1
   ATOM 2002 N B ALA A 85 ? -12.42954 23.36549 1.53709 0.381 9.52370 N ? A ? 84 N 1
   ATOM 2003 CA B ALA A 85 ? -11.67667 24.27831 2.37024 0.381 8.94465 C ? A ? 84 CA 1
   ATOM 2004 C B ALA A 85 ? -11.93925 23.95882 3.83536 0.381 7.67866 C ? A ? 84 C 1
   ATOM 2005 O B ALA A 85 ? -11.01479 23.79009 4.62550 0.381 7.31165 O ? A ? 84 O 1
   ATOM 2006 CB B ALA A 85 ? -12.07053 25.71650 2.05285 0.381 10.47959 C ? A ? 84 CB 1
   ATOM 2007 H B ALA A 85 ? -13.00794 23.73899 1.02177 0.381 11.42844 H ? A ? 84 H 1
   ATOM 2008 HA B ALA A 85 ? -10.72802 24.18784 2.18918 0.381 10.73358 H ? A ? 84 HA 1
   ATOM 2009 HB1 B ALA A 85 ? -11.59101 26.31390 2.64789 0.381 12.57550 H ? A ? 84 HB1 1
   ATOM 2010 HB2 B ALA A 85 ? -11.83884 25.91135 1.13130 0.381 12.57550 H ? A ? 84 HB2 1
   ATOM 2011 HB3 B ALA A 85 ? -13.02650 25.81800 2.18213 0.381 12.57550 H ? A ? 84 HB3 1
   ATOM 2012 N C ALA A 85 ? -12.43053 23.37302 1.56234 0.619 9.49596 N ? A ? 84 N 1
   ATOM 2013 CA C ALA A 85 ? -11.66521 24.28524 2.39624 0.619 8.93877 C ? A ? 84 CA 1
   ATOM 2014 C C ALA A 85 ? -11.89632 23.95582 3.88193 0.619 7.70615 C ? A ? 84 C 1
   ATOM 2015 O C ALA A 85 ? -10.96058 23.88862 4.69040 0.619 7.48008 O ? A ? 84 O 1
   ATOM 2016 CB C ALA A 85 ? -12.06559 25.72826 2.09104 0.619 10.57115 C ? A ? 84 CB 1
   ATOM 2017 H C ALA A 85 ? -13.01817 23.75299 1.06245 0.619 11.39515 H ? A ? 84 H 1
   ATOM 2018 HA C ALA A 85 ? -10.71919 24.19658 2.20109 0.619 10.72652 H ? A ? 84 HA 1
   ATOM 2019 HB1 C ALA A 85 ? -11.57475 26.32331 2.67917 0.619 12.68538 H ? A ? 84 HB1 1
   ATOM 2020 HB2 C ALA A 85 ? -11.85128 25.92655 1.16602 0.619 12.68538 H ? A ? 84 HB2 1
   ATOM 2021 HB3 C ALA A 85 ? -13.01892 25.82946 2.23873 0.619 12.68538 H ? A ? 84 HB3 1
   ATOM 2022 N B PHE A 86 ? -13.21821 23.85773 4.21244 0.381 8.56811 N ? A ? 85 N 1
   ATOM 2023 CA B PHE A 86 ? -13.60045 23.53803 5.58333 0.381 7.24828 C ? A ? 85 CA 1
   ATOM 2024 C B PHE A 86 ? -12.88664 22.29888 6.10702 0.381 6.02478 C ? A ? 85 C 1
   ATOM 2025 O B PHE A 86 ? -12.25214 22.31670 7.16821 0.381 5.66345 O ? A ? 85 O 1
   ATOM 2026 CB B PHE A 86 ? -15.11147 23.26565 5.67244 0.381 6.22966 C ? A ? 85 CB 1
   ATOM 2027 CG B PHE A 86 ? -15.54188 23.14060 7.08248 0.381 5.94981 C ? A ? 85 CG 1
   ATOM 2028 CD1 B PHE A 86 ? -15.54686 24.22760 7.86764 0.381 7.24410 C ? A ? 85 CD1 1
   ATOM 2029 CD2 B PHE A 86 ? -15.85076 21.90822 7.64513 0.381 6.05350 C ? A ? 85 CD2 1
   ATOM 2030 CE1 B PHE A 86 ? -15.85654 24.16771 9.19055 0.381 8.85326 C ? A ? 85 CE1 1
   ATOM 2031 CE2 B PHE A 86 ? -16.20645 21.81546 8.97029 0.381 10.41364 C ? A ? 85 CE2 1
   ATOM 2032 CZ B PHE A 86 ? -16.20152 22.96137 9.74991 0.381 7.79353 C ? A ? 85 CZ 1
   ATOM 2033 H B PHE A 86 ? -13.88847 23.97140 3.68573 0.381 10.28173 H ? A ? 85 H 1
   ATOM 2034 HA B PHE A 86 ? -13.36243 24.30794 6.12322 0.381 8.69793 H ? A ? 85 HA 1
   ATOM 2035 HB2 B PHE A 86 ? -15.59673 24.00064 5.26599 0.381 7.47559 H ? A ? 85 HB2 1
   ATOM 2036 HB3 B PHE A 86 ? -15.31803 22.43703 5.21240 0.381 7.47559 H ? A ? 85 HB3 1
   ATOM 2037 HD1 B PHE A 86 ? -15.33091 25.05157 7.49436 0.381 8.69293 H ? A ? 85 HD1 1
   ATOM 2038 HD2 B PHE A 86 ? -15.81670 21.14033 7.12160 0.381 7.26420 H ? A ? 85 HD2 1
   ATOM 2039 HE1 B PHE A 86 ? -15.83493 24.93724 9.71232 0.381 10.62391 H ? A ? 85 HE1 1
   ATOM 2040 HE2 B PHE A 86 ? -16.44680 20.99574 9.33798 0.381 12.49637 H ? A ? 85 HE2 1
   ATOM 2041 HZ B PHE A 86 ? -16.43128 22.91370 10.64982 0.381 9.35224 H ? A ? 85 HZ 1
   ATOM 2042 N C PHE A 86 ? -13.16755 23.76383 4.27822 0.619 8.57181 N ? A ? 85 N 1
   ATOM 2043 CA C PHE A 86 ? -13.48592 23.43791 5.68437 0.619 7.49366 C ? A ? 85 CA 1
   ATOM 2044 C C PHE A 86 ? -12.87884 22.08613 6.12245 0.619 5.94008 C ? A ? 85 C 1
   ATOM 2045 O C PHE A 86 ? -12.25251 21.99022 7.18533 0.619 5.56530 O ? A ? 85 O 1
   ATOM 2046 CB C PHE A 86 ? -15.00604 23.57429 5.92808 0.619 6.11342 C ? A ? 85 CB 1
   ATOM 2047 CG C PHE A 86 ? -15.46256 22.87626 7.17374 0.619 6.27257 C ? A ? 85 CG 1
   ATOM 2048 CD1 C PHE A 86 ? -15.24249 23.54015 8.43085 0.619 5.74983 C ? A ? 85 CD1 1
   ATOM 2049 CD2 C PHE A 86 ? -16.10519 21.64756 7.14986 0.619 6.02780 C ? A ? 85 CD2 1
   ATOM 2050 CE1 C PHE A 86 ? -15.66225 22.99741 9.58471 0.619 5.51133 C ? A ? 85 CE1 1
   ATOM 2051 CE2 C PHE A 86 ? -16.48853 21.05333 8.32062 0.619 6.40733 C ? A ? 85 CE2 1
   ATOM 2052 CZ C PHE A 86 ? -16.20722 21.73649 9.55760 0.619 4.71706 C ? A ? 85 CZ 1
   ATOM 2053 H C PHE A 86 ? -13.85413 23.81519 3.76288 0.619 10.28617 H ? A ? 85 H 1
   ATOM 2054 HA C PHE A 86 ? -13.07045 24.08794 6.27238 0.619 8.99240 H ? A ? 85 HA 1
   ATOM 2055 HB2 C PHE A 86 ? -15.22847 24.51463 6.01293 0.619 7.33611 H ? A ? 85 HB2 1
   ATOM 2056 HB3 C PHE A 86 ? -15.48165 23.18740 5.17640 0.619 7.33611 H ? A ? 85 HB3 1
   ATOM 2057 HD1 C PHE A 86 ? -14.80202 24.35912 8.44441 0.619 6.89980 H ? A ? 85 HD1 1
   ATOM 2058 HD2 C PHE A 86 ? -16.27551 21.22762 6.33774 0.619 7.23336 H ? A ? 85 HD2 1
   ATOM 2059 HE1 C PHE A 86 ? -15.58580 23.46480 10.38509 0.619 6.61359 H ? A ? 85 HE1 1
   ATOM 2060 HE2 C PHE A 86 ? -16.91975 20.22935 8.31831 0.619 7.68879 H ? A ? 85 HE2 1
   ATOM 2061 HZ C PHE A 86 ? -16.40033 21.31118 10.36179 0.619 5.66047 H ? A ? 85 HZ 1
   ATOM 2062 N B GLN A 87 ? -13.00490 21.20609 5.33916 0.381 6.30999 N ? A ? 86 N 1
   ATOM 2063 CA B GLN A 87 ? -12.47399 19.89689 5.73365 0.381 7.48847 C ? A ? 86 CA 1
   ATOM 2064 C B GLN A 87 ? -10.95146 19.89595 5.81144 0.381 5.95162 C ? A ? 86 C 1
   ATOM 2065 O B GLN A 87 ? -10.38000 19.24956 6.70115 0.381 6.79181 O ? A ? 86 O 1
   ATOM 2066 CB B GLN A 87 ? -13.07384 18.79049 4.84380 0.381 8.88683 C ? A ? 86 CB 1
   ATOM 2067 CG B GLN A 87 ? -14.64916 18.75004 4.92405 0.381 5.79971 C ? A ? 86 CG 1
   ATOM 2068 CD B GLN A 87 ? -15.27425 17.53269 4.26657 0.381 4.28118 C ? A ? 86 CD 1
   ATOM 2069 OE1 B GLN A 87 ? -15.51134 17.53970 3.06964 0.381 6.58354 O ? A ? 86 OE1 1
   ATOM 2070 NE2 B GLN A 87 ? -15.56258 16.48673 5.03360 0.381 7.08509 N ? A ? 86 NE2 1
   ATOM 2071 H B GLN A 87 ? -13.39471 21.19647 4.57264 0.381 7.57199 H ? A ? 86 H 1
   ATOM 2072 HA B GLN A 87 ? -12.76317 19.67649 6.63293 0.381 8.98617 H ? A ? 86 HA 1
   ATOM 2073 HB2 B GLN A 87 ? -12.82170 18.95289 3.92133 0.381 10.66419 H ? A ? 86 HB2 1
   ATOM 2074 HB3 B GLN A 87 ? -12.73365 17.92974 5.13410 0.381 10.66419 H ? A ? 86 HB3 1
   ATOM 2075 HG2 B GLN A 87 ? -14.91266 18.74766 5.85757 0.381 6.95965 H ? A ? 86 HG2 1
   ATOM 2076 HG3 B GLN A 87 ? -15.00304 19.53730 4.48145 0.381 6.95965 H ? A ? 86 HG3 1
   ATOM 2077 HE21 B GLN A 87 ? -15.39455 16.51239 5.87663 0.381 8.50211 H ? A ? 86 HE21 1
   ATOM 2078 HE22 B GLN A 87 ? -15.91723 15.78410 4.68701 0.381 8.50211 H ? A ? 86 HE22 1
   ATOM 2079 N C GLN A 87 ? -13.06815 21.03082 5.31974 0.619 6.38927 N ? A ? 86 N 1
   ATOM 2080 CA C GLN A 87 ? -12.45539 19.76250 5.68926 0.619 7.39047 C ? A ? 86 CA 1
   ATOM 2081 C C GLN A 87 ? -10.93331 19.85609 5.79585 0.619 5.94047 C ? A ? 86 C 1
   ATOM 2082 O C GLN A 87 ? -10.34309 19.23236 6.69363 0.619 6.72942 O ? A ? 86 O 1
   ATOM 2083 CB C GLN A 87 ? -12.99565 18.63760 4.81510 0.619 9.24982 C ? A ? 86 CB 1
   ATOM 2084 CG C GLN A 87 ? -14.45241 18.24722 5.18526 0.619 8.53513 C ? A ? 86 CG 1
   ATOM 2085 CD C GLN A 87 ? -14.88972 16.90905 4.61756 0.619 12.22445 C ? A ? 86 CD 1
   ATOM 2086 OE1 C GLN A 87 ? -14.98493 15.94397 5.37484 0.619 17.01084 O ? A ? 86 OE1 1
   ATOM 2087 NE2 C GLN A 87 ? -15.12665 16.84167 3.33720 0.619 14.94754 N ? A ? 86 NE2 1
   ATOM 2088 H C GLN A 87 ? -13.52594 21.02847 4.59172 0.619 7.66713 H ? A ? 86 H 1
   ATOM 2089 HA C GLN A 87 ? -12.72384 19.51512 6.58794 0.619 8.86857 H ? A ? 86 HA 1
   ATOM 2090 HB2 C GLN A 87 ? -12.98615 18.92393 3.88837 0.619 11.09979 H ? A ? 86 HB2 1
   ATOM 2091 HB3 C GLN A 87 ? -12.43565 17.85335 4.92579 0.619 11.09979 H ? A ? 86 HB3 1
   ATOM 2092 HG2 C GLN A 87 ? -14.52644 18.19711 6.15113 0.619 10.24216 H ? A ? 86 HG2 1
   ATOM 2093 HG3 C GLN A 87 ? -15.05449 18.92542 4.84111 0.619 10.24216 H ? A ? 86 HG3 1
   ATOM 2094 HE21 C GLN A 87 ? -15.03352 17.54091 2.84528 0.619 17.93704 H ? A ? 86 HE21 1
   ATOM 2095 HE22 C GLN A 87 ? -15.37605 16.09797 2.98461 0.619 17.93704 H ? A ? 86 HE22 1
   ATOM 2096 N . ASP A 88 ? -10.27941 20.62496 4.93779 1.000 6.38073 N ? A ? 87 N 1
   ATOM 2097 CA . ASP A 88 ? -8.82601 20.77059 5.05252 1.000 6.10356 C ? A ? 87 CA 1
   ATOM 2098 C . ASP A 88 ? -8.43385 21.53622 6.31090 1.000 5.79224 C ? A ? 87 C 1
   ATOM 2099 O . ASP A 88 ? -7.45529 21.17657 6.98379 1.000 7.23986 O ? A ? 87 O 1
   ATOM 2100 CB . ASP A 88 ? -8.29968 21.45031 3.81421 1.000 7.26376 C ? A ? 87 CB 1
   ATOM 2101 CG . ASP A 88 ? -8.22509 20.54181 2.61162 1.000 7.18992 C ? A ? 87 CG 1
   ATOM 2102 OD1 . ASP A 88 ? -8.47203 19.34314 2.65492 1.000 10.24146 O ? A ? 87 OD1 1
   ATOM 2103 OD2 . ASP A 88 ? -7.96678 21.15682 1.47800 1.000 8.79326 O ? A ? 87 OD2 1
   ATOM 2104 HA . ASP A 88 ? -8.41870 19.89264 5.11731 1.000 7.32427 H ? A ? 87 HA 1
   ATOM 2105 HB2 . ASP A 88 ? -8.88550 22.19038 3.59062 1.000 8.71651 H ? A ? 87 HB2 1
   ATOM 2106 HB3 . ASP A 88 ? -7.40463 21.77823 3.99382 1.000 8.71651 H ? A ? 87 HB3 1
   ATOM 2107 H B ASP A 88 ? -10.62961 21.04432 4.27364 0.381 7.65687 H ? A ? 87 H 1
   ATOM 2108 H C ASP A 88 ? -10.63925 21.06559 4.29284 0.619 7.65687 H ? A ? 87 H 1
   ATOM 2109 N . ASN A 89 ? -9.19560 22.55250 6.69599 1.000 5.61378 N ? A ? 88 N 1
   ATOM 2110 CA . ASN A 89 ? -8.93541 23.24775 7.96569 1.000 6.52593 C ? A ? 88 CA 1
   ATOM 2111 C . ASN A 89 ? -9.12411 22.29599 9.15165 1.000 5.40664 C ? A ? 88 C 1
   ATOM 2112 O . ASN A 89 ? -8.38141 22.36331 10.12289 1.000 6.61525 O ? A ? 88 O 1
   ATOM 2113 H . ASN A 89 ? -9.86362 22.86176 6.25136 1.000 6.73653 H ? A ? 88 H 1
   ATOM 2114 HA . ASN A 89 ? -8.01523 23.55123 8.01108 1.000 7.83112 H ? A ? 88 HA 1
   ATOM 2115 CB A ASN A 89 ? -9.86453 24.42146 8.14531 0.391 6.33542 C ? A ? 88 CB 1
   ATOM 2116 CG A ASN A 89 ? -9.43373 25.61155 7.38769 0.391 7.38677 C ? A ? 88 CG 1
   ATOM 2117 OD1 A ASN A 89 ? -10.28128 26.40268 6.96497 0.391 10.66222 O ? A ? 88 OD1 1
   ATOM 2118 ND2 A ASN A 89 ? -8.12140 25.83029 7.29920 0.391 7.03647 N ? A ? 88 ND2 1
   ATOM 2119 HB2 A ASN A 89 ? -10.75008 24.17373 7.83654 0.391 7.60250 H ? A ? 88 HB2 1
   ATOM 2120 HB3 A ASN A 89 ? -9.89537 24.65924 9.08521 0.391 7.60250 H ? A ? 88 HB3 1
   ATOM 2121 HD21 A ASN A 89 ? -7.82746 26.51294 6.86655 0.391 8.44377 H ? A ? 88 HD21 1
   ATOM 2122 HD22 A ASN A 89 ? -7.56891 25.28872 7.67477 0.391 8.44377 H ? A ? 88 HD22 1
   ATOM 2123 CB B ASN A 89 ? -9.81683 24.53486 8.04389 0.609 6.37337 C ? A ? 88 CB 1
   ATOM 2124 CG B ASN A 89 ? -9.31707 25.69731 7.11656 0.609 6.56191 C ? A ? 88 CG 1
   ATOM 2125 OD1 B ASN A 89 ? -8.30959 26.22039 7.30860 0.609 7.37866 O ? A ? 88 OD1 1
   ATOM 2126 ND2 B ASN A 89 ? -10.08988 26.04949 6.07864 0.609 7.60508 N ? A ? 88 ND2 1
   ATOM 2127 HB2 B ASN A 89 ? -10.72182 24.31077 7.77618 0.609 7.64804 H ? A ? 88 HB2 1
   ATOM 2128 HB3 B ASN A 89 ? -9.81235 24.86184 8.95711 0.609 7.64804 H ? A ? 88 HB3 1
   ATOM 2129 HD21 B ASN A 89 ? -9.84150 26.68338 5.55320 0.609 9.12610 H ? A ? 88 HD21 1
   ATOM 2130 HD22 B ASN A 89 ? -10.83383 25.64145 5.93851 0.609 9.12610 H ? A ? 88 HD22 1
   ATOM 2131 N . ILE A 90 ? -10.15043 21.41921 9.09899 1.000 6.47780 N ? A ? 89 N 1
   ATOM 2132 CA . ILE A 90 ? -10.33767 20.41696 10.17999 1.000 5.68807 C ? A ? 89 CA 1
   ATOM 2133 C . ILE A 90 ? -9.09190 19.53542 10.32793 1.000 5.46418 C ? A ? 89 C 1
   ATOM 2134 O . ILE A 90 ? -8.67967 19.22911 11.45691 1.000 6.07144 O ? A ? 89 O 1
   ATOM 2135 CB . ILE A 90 ? -11.61083 19.57199 9.95625 1.000 5.88096 C ? A ? 89 CB 1
   ATOM 2136 CG1 . ILE A 90 ? -12.88448 20.45284 10.18095 1.000 6.33566 C ? A ? 89 CG1 1
   ATOM 2137 CG2 . ILE A 90 ? -11.63554 18.33182 10.80749 1.000 8.32556 C ? A ? 89 CG2 1
   ATOM 2138 CD1 . ILE A 90 ? -13.17903 20.82651 11.64199 1.000 6.93508 C ? A ? 89 CD1 1
   ATOM 2139 H . ILE A 90 ? -10.73539 21.38235 8.46965 1.000 7.77336 H ? A ? 89 H 1
   ATOM 2140 HA . ILE A 90 ? -10.46026 20.90535 11.00905 1.000 6.82569 H ? A ? 89 HA 1
   ATOM 2141 HB . ILE A 90 ? -11.60223 19.26672 9.03558 1.000 7.05716 H ? A ? 89 HB 1
   ATOM 2142 HG12 . ILE A 90 ? -12.77411 21.28072 9.68767 1.000 7.60279 H ? A ? 89 HG12 1
   ATOM 2143 HG13 . ILE A 90 ? -13.65454 19.96727 9.84609 1.000 7.60279 H ? A ? 89 HG13 1
   ATOM 2144 HG21 . ILE A 90 ? -12.51969 17.93540 10.76239 1.000 9.99067 H ? A ? 89 HG21 1
   ATOM 2145 HG22 . ILE A 90 ? -10.97480 17.70563 10.47249 1.000 9.99067 H ? A ? 89 HG22 1
   ATOM 2146 HG23 . ILE A 90 ? -11.42769 18.57342 11.72363 1.000 9.99067 H ? A ? 89 HG23 1
   ATOM 2147 HD11 . ILE A 90 ? -13.95623 21.40628 11.66915 1.000 8.32210 H ? A ? 89 HD11 1
   ATOM 2148 HD12 . ILE A 90 ? -13.35293 20.01635 12.14626 1.000 8.32210 H ? A ? 89 HD12 1
   ATOM 2149 HD13 . ILE A 90 ? -12.40955 21.28731 12.01139 1.000 8.32210 H ? A ? 89 HD13 1
   ATOM 2150 N A VAL A 91 ? -8.47276 19.12312 9.22242 0.351 5.88668 N ? A ? 90 N 1
   ATOM 2151 CA A VAL A 91 ? -7.25767 18.30325 9.30616 0.351 5.92296 C ? A ? 90 CA 1
   ATOM 2152 C A VAL A 91 ? -6.15540 19.04951 10.05544 0.351 6.32062 C ? A ? 90 C 1
   ATOM 2153 O A VAL A 91 ? -5.43019 18.46705 10.86961 0.351 6.96880 O ? A ? 90 O 1
   ATOM 2154 CB A VAL A 91 ? -6.79234 17.84765 7.90556 0.351 6.71221 C ? A ? 90 CB 1
   ATOM 2155 CG1 A VAL A 91 ? -5.55179 16.92580 7.97267 0.351 6.11024 C ? A ? 90 CG1 1
   ATOM 2156 CG2 A VAL A 91 ? -7.94323 17.10736 7.17907 0.351 7.35108 C ? A ? 90 CG2 1
   ATOM 2157 H A VAL A 91 ? -8.72914 19.29984 8.42077 0.351 7.06401 H ? A ? 90 H 1
   ATOM 2158 HA A VAL A 91 ? -7.47421 17.50380 9.81103 0.351 7.10755 H ? A ? 90 HA 1
   ATOM 2159 HB A VAL A 91 ? -6.54266 18.64158 7.40732 0.351 8.05465 H ? A ? 90 HB 1
   ATOM 2160 HG11 A VAL A 91 ? -5.38787 16.55234 7.09258 0.351 7.33228 H ? A ? 90 HG11 1
   ATOM 2161 HG12 A VAL A 91 ? -4.78569 17.44760 8.25852 0.351 7.33228 H ? A ? 90 HG12 1
   ATOM 2162 HG13 A VAL A 91 ? -5.72211 16.21290 8.60803 0.351 7.33228 H ? A ? 90 HG13 1
   ATOM 2163 HG21 A VAL A 91 ? -7.60453 16.73246 6.35104 0.351 8.82129 H ? A ? 90 HG21 1
   ATOM 2164 HG22 A VAL A 91 ? -8.27408 16.39824 7.75230 0.351 8.82129 H ? A ? 90 HG22 1
   ATOM 2165 HG23 A VAL A 91 ? -8.65487 17.73870 6.98962 0.351 8.82129 H ? A ? 90 HG23 1
   ATOM 2166 N B VAL A 91 ? -8.47610 19.10730 9.22989 0.649 5.87149 N ? A ? 90 N 1
   ATOM 2167 CA B VAL A 91 ? -7.24605 18.30112 9.32776 0.649 5.91264 C ? A ? 90 CA 1
   ATOM 2168 C B VAL A 91 ? -6.15078 19.05921 10.07714 0.649 6.29947 C ? A ? 90 C 1
   ATOM 2169 O B VAL A 91 ? -5.42449 18.50649 10.91720 0.649 6.95286 O ? A ? 90 O 1
   ATOM 2170 CB B VAL A 91 ? -6.74775 17.83393 7.94206 0.649 6.72105 C ? A ? 90 CB 1
   ATOM 2171 CG1 B VAL A 91 ? -5.33799 17.20927 8.01824 0.649 6.77379 C ? A ? 90 CG1 1
   ATOM 2172 CG2 B VAL A 91 ? -7.77253 16.83797 7.37506 0.649 6.78210 C ? A ? 90 CG2 1
   ATOM 2173 H B VAL A 91 ? -8.73897 19.26284 8.42596 0.649 7.04578 H ? A ? 90 H 1
   ATOM 2174 HA B VAL A 91 ? -7.47450 17.50739 9.83639 0.649 7.09517 H ? A ? 90 HA 1
   ATOM 2175 HB B VAL A 91 ? -6.66811 18.59610 7.34738 0.649 8.06526 H ? A ? 90 HB 1
   ATOM 2176 HG11 B VAL A 91 ? -5.15263 16.74569 7.18659 0.649 8.12855 H ? A ? 90 HG11 1
   ATOM 2177 HG12 B VAL A 91 ? -4.68688 17.91500 8.15577 0.649 8.12855 H ? A ? 90 HG12 1
   ATOM 2178 HG13 B VAL A 91 ? -5.30933 16.58380 8.75909 0.649 8.12855 H ? A ? 90 HG13 1
   ATOM 2179 HG21 B VAL A 91 ? -7.46570 16.52805 6.50863 0.649 8.13852 H ? A ? 90 HG21 1
   ATOM 2180 HG22 B VAL A 91 ? -7.85459 16.08790 7.98461 0.649 8.13852 H ? A ? 90 HG22 1
   ATOM 2181 HG23 B VAL A 91 ? -8.62880 17.28422 7.28252 0.649 8.13852 H ? A ? 90 HG23 1
   ATOM 2182 N . LYS A 92 ? -6.02501 20.36836 9.81761 1.000 6.26361 N ? A ? 91 N 1
   ATOM 2183 CA . LYS A 92 ? -5.03493 21.17667 10.54548 1.000 6.76356 C ? A ? 91 CA 1
   ATOM 2184 C . LYS A 92 ? -5.37107 21.25940 12.03014 1.000 6.40460 C ? A ? 91 C 1
   ATOM 2185 O . LYS A 92 ? -4.47022 21.20658 12.90963 1.000 6.78387 O ? A ? 91 O 1
   ATOM 2186 CB . LYS A 92 ? -4.90026 22.54840 9.88991 1.000 7.01269 C ? A ? 91 CB 1
   ATOM 2187 CG . LYS A 92 ? -3.84128 23.39393 10.48121 1.000 7.68058 C ? A ? 91 CG 1
   ATOM 2188 CD . LYS A 92 ? -3.45295 24.63608 9.69346 1.000 9.12374 C ? A ? 91 CD 1
   ATOM 2189 CE . LYS A 92 ? -2.23331 25.45799 10.20396 1.000 11.46879 C ? A ? 91 CE 1
   ATOM 2190 NZ . LYS A 92 ? -0.98070 24.78681 10.05519 1.000 14.18925 N ? A ? 91 NZ 1
   ATOM 2191 HA . LYS A 92 ? -4.16256 20.75667 10.48662 1.000 8.11628 H ? A ? 91 HA 1
   ATOM 2192 HB2 . LYS A 92 ? -4.69020 22.42528 8.95097 1.000 8.41523 H ? A ? 91 HB2 1
   ATOM 2193 HB3 . LYS A 92 ? -5.74205 23.02143 9.98229 1.000 8.41523 H ? A ? 91 HB3 1
   ATOM 2194 HG2 . LYS A 92 ? -4.14395 23.69307 11.35289 1.000 9.21670 H ? A ? 91 HG2 1
   ATOM 2195 HG3 . LYS A 92 ? -3.04038 22.85482 10.57513 1.000 9.21670 H ? A ? 91 HG3 1
   ATOM 2196 HD2 . LYS A 92 ? -3.24460 24.36124 8.78684 1.000 10.94849 H ? A ? 91 HD2 1
   ATOM 2197 HD3 . LYS A 92 ? -4.21379 25.23775 9.69117 1.000 10.94849 H ? A ? 91 HD3 1
   ATOM 2198 HE2 . LYS A 92 ? -2.18468 26.28759 9.70367 1.000 13.76255 H ? A ? 91 HE2 1
   ATOM 2199 HE3 . LYS A 92 ? -2.35683 25.64629 11.14746 1.000 13.76255 H ? A ? 91 HE3 1
   ATOM 2200 HZ1 . LYS A 92 ? -0.46646 24.94117 10.76500 1.000 17.02710 H ? A ? 91 HZ1 1
   ATOM 2201 HZ2 . LYS A 92 ? -1.11237 23.90990 9.97912 1.000 17.02710 H ? A ? 91 HZ2 1
   ATOM 2202 HZ3 . LYS A 92 ? -0.56271 25.08042 9.32637 1.000 17.02710 H ? A ? 91 HZ3 1
   ATOM 2203 H A LYS A 92 ? -6.49200 20.81150 9.24740 0.351 7.51633 H ? A ? 91 H 1
   ATOM 2204 H B LYS A 92 ? -6.48910 20.80351 9.23894 0.649 7.51633 H ? A ? 91 H 1
   ATOM 2205 N . LEU A 93 ? -6.63973 21.41039 12.37620 1.000 5.75270 N ? A ? 92 N 1
   ATOM 2206 CA . LEU A 93 ? -7.08262 21.39713 13.78112 1.000 5.59600 C ? A ? 92 CA 1
   ATOM 2207 C . LEU A 93 ? -6.79896 20.06627 14.47130 1.000 5.88832 C ? A ? 92 C 1
   ATOM 2208 O . LEU A 93 ? -6.30326 20.05671 15.61737 1.000 6.16175 O ? A ? 92 O 1
   ATOM 2209 CB . LEU A 93 ? -8.56435 21.78896 13.89389 1.000 5.71259 C ? A ? 92 CB 1
   ATOM 2210 CG . LEU A 93 ? -9.15020 21.85123 15.28870 1.000 6.03936 C ? A ? 92 CG 1
   ATOM 2211 CD1 . LEU A 93 ? -8.53560 22.97438 16.10855 1.000 7.71552 C ? A ? 92 CD1 1
   ATOM 2212 CD2 . LEU A 93 ? -10.66904 22.04885 15.18446 1.000 8.13503 C ? A ? 92 CD2 1
   ATOM 2213 H . LEU A 93 ? -7.28263 21.52466 11.81653 1.000 6.90324 H ? A ? 92 H 1
   ATOM 2214 HA . LEU A 93 ? -6.57221 22.07118 14.25656 1.000 6.71519 H ? A ? 92 HA 1
   ATOM 2215 HB2 . LEU A 93 ? -8.67163 22.66957 13.50158 1.000 6.85511 H ? A ? 92 HB2 1
   ATOM 2216 HB3 . LEU A 93 ? -9.08448 21.13858 13.39652 1.000 6.85511 H ? A ? 92 HB3 1
   ATOM 2217 HG . LEU A 93 ? -8.95492 21.02081 15.75040 1.000 7.24723 H ? A ? 92 HG 1
   ATOM 2218 HD11 . LEU A 93 ? -8.96309 23.00048 16.97888 1.000 9.25862 H ? A ? 92 HD11 1
   ATOM 2219 HD12 . LEU A 93 ? -7.58572 22.80694 16.21147 1.000 9.25862 H ? A ? 92 HD12 1
   ATOM 2220 HD13 . LEU A 93 ? -8.67499 23.81563 15.64619 1.000 9.25862 H ? A ? 92 HD13 1
   ATOM 2221 HD21 . LEU A 93 ? -11.04336 22.09658 16.07805 1.000 9.76204 H ? A ? 92 HD21 1
   ATOM 2222 HD22 . LEU A 93 ? -10.84811 22.87362 14.70634 1.000 9.76204 H ? A ? 92 HD22 1
   ATOM 2223 HD23 . LEU A 93 ? -11.05296 21.29833 14.70466 1.000 9.76204 H ? A ? 92 HD23 1
   ATOM 2224 N . SER A 94 ? -7.05099 18.92887 13.79941 1.000 6.35502 N ? A ? 93 N 1
   ATOM 2225 CA . SER A 94 ? -6.65568 17.61868 14.34314 1.000 6.64780 C ? A ? 93 CA 1
   ATOM 2226 C . SER A 94 ? -5.17944 17.56874 14.62070 1.000 5.83148 C ? A ? 93 C 1
   ATOM 2227 O . SER A 94 ? -4.75685 17.04283 15.65778 1.000 6.96396 O ? A ? 93 O 1
   ATOM 2228 CB . SER A 94 ? -7.07197 16.50474 13.39383 1.000 6.31209 C ? A ? 93 CB 1
   ATOM 2229 OG . SER A 94 ? -8.52202 16.35137 13.37184 1.000 8.42712 O ? A ? 93 OG 1
   ATOM 2230 H . SER A 94 ? -7.44482 18.88891 13.03593 1.000 7.62602 H ? A ? 93 H 1
   ATOM 2231 HA . SER A 94 ? -7.12035 17.47502 15.18239 1.000 7.97736 H ? A ? 93 HA 1
   ATOM 2232 HB2 . SER A 94 ? -6.76442 16.72131 12.49973 1.000 7.57450 H ? A ? 93 HB2 1
   ATOM 2233 HB3 . SER A 94 ? -6.67151 15.67234 13.68988 1.000 7.57450 H ? A ? 93 HB3 1
   ATOM 2234 HG . SER A 94 ? -8.87783 17.03233 13.03230 1.000 10.11254 H ? A ? 93 HG 1
   ATOM 2235 N A ALA A 95 ? -4.35917 18.05786 13.69065 0.683 6.34363 N ? A ? 94 N 1
   ATOM 2236 CA A ALA A 95 ? -2.90397 18.03810 13.92371 0.683 6.59276 C ? A ? 94 CA 1
   ATOM 2237 C A ALA A 95 ? -2.52317 18.87346 15.15203 0.683 6.34318 C ? A ? 94 C 1
   ATOM 2238 O A ALA A 95 ? -1.70540 18.44015 16.00356 0.683 6.86905 O ? A ? 94 O 1
   ATOM 2239 CB A ALA A 95 ? -2.12587 18.53655 12.69683 0.683 7.44803 C ? A ? 94 CB 1
   ATOM 2240 H A ALA A 95 ? -4.60491 18.39671 12.93940 0.683 7.61235 H ? A ? 94 H 1
   ATOM 2241 HA A ALA A 95 ? -2.64933 17.11465 14.07633 0.683 7.91131 H ? A ? 94 HA 1
   ATOM 2242 HB1 A ALA A 95 ? -1.17861 18.54449 12.90546 0.683 8.93764 H ? A ? 94 HB1 1
   ATOM 2243 HB2 A ALA A 95 ? -2.29540 17.93950 11.95138 0.683 8.93764 H ? A ? 94 HB2 1
   ATOM 2244 HB3 A ALA A 95 ? -2.42366 19.43313 12.47687 0.683 8.93764 H ? A ? 94 HB3 1
   ATOM 2245 N B ALA A 95 ? -4.35592 18.08472 13.70646 0.317 6.41941 N ? A ? 94 N 1
   ATOM 2246 CA B ALA A 95 ? -2.90544 18.04545 13.93279 0.317 6.63093 C ? A ? 94 CA 1
   ATOM 2247 C B ALA A 95 ? -2.50644 18.88117 15.15132 0.317 6.42293 C ? A ? 94 C 1
   ATOM 2248 O B ALA A 95 ? -1.65079 18.46886 15.95719 0.317 7.02562 O ? A ? 94 O 1
   ATOM 2249 CB B ALA A 95 ? -2.15146 18.52897 12.68960 0.317 7.47910 C ? A ? 94 CB 1
   ATOM 2250 H B ALA A 95 ? -4.60060 18.45252 12.96859 0.317 7.70330 H ? A ? 94 H 1
   ATOM 2251 HA B ALA A 95 ? -2.65066 17.12417 14.09782 0.317 7.95712 H ? A ? 94 HA 1
   ATOM 2252 HB1 B ALA A 95 ? -1.19892 18.51381 12.87217 0.317 8.97492 H ? A ? 94 HB1 1
   ATOM 2253 HB2 B ALA A 95 ? -2.35540 17.93893 11.94720 0.317 8.97492 H ? A ? 94 HB2 1
   ATOM 2254 HB3 B ALA A 95 ? -2.43388 19.43314 12.48075 0.317 8.97492 H ? A ? 94 HB3 1
   ATOM 2255 N . ALA A 96 ? -3.11603 20.04824 15.32654 1.000 7.14196 N ? A ? 95 N 1
   ATOM 2256 CA . ALA A 96 ? -2.80619 20.88293 16.48723 1.000 7.30376 C ? A ? 95 CA 1
   ATOM 2257 C . ALA A 96 ? -3.23263 20.20569 17.78464 1.000 6.60587 C ? A ? 95 C 1
   ATOM 2258 O . ALA A 96 ? -2.47472 20.21497 18.77244 1.000 7.40175 O ? A ? 95 O 1
   ATOM 2259 CB . ALA A 96 ? -3.50254 22.22375 16.34596 1.000 8.85769 C ? A ? 95 CB 1
   ATOM 2260 HA . ALA A 96 ? -1.84795 21.02921 16.52318 1.000 8.76452 H ? A ? 95 HA 1
   ATOM 2261 HB1 . ALA A 96 ? -3.34713 22.74639 17.14820 1.000 10.62923 H ? A ? 95 HB1 1
   ATOM 2262 HB2 . ALA A 96 ? -3.14159 22.68729 15.57411 1.000 10.62923 H ? A ? 95 HB2 1
   ATOM 2263 HB3 . ALA A 96 ? -4.45365 22.07470 16.22736 1.000 10.62923 H ? A ? 95 HB3 1
   ATOM 2264 H A ALA A 96 ? -3.69894 20.38684 14.79253 0.683 8.57035 H ? A ? 95 H 1
   ATOM 2265 H B ALA A 96 ? -3.70667 20.37921 14.79625 0.317 8.57035 H ? A ? 95 H 1
   ATOM 2266 N A ALA A 97 ? -4.46062 19.64236 17.81304 0.403 6.33014 N ? A ? 96 N 1
   ATOM 2267 CA A ALA A 97 ? -4.94980 19.02222 19.02310 0.403 6.91919 C ? A ? 96 CA 1
   ATOM 2268 C A ALA A 97 ? -4.12396 17.78862 19.39302 0.403 6.42584 C ? A ? 96 C 1
   ATOM 2269 O A ALA A 97 ? -3.81005 17.56686 20.57920 0.403 6.86111 O ? A ? 96 O 1
   ATOM 2270 CB A ALA A 97 ? -6.40676 18.69323 18.86698 0.403 6.55064 C ? A ? 96 CB 1
   ATOM 2271 H A ALA A 97 ? -5.00653 19.61527 17.14907 0.403 7.59617 H ? A ? 96 H 1
   ATOM 2272 HA A ALA A 97 ? -4.86864 19.64641 19.76114 0.403 8.30303 H ? A ? 96 HA 1
   ATOM 2273 HB1 A ALA A 97 ? -6.73334 18.30550 19.69397 0.403 7.86076 H ? A ? 96 HB1 1
   ATOM 2274 HB2 A ALA A 97 ? -6.89484 19.50755 18.66805 0.403 7.86076 H ? A ? 96 HB2 1
   ATOM 2275 HB3 A ALA A 97 ? -6.51124 18.05911 18.14044 0.403 7.86076 H ? A ? 96 HB3 1
   ATOM 2276 N B ALA A 97 ? -4.43185 19.60133 17.80487 0.191 6.37380 N ? A ? 96 N 1
   ATOM 2277 CA B ALA A 97 ? -4.90610 18.94449 19.01173 0.191 6.96478 C ? A ? 96 CA 1
   ATOM 2278 C B ALA A 97 ? -4.05913 17.72053 19.34444 0.191 6.47411 C ? A ? 96 C 1
   ATOM 2279 O B ALA A 97 ? -3.80863 17.42271 20.52572 0.191 7.03264 O ? A ? 96 O 1
   ATOM 2280 CB B ALA A 97 ? -6.36637 18.56594 18.84657 0.191 6.71088 C ? A ? 96 CB 1
   ATOM 2281 H B ALA A 97 ? -4.97511 19.56271 17.13930 0.191 7.64856 H ? A ? 96 H 1
   ATOM 2282 HA B ALA A 97 ? -4.83788 19.56042 19.75797 0.191 8.35774 H ? A ? 96 HA 1
   ATOM 2283 HB1 B ALA A 97 ? -6.67421 18.13331 19.65834 0.191 8.05305 H ? A ? 96 HB1 1
   ATOM 2284 HB2 B ALA A 97 ? -6.88441 19.36958 18.68316 0.191 8.05305 H ? A ? 96 HB2 1
   ATOM 2285 HB3 B ALA A 97 ? -6.45213 17.95860 18.09511 0.191 8.05305 H ? A ? 96 HB3 1
   ATOM 2286 N C ALA A 97 ? -4.41439 19.56159 17.77875 0.255 6.36462 N ? A ? 96 N 1
   ATOM 2287 CA C ALA A 97 ? -4.85494 18.79398 18.93614 0.255 6.96659 C ? A ? 96 CA 1
   ATOM 2288 C C ALA A 97 ? -3.91195 17.61907 19.20997 0.255 6.45782 C ? A ? 96 C 1
   ATOM 2289 O C ALA A 97 ? -3.65272 17.25624 20.36963 0.255 7.30744 O ? A ? 96 O 1
   ATOM 2290 CB C ALA A 97 ? -6.29216 18.33115 18.71249 0.255 7.10506 C ? A ? 96 CB 1
   ATOM 2291 H C ALA A 97 ? -4.96761 19.55834 17.12031 0.255 7.63754 H ? A ? 96 H 1
   ATOM 2292 HA C ALA A 97 ? -4.84519 19.35337 19.72854 0.255 8.35991 H ? A ? 96 HA 1
   ATOM 2293 HB1 C ALA A 97 ? -6.59156 17.84149 19.49447 0.255 8.52607 H ? A ? 96 HB1 1
   ATOM 2294 HB2 C ALA A 97 ? -6.85598 19.10800 18.57276 0.255 8.52607 H ? A ? 96 HB2 1
   ATOM 2295 HB3 C ALA A 97 ? -6.32102 17.75670 17.93142 0.255 8.52607 H ? A ? 96 HB3 1
   ATOM 2296 N D ALA A 97 ? -4.41835 19.58137 17.76953 0.151 6.38070 N ? A ? 96 N 1
   ATOM 2297 CA D ALA A 97 ? -4.89220 18.86124 18.94220 0.151 6.95412 C ? A ? 96 CA 1
   ATOM 2298 C D ALA A 97 ? -3.93062 17.73794 19.32025 0.151 6.50464 C ? A ? 96 C 1
   ATOM 2299 O D ALA A 97 ? -3.59047 17.56714 20.50155 0.151 7.03336 O ? A ? 96 O 1
   ATOM 2300 CB D ALA A 97 ? -6.29816 18.32608 18.68176 0.151 7.08147 C ? A ? 96 CB 1
   ATOM 2301 H D ALA A 97 ? -4.95606 19.56339 17.09860 0.151 7.65684 H ? A ? 96 H 1
   ATOM 2302 HA D ALA A 97 ? -4.94249 19.46813 19.69722 0.151 8.34494 H ? A ? 96 HA 1
   ATOM 2303 HB1 D ALA A 97 ? -6.60790 17.85481 19.47098 0.151 8.49776 H ? A ? 96 HB1 1
   ATOM 2304 HB2 D ALA A 97 ? -6.88871 19.07084 18.48817 0.151 8.49776 H ? A ? 96 HB2 1
   ATOM 2305 HB3 D ALA A 97 ? -6.27032 17.72051 17.92453 0.151 8.49776 H ? A ? 96 HB3 1
   ATOM 2306 N A ASP A 98 ? -3.77767 16.97113 18.39547 0.403 6.42575 N ? A ? 97 N 1
   ATOM 2307 CA A ASP A 98 ? -2.94368 15.77588 18.61146 0.403 7.33052 C ? A ? 97 CA 1
   ATOM 2308 C A ASP A 98 ? -1.54247 16.12931 19.17818 0.403 6.75178 C ? A ? 97 C 1
   ATOM 2309 O A ASP A 98 ? -0.98925 15.38341 20.01366 0.403 9.29822 O ? A ? 97 O 1
   ATOM 2310 CB A ASP A 98 ? -2.85334 14.94962 17.32842 0.403 6.87075 C ? A ? 97 CB 1
   ATOM 2311 CG A ASP A 98 ? -4.18082 14.31943 16.90166 0.403 7.04178 C ? A ? 97 CG 1
   ATOM 2312 OD1 A ASP A 98 ? -5.14011 14.17894 17.68149 0.403 7.77195 O ? A ? 97 OD1 1
   ATOM 2313 OD2 A ASP A 98 ? -4.24433 13.93142 15.71098 0.403 9.31936 O ? A ? 97 OD2 1
   ATOM 2314 H A ASP A 98 ? -4.01181 17.08235 17.57547 0.403 7.71090 H ? A ? 97 H 1
   ATOM 2315 HA A ASP A 98 ? -3.37259 15.21416 19.27584 0.403 8.79662 H ? A ? 97 HA 1
   ATOM 2316 HB2 A ASP A 98 ? -2.55486 15.52555 16.60724 0.403 8.24490 H ? A ? 97 HB2 1
   ATOM 2317 HB3 A ASP A 98 ? -2.21603 14.23117 17.46466 0.403 8.24490 H ? A ? 97 HB3 1
   ATOM 2318 N B ASP A 98 ? -3.61806 16.99944 18.31387 0.191 6.96483 N ? A ? 97 N 1
   ATOM 2319 CA B ASP A 98 ? -2.78629 15.81714 18.51673 0.191 7.16117 C ? A ? 97 CA 1
   ATOM 2320 C B ASP A 98 ? -1.39054 16.19031 19.02763 0.191 7.05680 C ? A ? 97 C 1
   ATOM 2321 O B ASP A 98 ? -0.75227 15.38228 19.72154 0.191 8.33368 O ? A ? 97 O 1
   ATOM 2322 CB B ASP A 98 ? -2.70647 15.00288 17.23082 0.191 7.29360 C ? A ? 97 CB 1
   ATOM 2323 CG B ASP A 98 ? -4.04871 14.38378 16.80453 0.191 7.45347 C ? A ? 97 CG 1
   ATOM 2324 OD1 B ASP A 98 ? -5.13080 14.53794 17.42126 0.191 8.23735 O ? A ? 97 OD1 1
   ATOM 2325 OD2 B ASP A 98 ? -4.03311 13.69936 15.76281 0.191 9.51306 O ? A ? 97 OD2 1
   ATOM 2326 H B ASP A 98 ? -3.78603 17.17332 17.48856 0.191 8.35779 H ? A ? 97 H 1
   ATOM 2327 HA B ASP A 98 ? -3.19841 15.25175 19.18859 0.191 8.59341 H ? A ? 97 HA 1
   ATOM 2328 HB2 B ASP A 98 ? -2.40671 15.58198 16.51271 0.191 8.75231 H ? A ? 97 HB2 1
   ATOM 2329 HB3 B ASP A 98 ? -2.07417 14.27850 17.35874 0.191 8.75231 H ? A ? 97 HB3 1
   ATOM 2330 N C ASP A 98 ? -3.38465 17.01319 18.14813 0.255 7.40790 N ? A ? 97 N 1
   ATOM 2331 CA C ASP A 98 ? -2.46275 15.89833 18.30303 0.255 6.67832 C ? A ? 97 CA 1
   ATOM 2332 C C ASP A 98 ? -1.14940 16.36715 18.89732 0.255 7.26368 C ? A ? 97 C 1
   ATOM 2333 O C ASP A 98 ? -0.49272 15.60375 19.62293 0.255 8.38485 O ? A ? 97 O 1
   ATOM 2334 CB C ASP A 98 ? -2.24376 15.22540 16.93903 0.255 7.74841 C ? A ? 97 CB 1
   ATOM 2335 CG C ASP A 98 ? -1.61742 13.82146 17.04772 0.255 9.37134 C ? A ? 97 CG 1
   ATOM 2336 OD1 C ASP A 98 ? -1.60861 13.24153 18.12940 0.255 12.55514 O ? A ? 97 OD1 1
   ATOM 2337 OD2 C ASP A 98 ? -1.17107 13.29732 15.99970 0.255 13.23739 O ? A ? 97 OD2 1
   ATOM 2338 H C ASP A 98 ? -3.54492 17.22883 17.33117 0.255 8.88948 H ? A ? 97 H 1
   ATOM 2339 HA C ASP A 98 ? -2.83950 15.23442 18.90152 0.255 8.01398 H ? A ? 97 HA 1
   ATOM 2340 HB2 C ASP A 98 ? -3.09975 15.13598 16.49161 0.255 9.29809 H ? A ? 97 HB2 1
   ATOM 2341 HB3 C ASP A 98 ? -1.64808 15.77717 16.40835 0.255 9.29809 H ? A ? 97 HB3 1
   ATOM 2342 N D ASP A 98 ? -3.46785 16.97617 18.32355 0.151 7.13799 N ? A ? 97 N 1
   ATOM 2343 CA D ASP A 98 ? -2.52799 15.88887 18.58211 0.151 7.18330 C ? A ? 97 CA 1
   ATOM 2344 C D ASP A 98 ? -1.20972 16.42580 19.13253 0.151 7.15739 C ? A ? 97 C 1
   ATOM 2345 O D ASP A 98 ? -0.59388 15.80884 20.01709 0.151 7.49024 O ? A ? 97 O 1
   ATOM 2346 CB D ASP A 98 ? -2.31644 15.07088 17.31356 0.151 7.53193 C ? A ? 97 CB 1
   ATOM 2347 CG D ASP A 98 ? -3.55730 14.28323 16.90189 0.151 7.59997 C ? A ? 97 CG 1
   ATOM 2348 OD1 D ASP A 98 ? -4.54601 14.17018 17.67793 0.151 9.45556 O ? A ? 97 OD1 1
   ATOM 2349 OD2 D ASP A 98 ? -3.56349 13.74433 15.76421 0.151 10.47246 O ? A ? 97 OD2 1
   ATOM 2350 H D ASP A 98 ? -3.68203 17.06908 17.49584 0.151 8.56559 H ? A ? 97 H 1
   ATOM 2351 HA D ASP A 98 ? -2.90034 15.29231 19.25022 0.151 8.61996 H ? A ? 97 HA 1
   ATOM 2352 HB2 D ASP A 98 ? -2.08713 15.67014 16.58610 0.151 9.03831 H ? A ? 97 HB2 1
   ATOM 2353 HB3 D ASP A 98 ? -1.59602 14.43857 17.46214 0.151 9.03831 H ? A ? 97 HB3 1
   ATOM 2354 N A ALA A 99 ? -0.96736 17.28325 18.77233 0.403 7.43499 N ? A ? 98 N 1
   ATOM 2355 CA A ALA A 99 ? 0.35395 17.70374 19.21538 0.403 8.63037 C ? A ? 98 CA 1
   ATOM 2356 C A ALA A 99 ? 0.29985 18.26143 20.61564 0.403 7.47225 C ? A ? 98 C 1
   ATOM 2357 O A ALA A 99 ? 1.30722 18.25266 21.29906 0.403 7.86014 O ? A ? 98 O 1
   ATOM 2358 CB A ALA A 99 ? 0.91233 18.75524 18.25282 0.403 9.17847 C ? A ? 98 CB 1
   ATOM 2359 H A ALA A 99 ? -1.33732 17.84068 18.23196 0.403 8.92198 H ? A ? 98 H 1
   ATOM 2360 HA A ALA A 99 ? 0.95786 16.94471 19.20797 0.403 10.35645 H ? A ? 98 HA 1
   ATOM 2361 HB1 A ALA A 99 ? 1.78503 19.03918 18.56695 0.403 11.01417 H ? A ? 98 HB1 1
   ATOM 2362 HB2 A ALA A 99 ? 0.99018 18.36422 17.36854 0.403 11.01417 H ? A ? 98 HB2 1
   ATOM 2363 HB3 A ALA A 99 ? 0.30730 19.51300 18.22733 0.403 11.01417 H ? A ? 98 HB3 1
   ATOM 2364 N B ALA A 99 ? -0.89140 17.39657 18.68946 0.191 7.38335 N ? A ? 98 N 1
   ATOM 2365 CA B ALA A 99 ? 0.40736 17.85696 19.15928 0.191 8.34826 C ? A ? 98 CA 1
   ATOM 2366 C B ALA A 99 ? 0.34775 18.39333 20.57760 0.191 7.81253 C ? A ? 98 C 1
   ATOM 2367 O B ALA A 99 ? 1.39895 18.47894 21.22659 0.191 8.13830 O ? A ? 98 O 1
   ATOM 2368 CB B ALA A 99 ? 0.95226 18.93594 18.22069 0.191 9.14369 C ? A ? 98 CB 1
   ATOM 2369 H B ALA A 99 ? -1.29669 17.96301 18.18499 0.191 8.86002 H ? A ? 98 H 1
   ATOM 2370 HA B ALA A 99 ? 1.02983 17.11314 19.14617 0.191 10.01791 H ? A ? 98 HA 1
   ATOM 2371 HB1 B ALA A 99 ? 1.80670 19.24653 18.55887 0.191 10.97243 H ? A ? 98 HB1 1
   ATOM 2372 HB2 B ALA A 99 ? 1.06515 18.55652 17.33514 0.191 10.97243 H ? A ? 98 HB2 1
   ATOM 2373 HB3 B ALA A 99 ? 0.32225 19.67273 18.18702 0.191 10.97243 H ? A ? 98 HB3 1
   ATOM 2374 N C ALA A 99 ? -0.73154 17.59744 18.57453 0.255 7.05094 N ? A ? 98 N 1
   ATOM 2375 CA C ALA A 99 ? 0.50710 18.13323 19.10050 0.255 7.98119 C ? A ? 98 CA 1
   ATOM 2376 C C ALA A 99 ? 0.38927 18.57044 20.55074 0.255 8.03880 C ? A ? 98 C 1
   ATOM 2377 O C ALA A 99 ? 1.44302 18.73829 21.20942 0.255 8.12471 O ? A ? 98 O 1
   ATOM 2378 CB C ALA A 99 ? 0.94590 19.31860 18.25172 0.255 8.93074 C ? A ? 98 CB 1
   ATOM 2379 H C ALA A 99 ? -1.15406 18.13427 18.05215 0.255 8.46113 H ? A ? 98 H 1
   ATOM 2380 HA C ALA A 99 ? 1.19150 17.44745 19.05357 0.255 9.57743 H ? A ? 98 HA 1
   ATOM 2381 HB1 C ALA A 99 ? 1.75877 19.69195 18.62688 0.255 10.71688 H ? A ? 98 HB1 1
   ATOM 2382 HB2 C ALA A 99 ? 1.10919 19.01464 17.34516 0.255 10.71688 H ? A ? 98 HB2 1
   ATOM 2383 HB3 C ALA A 99 ? 0.24278 19.98682 18.25495 0.255 10.71688 H ? A ? 98 HB3 1
   ATOM 2384 N D ALA A 99 ? -0.74725 17.56335 18.60339 0.151 7.17291 N ? A ? 98 N 1
   ATOM 2385 CA D ALA A 99 ? 0.48805 18.15274 19.08920 0.151 8.05934 C ? A ? 98 CA 1
   ATOM 2386 C D ALA A 99 ? 0.38462 18.58475 20.54368 0.151 8.04195 C ? A ? 98 C 1
   ATOM 2387 O D ALA A 99 ? 1.43199 18.74652 21.20091 0.151 8.20108 O ? A ? 98 O 1
   ATOM 2388 CB D ALA A 99 ? 0.85926 19.34740 18.22137 0.151 8.93771 C ? A ? 98 CB 1
   ATOM 2389 H D ALA A 99 ? -1.12955 18.00289 17.97074 0.151 8.60749 H ? A ? 98 H 1
   ATOM 2390 HA D ALA A 99 ? 1.19786 17.49480 19.02453 0.151 9.67121 H ? A ? 98 HA 1
   ATOM 2391 HB1 D ALA A 99 ? 1.66968 19.75100 18.56956 0.151 10.72526 H ? A ? 98 HB1 1
   ATOM 2392 HB2 D ALA A 99 ? 1.00537 19.04374 17.31179 0.151 10.72526 H ? A ? 98 HB2 1
   ATOM 2393 HB3 D ALA A 99 ? 0.13372 19.99086 18.24275 0.151 10.72526 H ? A ? 98 HB3 1
   ATOM 2394 N . GLY A 100 ? -0.83326 18.78792 21.06257 1.000 8.00418 N ? A ? 99 N 1
   ATOM 2395 CA . GLY A 100 ? -0.97994 19.19667 22.44478 1.000 8.34699 C ? A ? 99 CA 1
   ATOM 2396 C . GLY A 100 ? -0.41514 20.54356 22.78934 1.000 7.82972 C ? A ? 99 C 1
   ATOM 2397 O . GLY A 100 ? 0.01399 20.77189 23.92906 1.000 9.59787 O ? A ? 99 O 1
   ATOM 2398 HA2 . GLY A 100 ? -1.92518 19.21236 22.66197 1.000 10.01638 H ? A ? 99 HA2 1
   ATOM 2399 HA3 . GLY A 100 ? -0.53745 18.54206 23.00745 1.000 10.01638 H ? A ? 99 HA3 1
   ATOM 2400 H A GLY A 100 ? -1.53363 18.91840 20.58083 0.403 9.60502 H ? A ? 99 H 1
   ATOM 2401 H B GLY A 100 ? -1.56060 18.82519 20.60519 0.191 9.60502 H ? A ? 99 H 1
   ATOM 2402 H C GLY A 100 ? -1.57163 18.70428 20.62964 0.255 9.60502 H ? A ? 99 H 1
   ATOM 2403 H D GLY A 100 ? -1.57314 18.69481 20.63418 0.151 9.60502 H ? A ? 99 H 1
   ATOM 2404 N . ASP A 101 ? -0.39206 21.47589 21.83450 1.000 9.96462 N ? A ? 100 N 1
   ATOM 2405 CA . ASP A 101 ? 0.13488 22.85184 22.05339 1.000 13.16797 C ? A ? 100 CA 1
   ATOM 2406 C . ASP A 101 ? -0.97054 23.89142 21.85833 1.000 10.34441 C ? A ? 100 C 1
   ATOM 2407 O . ASP A 101 ? -1.59611 23.95549 20.79096 1.000 9.72484 O ? A ? 100 O 1
   ATOM 2408 CB . ASP A 101 ? 1.28702 23.15288 21.11304 1.000 18.51720 C ? A ? 100 CB 1
   ATOM 2409 CG . ASP A 101 ? 2.38888 22.12378 21.19586 1.000 17.70283 C ? A ? 100 CG 1
   ATOM 2410 OD1 . ASP A 101 ? 2.79097 21.85243 22.34594 1.000 23.17485 O ? A ? 100 OD1 1
   ATOM 2411 OD2 . ASP A 101 ? 2.75825 21.61779 20.11115 1.000 25.03249 O ? A ? 100 OD2 1
   ATOM 2412 H . ASP A 101 ? -0.67824 21.34479 21.03418 1.000 11.95755 H ? A ? 100 H 1
   ATOM 2413 HA . ASP A 101 ? 0.43893 22.90973 22.97268 1.000 15.80157 H ? A ? 100 HA 1
   ATOM 2414 HB2 . ASP A 101 ? 0.95628 23.16620 20.20127 1.000 22.22064 H ? A ? 100 HB2 1
   ATOM 2415 HB3 . ASP A 101 ? 1.66478 24.01657 21.34158 1.000 22.22064 H ? A ? 100 HB3 1
   ATOM 2416 N . LEU A 102 ? -1.16288 24.69498 22.86379 1.000 9.61905 N ? A ? 101 N 1
   ATOM 2417 CA . LEU A 102 ? -2.23762 25.67380 22.85273 1.000 8.44582 C ? A ? 101 CA 1
   ATOM 2418 C . LEU A 102 ? -2.04942 26.70887 21.74666 1.000 6.69540 C ? A ? 101 C 1
   ATOM 2419 O . LEU A 102 ? -3.02907 27.15638 21.12950 1.000 6.48125 O ? A ? 101 O 1
   ATOM 2420 CB . LEU A 102 ? -2.39183 26.36430 24.26526 1.000 8.87752 C ? A ? 101 CB 1
   ATOM 2421 CG . LEU A 102 ? -3.48246 27.36208 24.38492 1.000 8.22091 C ? A ? 101 CG 1
   ATOM 2422 CD1 . LEU A 102 ? -4.83347 26.86344 23.98446 1.000 9.01159 C ? A ? 101 CD1 1
   ATOM 2423 CD2 . LEU A 102 ? -3.54089 27.91134 25.84085 1.000 10.17637 C ? A ? 101 CD2 1
   ATOM 2424 H . LEU A 102 ? -0.68641 24.70451 23.57968 1.000 11.54286 H ? A ? 101 H 1
   ATOM 2425 HA . LEU A 102 ? -3.06792 25.20492 22.67483 1.000 10.13498 H ? A ? 101 HA 1
   ATOM 2426 HB2 . LEU A 102 ? -2.56209 25.67226 24.92328 1.000 10.65302 H ? A ? 101 HB2 1
   ATOM 2427 HB3 . LEU A 102 ? -1.56104 26.82070 24.47116 1.000 10.65302 H ? A ? 101 HB3 1
   ATOM 2428 HG . LEU A 102 ? -3.26968 28.07025 23.75714 1.000 9.86509 H ? A ? 101 HG 1
   ATOM 2429 HD11 . LEU A 102 ? -5.47831 27.58061 24.08816 1.000 10.81391 H ? A ? 101 HD11 1
   ATOM 2430 HD12 . LEU A 102 ? -4.80277 26.57762 23.05803 1.000 10.81391 H ? A ? 101 HD12 1
   ATOM 2431 HD13 . LEU A 102 ? -5.07565 26.11604 24.55335 1.000 10.81391 H ? A ? 101 HD13 1
   ATOM 2432 HD21 . LEU A 102 ? -4.27853 28.53711 25.91293 1.000 12.21165 H ? A ? 101 HD21 1
   ATOM 2433 HD22 . LEU A 102 ? -3.67452 27.17060 26.45270 1.000 12.21165 H ? A ? 101 HD22 1
   ATOM 2434 HD23 . LEU A 102 ? -2.70517 28.36047 26.04271 1.000 12.21165 H ? A ? 101 HD23 1
   ATOM 2435 N A ASP A 103 ? -0.81219 27.15168 21.50545 0.593 7.09300 N ? A ? 102 N 1
   ATOM 2436 CA A ASP A 103 ? -0.59297 28.11768 20.44276 0.593 6.99098 C ? A ? 102 CA 1
   ATOM 2437 C A ASP A 103 ? -1.11442 27.61607 19.09427 0.593 6.78401 C ? A ? 102 C 1
   ATOM 2438 O A ASP A 103 ? -1.86114 28.33690 18.39821 0.593 6.75244 O ? A ? 102 O 1
   ATOM 2439 CB A ASP A 103 ? 0.84972 28.61457 20.33077 0.593 9.31139 C ? A ? 102 CB 1
   ATOM 2440 CG A ASP A 103 ? 1.87910 27.56390 20.01058 0.593 10.60426 C ? A ? 102 CG 1
   ATOM 2441 OD1 A ASP A 103 ? 1.71685 26.34187 20.23785 0.593 10.08036 O ? A ? 102 OD1 1
   ATOM 2442 OD2 A ASP A 103 ? 3.01906 28.00647 19.64831 0.593 13.98098 O ? A ? 102 OD2 1
   ATOM 2443 H A ASP A 103 ? -0.10607 26.91187 21.93380 0.593 8.51160 H ? A ? 102 H 1
   ATOM 2444 HA A ASP A 103 ? -1.10433 28.90050 20.70084 0.593 8.38918 H ? A ? 102 HA 1
   ATOM 2445 HB2 A ASP A 103 ? 0.88906 29.27962 19.62574 0.593 11.17367 H ? A ? 102 HB2 1
   ATOM 2446 HB3 A ASP A 103 ? 1.10100 29.01417 21.17817 0.593 11.17367 H ? A ? 102 HB3 1
   ATOM 2447 N B ASP A 103 ? -0.81132 27.15935 21.49475 0.407 7.12328 N ? A ? 102 N 1
   ATOM 2448 CA B ASP A 103 ? -0.60256 28.08519 20.38194 0.407 7.07325 C ? A ? 102 CA 1
   ATOM 2449 C B ASP A 103 ? -1.11249 27.49254 19.05477 0.407 6.75077 C ? A ? 102 C 1
   ATOM 2450 O B ASP A 103 ? -1.74038 28.17594 18.22694 0.407 6.03401 O ? A ? 102 O 1
   ATOM 2451 CB B ASP A 103 ? 0.85103 28.59277 20.27334 0.407 9.24109 C ? A ? 102 CB 1
   ATOM 2452 CG B ASP A 103 ? 1.92812 27.51507 20.30880 0.407 9.92903 C ? A ? 102 CG 1
   ATOM 2453 OD1 B ASP A 103 ? 1.72100 26.31705 20.06154 0.407 9.75768 O ? A ? 102 OD1 1
   ATOM 2454 OD2 B ASP A 103 ? 3.11675 27.89221 20.51451 0.407 13.10772 O ? A ? 102 OD2 1
   ATOM 2455 H B ASP A 103 ? -0.10460 26.95034 21.93800 0.407 8.54794 H ? A ? 102 H 1
   ATOM 2456 HA B ASP A 103 ? -1.12270 28.88102 20.57434 0.407 8.48789 H ? A ? 102 HA 1
   ATOM 2457 HB2 B ASP A 103 ? 0.94653 29.06778 19.43302 0.407 11.08930 H ? A ? 102 HB2 1
   ATOM 2458 HB3 B ASP A 103 ? 1.02069 29.19397 21.01542 0.407 11.08930 H ? A ? 102 HB3 1
   ATOM 2459 N A LYS A 104 ? -0.68304 26.39606 18.67828 0.593 6.65038 N ? A ? 103 N 1
   ATOM 2460 CA A LYS A 104 ? -1.11246 25.86311 17.38864 0.593 7.10598 C ? A ? 103 CA 1
   ATOM 2461 C A LYS A 104 ? -2.60564 25.63408 17.40645 0.593 6.67781 C ? A ? 103 C 1
   ATOM 2462 O A LYS A 104 ? -3.25071 25.72299 16.36147 0.593 6.56697 O ? A ? 103 O 1
   ATOM 2463 CB A LYS A 104 ? -0.38397 24.55530 16.98402 0.593 9.70646 C ? A ? 103 CB 1
   ATOM 2464 CG A LYS A 104 ? 1.09785 24.63998 16.93988 0.593 15.77368 C ? A ? 103 CG 1
   ATOM 2465 CD A LYS A 104 ? 1.72621 23.29018 16.64720 0.593 21.97561 C ? A ? 103 CD 1
   ATOM 2466 CE A LYS A 104 ? 3.25175 23.40003 16.56778 0.593 26.71974 C ? A ? 103 CE 1
   ATOM 2467 NZ A LYS A 104 ? 3.81928 23.69035 17.90891 0.593 35.18487 N ? A ? 103 NZ 1
   ATOM 2468 H A LYS A 104 ? -0.15581 25.88159 19.12207 0.593 7.98046 H ? A ? 103 H 1
   ATOM 2469 HA A LYS A 104 ? -0.86929 26.51480 16.71257 0.593 8.52717 H ? A ? 103 HA 1
   ATOM 2470 HB2 A LYS A 104 ? -0.61527 23.86565 17.62572 0.593 11.64775 H ? A ? 103 HB2 1
   ATOM 2471 HB3 A LYS A 104 ? -0.68554 24.29904 16.09842 0.593 11.64775 H ? A ? 103 HB3 1
   ATOM 2472 HG2 A LYS A 104 ? 1.36329 25.25740 16.24042 0.593 18.92841 H ? A ? 103 HG2 1
   ATOM 2473 HG3 A LYS A 104 ? 1.42729 24.94943 17.79814 0.593 18.92841 H ? A ? 103 HG3 1
   ATOM 2474 HD2 A LYS A 104 ? 1.49984 22.66786 17.35598 0.593 26.37073 H ? A ? 103 HD2 1
   ATOM 2475 HD3 A LYS A 104 ? 1.39776 22.95839 15.79695 0.593 26.37073 H ? A ? 103 HD3 1
   ATOM 2476 HE2 A LYS A 104 ? 3.62226 22.56204 16.24935 0.593 32.06368 H ? A ? 103 HE2 1
   ATOM 2477 HE3 A LYS A 104 ? 3.49527 24.12051 15.96571 0.593 32.06368 H ? A ? 103 HE3 1
   ATOM 2478 HZ1 A LYS A 104 ? 4.70423 23.76796 17.85465 0.593 42.22184 H ? A ? 103 HZ1 1
   ATOM 2479 HZ2 A LYS A 104 ? 3.48143 24.45095 18.22426 0.593 42.22184 H ? A ? 103 HZ2 1
   ATOM 2480 HZ3 A LYS A 104 ? 3.62121 23.03069 18.47257 0.593 42.22184 H ? A ? 103 HZ3 1
   ATOM 2481 N B LYS A 104 ? -0.85632 26.20968 18.83140 0.407 7.46154 N ? A ? 103 N 1
   ATOM 2482 CA B LYS A 104 ? -1.34060 25.55375 17.61082 0.407 8.22166 C ? A ? 103 CA 1
   ATOM 2483 C B LYS A 104 ? -2.87403 25.47634 17.58724 0.407 5.84573 C ? A ? 103 C 1
   ATOM 2484 O B LYS A 104 ? -3.49894 25.69089 16.52775 0.407 6.52504 O ? A ? 103 O 1
   ATOM 2485 CB B LYS A 104 ? -0.67601 24.17510 17.48117 0.407 5.99541 C ? A ? 103 CB 1
   ATOM 2486 CG B LYS A 104 ? 0.88609 24.28110 17.34896 0.407 8.70475 C ? A ? 103 CG 1
   ATOM 2487 CD B LYS A 104 ? 1.53717 22.93157 17.25180 0.407 12.34638 C ? A ? 103 CD 1
   ATOM 2488 CE B LYS A 104 ? 3.05998 23.00112 17.25838 0.407 13.10951 C ? A ? 103 CE 1
   ATOM 2489 NZ B LYS A 104 ? 3.61652 21.67201 16.91460 0.407 31.38184 N ? A ? 103 NZ 1
   ATOM 2490 H B LYS A 104 ? -0.41079 25.69763 19.35952 0.407 8.95385 H ? A ? 103 H 1
   ATOM 2491 HA B LYS A 104 ? -1.08438 26.07057 16.83098 0.407 9.86599 H ? A ? 103 HA 1
   ATOM 2492 HB2 B LYS A 104 ? -0.87831 23.64898 18.27057 0.407 7.19449 H ? A ? 103 HB2 1
   ATOM 2493 HB3 B LYS A 104 ? -1.01764 23.73049 16.68964 0.407 7.19449 H ? A ? 103 HB3 1
   ATOM 2494 HG2 B LYS A 104 ? 1.10527 24.78103 16.54714 0.407 10.44570 H ? A ? 103 HG2 1
   ATOM 2495 HG3 B LYS A 104 ? 1.24244 24.73327 18.12964 0.407 10.44570 H ? A ? 103 HG3 1
   ATOM 2496 HD2 B LYS A 104 ? 1.26002 22.39253 18.00912 0.407 14.81566 H ? A ? 103 HD2 1
   ATOM 2497 HD3 B LYS A 104 ? 1.26162 22.50742 16.42412 0.407 14.81566 H ? A ? 103 HD3 1
   ATOM 2498 HE2 B LYS A 104 ? 3.36247 23.64721 16.60114 0.407 15.73141 H ? A ? 103 HE2 1
   ATOM 2499 HE3 B LYS A 104 ? 3.37379 23.25373 18.14077 0.407 15.73141 H ? A ? 103 HE3 1
   ATOM 2500 HZ1 B LYS A 104 ? 4.50548 21.69569 16.95052 0.407 37.65821 H ? A ? 103 HZ1 1
   ATOM 2501 HZ2 B LYS A 104 ? 3.32044 21.06016 17.48912 0.407 37.65821 H ? A ? 103 HZ2 1
   ATOM 2502 HZ3 B LYS A 104 ? 3.36673 21.44084 16.09225 0.407 37.65821 H ? A ? 103 HZ3 1
   ATOM 2503 N A LEU A 105 ? -3.16753 25.24127 18.56193 0.593 6.52989 N ? A ? 104 N 1
   ATOM 2504 CA A LEU A 105 ? -4.59006 25.00158 18.64373 0.593 5.35072 C ? A ? 104 CA 1
   ATOM 2505 C A LEU A 105 ? -5.32476 26.29930 18.36140 0.593 5.20376 C ? A ? 104 C 1
   ATOM 2506 O A LEU A 105 ? -6.27722 26.31859 17.56044 0.593 5.19302 O ? A ? 104 O 1
   ATOM 2507 CB A LEU A 105 ? -4.98033 24.47180 20.01995 0.593 5.99439 C ? A ? 104 CB 1
   ATOM 2508 CG A LEU A 105 ? -6.47396 24.07607 20.17713 0.593 5.71185 C ? A ? 104 CG 1
   ATOM 2509 CD1 A LEU A 105 ? -6.77999 22.71254 19.49589 0.593 7.30304 C ? A ? 104 CD1 1
   ATOM 2510 CD2 A LEU A 105 ? -6.87485 24.06517 21.64111 0.593 9.25592 C ? A ? 104 CD2 1
   ATOM 2511 H A LEU A 105 ? -2.74062 25.11153 19.29713 0.593 7.83587 H ? A ? 104 H 1
   ATOM 2512 HA A LEU A 105 ? -4.83825 24.32363 17.99590 0.593 6.42087 H ? A ? 104 HA 1
   ATOM 2513 HB2 A LEU A 105 ? -4.44927 23.68145 20.20494 0.593 7.19327 H ? A ? 104 HB2 1
   ATOM 2514 HB3 A LEU A 105 ? -4.79128 25.15981 20.67706 0.593 7.19327 H ? A ? 104 HB3 1
   ATOM 2515 HG A LEU A 105 ? -7.01641 24.74213 19.72657 0.593 6.85422 H ? A ? 104 HG 1
   ATOM 2516 HD11 A LEU A 105 ? -7.71709 22.49811 19.62537 0.593 8.76365 H ? A ? 104 HD11 1
   ATOM 2517 HD12 A LEU A 105 ? -6.58441 22.78198 18.54836 0.593 8.76365 H ? A ? 104 HD12 1
   ATOM 2518 HD13 A LEU A 105 ? -6.22497 22.02660 19.89881 0.593 8.76365 H ? A ? 104 HD13 1
   ATOM 2519 HD21 A LEU A 105 ? -7.81430 23.83357 21.70957 0.593 11.10710 H ? A ? 104 HD21 1
   ATOM 2520 HD22 A LEU A 105 ? -6.33721 23.40853 22.11088 0.593 11.10710 H ? A ? 104 HD22 1
   ATOM 2521 HD23 A LEU A 105 ? -6.72324 24.94659 22.01663 0.593 11.10710 H ? A ? 104 HD23 1
   ATOM 2522 N B LEU A 105 ? -3.50989 25.12579 18.71388 0.407 5.21027 N ? A ? 104 N 1
   ATOM 2523 CA B LEU A 105 ? -4.97867 25.13428 18.80342 0.407 5.49713 C ? A ? 104 CA 1
   ATOM 2524 C B LEU A 105 ? -5.57166 26.49419 18.43201 0.407 4.13163 C ? A ? 104 C 1
   ATOM 2525 O B LEU A 105 ? -6.58368 26.56779 17.73954 0.407 5.42182 O ? A ? 104 O 1
   ATOM 2526 CB B LEU A 105 ? -5.42157 24.69970 20.21512 0.407 4.91760 C ? A ? 104 CB 1
   ATOM 2527 CG B LEU A 105 ? -6.88520 24.69356 20.52339 0.407 6.19315 C ? A ? 104 CG 1
   ATOM 2528 CD1 B LEU A 105 ? -7.45541 23.66429 19.57924 0.407 7.45980 C ? A ? 104 CD1 1
   ATOM 2529 CD2 B LEU A 105 ? -7.22160 24.39310 21.91383 0.407 7.94247 C ? A ? 104 CD2 1
   ATOM 2530 H B LEU A 105 ? -3.11722 24.87983 19.43839 0.407 6.25233 H ? A ? 104 H 1
   ATOM 2531 HA B LEU A 105 ? -5.32636 24.49122 18.16586 0.407 6.59656 H ? A ? 104 HA 1
   ATOM 2532 HB2 B LEU A 105 ? -5.10356 23.79444 20.35752 0.407 5.90113 H ? A ? 104 HB2 1
   ATOM 2533 HB3 B LEU A 105 ? -5.00570 25.30148 20.85215 0.407 5.90113 H ? A ? 104 HB3 1
   ATOM 2534 HG B LEU A 105 ? -7.26591 25.57798 20.40612 0.407 7.43178 H ? A ? 104 HG 1
   ATOM 2535 HD11 B LEU A 105 ? -8.40497 23.56846 19.75259 0.407 8.95176 H ? A ? 104 HD11 1
   ATOM 2536 HD12 B LEU A 105 ? -7.31403 23.96042 18.66643 0.407 8.95176 H ? A ? 104 HD12 1
   ATOM 2537 HD13 B LEU A 105 ? -7.00531 22.81763 19.72579 0.407 8.95176 H ? A ? 104 HD13 1
   ATOM 2538 HD21 B LEU A 105 ? -8.18680 24.37897 22.00926 0.407 9.53097 H ? A ? 104 HD21 1
   ATOM 2539 HD22 B LEU A 105 ? -6.85337 23.52673 22.14771 0.407 9.53097 H ? A ? 104 HD22 1
   ATOM 2540 HD23 B LEU A 105 ? -6.84268 25.07888 22.48570 0.407 9.53097 H ? A ? 104 HD23 1
   ATOM 2541 N A ARG A 106 ? -4.88399 27.40540 18.98112 0.593 5.35396 N ? A ? 105 N 1
   ATOM 2542 CA A ARG A 106 ? -5.51688 28.71327 18.75298 0.593 5.63399 C ? A ? 105 CA 1
   ATOM 2543 C A ARG A 106 ? -5.51429 29.06852 17.24478 0.593 5.63574 C ? A ? 105 C 1
   ATOM 2544 O A ARG A 106 ? -6.54296 29.51173 16.67254 0.593 5.98235 O ? A ? 105 O 1
   ATOM 2545 CB A ARG A 106 ? -4.81578 29.81200 19.57773 0.593 5.67541 C ? A ? 105 CB 1
   ATOM 2546 CG A ARG A 106 ? -5.07820 29.67413 21.07708 0.593 4.70561 C ? A ? 105 CG 1
   ATOM 2547 CD A ARG A 106 ? -4.03974 30.36432 21.96877 0.593 6.66994 C ? A ? 105 CD 1
   ATOM 2548 NE A ARG A 106 ? -3.66155 31.74703 21.70237 0.593 6.14479 N ? A ? 105 NE 1
   ATOM 2549 CZ A ARG A 106 ? -4.20157 32.82457 22.30080 0.593 6.45835 C ? A ? 105 CZ 1
   ATOM 2550 NH1 A ARG A 106 ? -5.24990 32.73227 23.10671 0.593 7.39938 N ? A ? 105 NH1 1
   ATOM 2551 NH2 A ARG A 106 ? -3.60937 34.02950 22.18530 0.593 7.17983 N ? A ? 105 NH2 1
   ATOM 2552 H A ARG A 106 ? -4.22555 27.42563 19.53397 0.593 6.42476 H ? A ? 105 H 1
   ATOM 2553 HA A ARG A 106 ? -6.43716 28.66841 19.05625 0.593 6.76079 H ? A ? 105 HA 1
   ATOM 2554 HB2 A ARG A 106 ? -3.85841 29.75470 19.43260 0.593 6.81049 H ? A ? 105 HB2 1
   ATOM 2555 HB3 A ARG A 106 ? -5.14319 30.67947 19.29277 0.593 6.81049 H ? A ? 105 HB3 1
   ATOM 2556 HG2 A ARG A 106 ? -5.94254 30.06594 21.27786 0.593 5.64673 H ? A ? 105 HG2 1
   ATOM 2557 HG3 A ARG A 106 ? -5.07995 28.73157 21.30613 0.593 5.64673 H ? A ? 105 HG3 1
   ATOM 2558 HD2 A ARG A 106 ? -4.38208 30.34884 22.87621 0.593 8.00393 H ? A ? 105 HD2 1
   ATOM 2559 HD3 A ARG A 106 ? -3.22164 29.84605 21.91393 0.593 8.00393 H ? A ? 105 HD3 1
   ATOM 2560 HE A ARG A 106 ? -3.04596 31.88455 21.11779 0.593 7.37375 H ? A ? 105 HE 1
   ATOM 2561 HH11 A ARG A 106 ? -5.60708 31.96542 23.26150 0.593 8.87926 H ? A ? 105 HH11 1
   ATOM 2562 HH12 A ARG A 106 ? -5.57287 33.43924 23.47480 0.593 8.87926 H ? A ? 105 HH12 1
   ATOM 2563 HH21 A ARG A 106 ? -2.88520 34.11070 21.72860 0.593 8.61580 H ? A ? 105 HH21 1
   ATOM 2564 HH22 A ARG A 106 ? -3.95561 34.71728 22.56828 0.593 8.61580 H ? A ? 105 HH22 1
   ATOM 2565 N B ARG A 106 ? -5.04631 27.56384 19.03811 0.407 5.09386 N ? A ? 105 N 1
   ATOM 2566 CA B ARG A 106 ? -5.56568 28.89345 18.75526 0.407 5.41412 C ? A ? 105 CA 1
   ATOM 2567 C B ARG A 106 ? -5.51145 29.18300 17.25385 0.407 5.76780 C ? A ? 105 C 1
   ATOM 2568 O B ARG A 106 ? -6.49641 29.69838 16.68759 0.407 5.94175 O ? A ? 105 O 1
   ATOM 2569 CB B ARG A 106 ? -4.83998 29.96369 19.56674 0.407 5.68915 C ? A ? 105 CB 1
   ATOM 2570 CG B ARG A 106 ? -5.35070 29.97049 21.00703 0.407 5.39712 C ? A ? 105 CG 1
   ATOM 2571 CD B ARG A 106 ? -4.34326 30.56853 21.97498 0.407 5.87788 C ? A ? 105 CD 1
   ATOM 2572 NE B ARG A 106 ? -4.00317 31.96143 21.68527 0.407 4.54880 N ? A ? 105 NE 1
   ATOM 2573 CZ B ARG A 106 ? -4.54149 33.03098 22.24860 0.407 6.16060 C ? A ? 105 CZ 1
   ATOM 2574 NH1 B ARG A 106 ? -5.64358 32.94024 22.94523 0.407 5.92327 N ? A ? 105 NH1 1
   ATOM 2575 NH2 B ARG A 106 ? -3.97027 34.23076 22.06162 0.407 6.32105 N ? A ? 105 NH2 1
   ATOM 2576 H B ARG A 106 ? -4.40071 27.54215 19.60585 0.407 6.11263 H ? A ? 105 H 1
   ATOM 2577 HA B ARG A 106 ? -6.49310 28.92865 19.03731 0.407 6.49695 H ? A ? 105 HA 1
   ATOM 2578 HB2 B ARG A 106 ? -3.88828 29.77637 19.57497 0.407 6.82698 H ? A ? 105 HB2 1
   ATOM 2579 HB3 B ARG A 106 ? -5.00308 30.83580 19.17467 0.407 6.82698 H ? A ? 105 HB3 1
   ATOM 2580 HG2 B ARG A 106 ? -6.16325 30.49819 21.05381 0.407 6.47654 H ? A ? 105 HG2 1
   ATOM 2581 HG3 B ARG A 106 ? -5.53078 29.05875 21.28488 0.407 6.47654 H ? A ? 105 HG3 1
   ATOM 2582 HD2 B ARG A 106 ? -4.71293 30.53483 22.87114 0.407 7.05346 H ? A ? 105 HD2 1
   ATOM 2583 HD3 B ARG A 106 ? -3.52465 30.04978 21.93407 0.407 7.05346 H ? A ? 105 HD3 1
   ATOM 2584 HE B ARG A 106 ? -3.39547 32.09827 21.09233 0.407 5.45856 H ? A ? 105 HE 1
   ATOM 2585 HH11 B ARG A 106 ? -6.02917 32.17772 23.04261 0.407 7.10792 H ? A ? 105 HH11 1
   ATOM 2586 HH12 B ARG A 106 ? -5.98319 33.64304 23.30624 0.407 7.10792 H ? A ? 105 HH12 1
   ATOM 2587 HH21 B ARG A 106 ? -3.26134 34.29905 21.57959 0.407 7.58525 H ? A ? 105 HH21 1
   ATOM 2588 HH22 B ARG A 106 ? -4.31311 34.93138 22.42382 0.407 7.58525 H ? A ? 105 HH22 1
   ATOM 2589 N . ALA A 107 ? -4.37851 28.89911 16.60098 1.000 5.26250 N ? A ? 106 N 1
   ATOM 2590 CA . ALA A 107 ? -4.27540 29.24958 15.18007 1.000 5.80051 C ? A ? 106 CA 1
   ATOM 2591 C . ALA A 107 ? -5.19824 28.40334 14.32718 1.000 5.50230 C ? A ? 106 C 1
   ATOM 2592 O . ALA A 107 ? -5.93033 28.92674 13.45152 1.000 6.24757 O ? A ? 106 O 1
   ATOM 2593 CB . ALA A 107 ? -2.82697 29.07718 14.71235 1.000 7.15836 C ? A ? 106 CB 1
   ATOM 2594 HA . ALA A 107 ? -4.53491 30.17809 15.07320 1.000 6.96061 H ? A ? 106 HA 1
   ATOM 2595 HB1 . ALA A 107 ? -2.76791 29.31419 13.77361 1.000 8.59003 H ? A ? 106 HB1 1
   ATOM 2596 HB2 . ALA A 107 ? -2.25441 29.65846 15.23693 1.000 8.59003 H ? A ? 106 HB2 1
   ATOM 2597 HB3 . ALA A 107 ? -2.56275 28.15225 14.83724 1.000 8.59003 H ? A ? 106 HB3 1
   ATOM 2598 H A ALA A 107 ? -3.65597 28.58805 16.94852 0.593 6.31500 H ? A ? 106 H 1
   ATOM 2599 H B ALA A 107 ? -3.68557 28.52084 16.94207 0.407 6.31500 H ? A ? 106 H 1
   ATOM 2600 N . ALA A 108 ? -5.23880 27.06890 14.55536 1.000 5.65119 N ? A ? 107 N 1
   ATOM 2601 CA . ALA A 108 ? -6.09152 26.18900 13.75424 1.000 5.96946 C ? A ? 107 CA 1
   ATOM 2602 C . ALA A 108 ? -7.56004 26.41698 14.01659 1.000 5.25728 C ? A ? 107 C 1
   ATOM 2603 O . ALA A 108 ? -8.38347 26.27958 13.09506 1.000 5.91313 O ? A ? 107 O 1
   ATOM 2604 CB . ALA A 108 ? -5.67203 24.73476 13.95932 1.000 6.56619 C ? A ? 107 CB 1
   ATOM 2605 H . ALA A 108 ? -4.78475 26.66244 15.16218 1.000 6.78143 H ? A ? 107 H 1
   ATOM 2606 HA . ALA A 108 ? -5.96238 26.38800 12.81369 1.000 7.16335 H ? A ? 107 HA 1
   ATOM 2607 HB1 . ALA A 108 ? -6.17837 24.17155 13.35326 1.000 7.87942 H ? A ? 107 HB1 1
   ATOM 2608 HB2 . ALA A 108 ? -4.72352 24.65063 13.77448 1.000 7.87942 H ? A ? 107 HB2 1
   ATOM 2609 HB3 . ALA A 108 ? -5.85398 24.48007 14.87743 1.000 7.87942 H ? A ? 107 HB3 1
   ATOM 2610 N A PHE A 109 ? -7.90618 26.70949 15.26971 0.723 5.63099 N ? A ? 108 N 1
   ATOM 2611 CA A PHE A 109 ? -9.29454 27.00599 15.62494 0.723 6.39328 C ? A ? 108 CA 1
   ATOM 2612 C A PHE A 109 ? -9.77520 28.23142 14.83370 0.723 6.07594 C ? A ? 108 C 1
   ATOM 2613 O A PHE A 109 ? -10.86311 28.20762 14.25997 0.723 6.65016 O ? A ? 108 O 1
   ATOM 2614 CB A PHE A 109 ? -9.40236 27.23410 17.13788 0.723 6.43413 C ? A ? 108 CB 1
   ATOM 2615 CG A PHE A 109 ? -10.83321 27.53728 17.64734 0.723 5.78674 C ? A ? 108 CG 1
   ATOM 2616 CD1 A PHE A 109 ? -11.29819 28.80462 17.77992 0.723 7.50106 C ? A ? 108 CD1 1
   ATOM 2617 CD2 A PHE A 109 ? -11.63523 26.48145 18.07068 0.723 6.64242 C ? A ? 108 CD2 1
   ATOM 2618 CE1 A PHE A 109 ? -12.55016 29.02526 18.33201 0.723 9.90589 C ? A ? 108 CE1 1
   ATOM 2619 CE2 A PHE A 109 ? -12.88107 26.70237 18.60182 0.723 6.40119 C ? A ? 108 CE2 1
   ATOM 2620 CZ A PHE A 109 ? -13.29740 27.98944 18.76958 0.723 7.22323 C ? A ? 108 CZ 1
   ATOM 2621 H A PHE A 109 ? -7.35913 26.74333 15.93243 0.723 6.75719 H ? A ? 108 H 1
   ATOM 2622 HA A PHE A 109 ? -9.87020 26.25590 15.40844 0.723 7.67194 H ? A ? 108 HA 1
   ATOM 2623 HB2 A PHE A 109 ? -9.09387 26.43480 17.59270 0.723 7.72095 H ? A ? 108 HB2 1
   ATOM 2624 HB3 A PHE A 109 ? -8.84163 27.98882 17.37637 0.723 7.72095 H ? A ? 108 HB3 1
   ATOM 2625 HD1 A PHE A 109 ? -10.77830 29.52356 17.50111 0.723 9.00128 H ? A ? 108 HD1 1
   ATOM 2626 HD2 A PHE A 109 ? -11.32083 25.60974 17.99208 0.723 7.97090 H ? A ? 108 HD2 1
   ATOM 2627 HE1 A PHE A 109 ? -12.87780 29.89285 18.40153 0.723 11.88707 H ? A ? 108 HE1 1
   ATOM 2628 HE2 A PHE A 109 ? -13.42888 25.99019 18.84187 0.723 7.68143 H ? A ? 108 HE2 1
   ATOM 2629 HZ A PHE A 109 ? -14.10885 28.15668 19.19206 0.723 8.66788 H ? A ? 108 HZ 1
   ATOM 2630 N B PHE A 109 ? -7.92695 26.76223 15.25377 0.277 5.63405 N ? A ? 108 N 1
   ATOM 2631 CA B PHE A 109 ? -9.32775 27.03365 15.57948 0.277 6.45610 C ? A ? 108 CA 1
   ATOM 2632 C B PHE A 109 ? -9.81286 28.29165 14.85176 0.277 6.07230 C ? A ? 108 C 1
   ATOM 2633 O B PHE A 109 ? -10.95543 28.36045 14.35964 0.277 7.02067 O ? A ? 108 O 1
   ATOM 2634 CB B PHE A 109 ? -9.41478 27.16394 17.09088 0.277 6.40461 C ? A ? 108 CB 1
   ATOM 2635 CG B PHE A 109 ? -10.80290 27.22810 17.62587 0.277 5.44898 C ? A ? 108 CG 1
   ATOM 2636 CD1 B PHE A 109 ? -11.48399 26.06617 17.97510 0.277 3.25198 C ? A ? 108 CD1 1
   ATOM 2637 CD2 B PHE A 109 ? -11.41172 28.45134 17.80835 0.277 6.08998 C ? A ? 108 CD2 1
   ATOM 2638 CE1 B PHE A 109 ? -12.75817 26.14522 18.50195 0.277 3.86804 C ? A ? 108 CE1 1
   ATOM 2639 CE2 B PHE A 109 ? -12.68950 28.54064 18.40845 0.277 7.79835 C ? A ? 108 CE2 1
   ATOM 2640 CZ B PHE A 109 ? -13.35044 27.36395 18.71115 0.277 3.58177 C ? A ? 108 CZ 1
   ATOM 2641 H B PHE A 109 ? -7.38785 26.84584 15.91859 0.277 6.76086 H ? A ? 108 H 1
   ATOM 2642 HA B PHE A 109 ? -9.91393 26.31415 15.29733 0.277 7.74732 H ? A ? 108 HA 1
   ATOM 2643 HB2 B PHE A 109 ? -8.98117 26.39497 17.49285 0.277 7.68553 H ? A ? 108 HB2 1
   ATOM 2644 HB3 B PHE A 109 ? -8.96012 27.97822 17.35757 0.277 7.68553 H ? A ? 108 HB3 1
   ATOM 2645 HD1 B PHE A 109 ? -11.08138 25.23665 17.85381 0.277 3.90237 H ? A ? 108 HD1 1
   ATOM 2646 HD2 B PHE A 109 ? -10.97748 29.22656 17.53383 0.277 7.30798 H ? A ? 108 HD2 1
   ATOM 2647 HE1 B PHE A 109 ? -13.21798 25.36583 18.71645 0.277 4.64165 H ? A ? 108 HE1 1
   ATOM 2648 HE2 B PHE A 109 ? -13.07413 29.36676 18.59413 0.277 9.35802 H ? A ? 108 HE2 1
   ATOM 2649 HZ B PHE A 109 ? -14.21080 27.40002 19.06240 0.277 4.29812 H ? A ? 108 HZ 1
   ATOM 2650 N . GLY A 110 ? -8.93610 29.27933 14.74981 1.000 6.88460 N ? A ? 109 N 1
   ATOM 2651 CA . GLY A 110 ? -9.25633 30.46291 13.95356 1.000 7.83783 C ? A ? 109 CA 1
   ATOM 2652 C . GLY A 110 ? -9.43341 30.11234 12.48069 1.000 7.13527 C ? A ? 109 C 1
   ATOM 2653 O . GLY A 110 ? -10.36044 30.62429 11.80181 1.000 7.76403 O ? A ? 109 O 1
   ATOM 2654 HA2 . GLY A 110 ? -10.07950 30.85994 14.27863 1.000 9.40540 H ? A ? 109 HA2 1
   ATOM 2655 HA3 . GLY A 110 ? -8.53969 31.11169 14.03359 1.000 9.40540 H ? A ? 109 HA3 1
   ATOM 2656 H A GLY A 110 ? -8.17471 29.32534 15.14699 0.723 8.26152 H ? A ? 109 H 1
   ATOM 2657 H B GLY A 110 ? -8.16138 29.29393 15.12288 0.277 8.26152 H ? A ? 109 H 1
   ATOM 2658 N . ASP A 111 ? -8.56611 29.25495 11.94766 1.000 6.27411 N ? A ? 110 N 1
   ATOM 2659 CA . ASP A 111 ? -8.66510 28.84885 10.54577 1.000 6.69105 C ? A ? 110 CA 1
   ATOM 2660 C . ASP A 111 ? -10.03163 28.16461 10.29760 1.000 5.26000 C ? A ? 110 C 1
   ATOM 2661 O . ASP A 111 ? -10.74654 28.46931 9.31052 1.000 6.39564 O ? A ? 110 O 1
   ATOM 2662 CB . ASP A 111 ? -7.51766 27.88136 10.20229 1.000 7.12960 C ? A ? 110 CB 1
   ATOM 2663 CG . ASP A 111 ? -6.04604 28.50814 10.21844 1.000 8.38774 C ? A ? 110 CG 1
   ATOM 2664 OD1 . ASP A 111 ? -5.98667 29.76808 10.12820 1.000 11.82277 O ? A ? 110 OD1 1
   ATOM 2665 OD2 . ASP A 111 ? -5.09875 27.72581 10.45325 1.000 9.22610 O ? A ? 110 OD2 1
   ATOM 2666 H . ASP A 111 ? -7.91206 28.89353 12.37333 1.000 7.52893 H ? A ? 110 H 1
   ATOM 2667 HA . ASP A 111 ? -8.58653 29.62715 9.97222 1.000 8.02926 H ? A ? 110 HA 1
   ATOM 2668 HB2 . ASP A 111 ? -7.52753 27.15708 10.84744 1.000 8.55552 H ? A ? 110 HB2 1
   ATOM 2669 HB3 . ASP A 111 ? -7.67077 27.53300 9.31005 1.000 8.55552 H ? A ? 110 HB3 1
   ATOM 2670 N . VAL A 112 ? -10.39347 27.19750 11.14934 1.000 5.38209 N ? A ? 111 N 1
   ATOM 2671 CA . VAL A 112 ? -11.67920 26.50493 11.01566 1.000 5.37678 C ? A ? 111 CA 1
   ATOM 2672 C . VAL A 112 ? -12.83238 27.51026 11.09610 1.000 5.99481 C ? A ? 111 C 1
   ATOM 2673 O . VAL A 112 ? -13.75240 27.50134 10.25637 1.000 6.04851 O ? A ? 111 O 1
   ATOM 2674 CB . VAL A 112 ? -11.79835 25.37225 12.04277 1.000 4.65790 C ? A ? 111 CB 1
   ATOM 2675 CG1 . VAL A 112 ? -13.22880 24.79917 12.03945 1.000 6.00998 C ? A ? 111 CG1 1
   ATOM 2676 CG2 . VAL A 112 ? -10.78537 24.24449 11.74290 1.000 6.22582 C ? A ? 111 CG2 1
   ATOM 2677 H . VAL A 112 ? -9.91491 26.92498 11.80988 1.000 6.45850 H ? A ? 111 H 1
   ATOM 2678 HA . VAL A 112 ? -11.72258 26.08995 10.13998 1.000 6.45214 H ? A ? 111 HA 1
   ATOM 2679 HB . VAL A 112 ? -11.60203 25.73364 12.92126 1.000 5.58948 H ? A ? 111 HB 1
   ATOM 2680 HG11 . VAL A 112 ? -13.24133 23.97825 12.55600 1.000 7.21197 H ? A ? 111 HG11 1
   ATOM 2681 HG12 . VAL A 112 ? -13.83016 25.44876 12.43607 1.000 7.21197 H ? A ? 111 HG12 1
   ATOM 2682 HG13 . VAL A 112 ? -13.49438 24.61819 11.12423 1.000 7.21197 H ? A ? 111 HG13 1
   ATOM 2683 HG21 . VAL A 112 ? -10.79470 23.60864 12.47537 1.000 7.47099 H ? A ? 111 HG21 1
   ATOM 2684 HG22 . VAL A 112 ? -11.03999 23.80244 10.91788 1.000 7.47099 H ? A ? 111 HG22 1
   ATOM 2685 HG23 . VAL A 112 ? -9.90038 24.63096 11.65161 1.000 7.47099 H ? A ? 111 HG23 1
   ATOM 2686 N . GLY A 113 ? -12.82205 28.36038 12.13164 1.000 6.58689 N ? A ? 112 N 1
   ATOM 2687 CA . GLY A 113 ? -13.93745 29.28855 12.32984 1.000 8.29741 C ? A ? 112 CA 1
   ATOM 2688 C . GLY A 113 ? -14.16807 30.18367 11.11575 1.000 8.24923 C ? A ? 112 C 1
   ATOM 2689 O . GLY A 113 ? -15.31932 30.47496 10.76249 1.000 8.93111 O ? A ? 112 O 1
   ATOM 2690 H . GLY A 113 ? -12.19621 28.41761 12.71871 1.000 7.90426 H ? A ? 112 H 1
   ATOM 2691 HA2 . GLY A 113 ? -14.74913 28.78450 12.49721 1.000 9.95689 H ? A ? 112 HA2 1
   ATOM 2692 HA3 . GLY A 113 ? -13.75296 29.85371 13.09629 1.000 9.95689 H ? A ? 112 HA3 1
   ATOM 2693 N . ALA A 114 ? -13.10112 30.68376 10.50841 1.000 8.39825 N ? A ? 113 N 1
   ATOM 2694 CA . ALA A 114 ? -13.28312 31.49458 9.30482 1.000 9.78505 C ? A ? 113 CA 1
   ATOM 2695 C . ALA A 114 ? -13.94843 30.70848 8.21043 1.000 7.53555 C ? A ? 113 C 1
   ATOM 2696 O . ALA A 114 ? -14.73283 31.26856 7.41669 1.000 7.24916 O ? A ? 113 O 1
   ATOM 2697 CB . ALA A 114 ? -11.92855 32.05513 8.88749 1.000 12.25857 C ? A ? 113 CB 1
   ATOM 2698 H . ALA A 114 ? -12.28618 30.57483 10.76061 1.000 10.07790 H ? A ? 113 H 1
   ATOM 2699 HA . ALA A 114 ? -13.86885 32.24614 9.48642 1.000 11.74206 H ? A ? 113 HA 1
   ATOM 2700 HB1 . ALA A 114 ? -12.04527 32.60995 8.10044 1.000 14.71029 H ? A ? 113 HB1 1
   ATOM 2701 HB2 . ALA A 114 ? -11.56832 32.58535 9.61551 1.000 14.71029 H ? A ? 113 HB2 1
   ATOM 2702 HB3 . ALA A 114 ? -11.33009 31.31851 8.68714 1.000 14.71029 H ? A ? 113 HB3 1
   ATOM 2703 N A SER A 115 ? -13.63613 29.42228 8.06619 0.388 6.71117 N ? A ? 114 N 1
   ATOM 2704 CA A SER A 115 ? -14.28485 28.57762 7.05525 0.388 7.04516 C ? A ? 114 CA 1
   ATOM 2705 C A SER A 115 ? -15.78891 28.34056 7.32679 0.388 5.91424 C ? A ? 114 C 1
   ATOM 2706 O A SER A 115 ? -16.61166 28.33333 6.38870 0.388 6.92992 O ? A ? 114 O 1
   ATOM 2707 CB A SER A 115 ? -13.49747 27.26729 6.99141 0.388 9.12674 C ? A ? 114 CB 1
   ATOM 2708 OG A SER A 115 ? -13.45738 26.66740 5.73989 0.388 8.88239 O ? A ? 114 OG 1
   ATOM 2709 H A SER A 115 ? -13.05034 29.00814 8.54046 0.388 8.05340 H ? A ? 114 H 1
   ATOM 2710 HA A SER A 115 ? -14.26131 29.01834 6.19148 0.388 8.45419 H ? A ? 114 HA 1
   ATOM 2711 HB2 A SER A 115 ? -12.58507 27.45321 7.26320 0.388 10.95209 H ? A ? 114 HB2 1
   ATOM 2712 HB3 A SER A 115 ? -13.90694 26.64202 7.60969 0.388 10.95209 H ? A ? 114 HB3 1
   ATOM 2713 HG A SER A 115 ? -13.17581 27.21442 5.16797 0.388 10.65887 H ? A ? 114 HG 1
   ATOM 2714 N C SER A 115 ? -13.56834 29.43828 8.06750 0.297 6.65293 N ? A ? 114 N 1
   ATOM 2715 CA C SER A 115 ? -14.09104 28.61149 6.99400 0.297 7.08230 C ? A ? 114 CA 1
   ATOM 2716 C C SER A 115 ? -15.53399 28.18939 7.23652 0.297 5.55593 C ? A ? 114 C 1
   ATOM 2717 O C SER A 115 ? -16.30938 28.06884 6.28230 0.297 6.37245 O ? A ? 114 O 1
   ATOM 2718 CB C SER A 115 ? -13.18465 27.40318 6.75816 0.297 7.54107 C ? A ? 114 CB 1
   ATOM 2719 OG C SER A 115 ? -13.69547 26.60796 5.70166 0.297 8.80122 O ? A ? 114 OG 1
   ATOM 2720 H C SER A 115 ? -13.00865 29.03501 8.58104 0.297 7.98351 H ? A ? 114 H 1
   ATOM 2721 HA C SER A 115 ? -14.08700 29.13393 6.17672 0.297 8.49876 H ? A ? 114 HA 1
   ATOM 2722 HB2 C SER A 115 ? -12.29602 27.71278 6.52279 0.297 9.04929 H ? A ? 114 HB2 1
   ATOM 2723 HB3 C SER A 115 ? -13.14674 26.87062 7.56800 0.297 9.04929 H ? A ? 114 HB3 1
   ATOM 2724 HG C SER A 115 ? -14.48296 26.37216 5.87442 0.297 10.56147 H ? A ? 114 HG 1
   ATOM 2725 N D SER A 115 ? -13.59377 29.42450 8.02408 0.315 6.67501 N ? A ? 114 N 1
   ATOM 2726 CA D SER A 115 ? -14.28724 28.62366 7.00559 0.315 7.02554 C ? A ? 114 CA 1
   ATOM 2727 C D SER A 115 ? -15.72401 28.31247 7.42798 0.315 6.02705 C ? A ? 114 C 1
   ATOM 2728 O D SER A 115 ? -16.63078 28.19134 6.57872 0.315 7.23064 O ? A ? 114 O 1
   ATOM 2729 CB D SER A 115 ? -13.50518 27.34938 6.63540 0.315 7.30706 C ? A ? 114 CB 1
   ATOM 2730 OG D SER A 115 ? -13.43095 26.39798 7.70043 0.315 5.31317 O ? A ? 114 OG 1
   ATOM 2731 H D SER A 115 ? -12.97789 29.01053 8.45872 0.315 8.01001 H ? A ? 114 H 1
   ATOM 2732 HA D SER A 115 ? -14.32448 29.14249 6.18685 0.315 8.43065 H ? A ? 114 HA 1
   ATOM 2733 HB2 D SER A 115 ? -13.94618 26.92896 5.88064 0.315 8.76847 H ? A ? 114 HB2 1
   ATOM 2734 HB3 D SER A 115 ? -12.60200 27.60555 6.39136 0.315 8.76847 H ? A ? 114 HB3 1
   ATOM 2735 HG D SER A 115 ? -12.95601 26.70080 8.32359 0.315 6.37581 H ? A ? 114 HG 1
   ATOM 2736 N A CYS A 116 ? -16.18279 28.15084 8.59927 0.388 6.04755 N ? A ? 115 N 1
   ATOM 2737 CA A CYS A 116 ? -17.61312 28.08139 8.93391 0.388 7.33192 C ? A ? 115 CA 1
   ATOM 2738 C A CYS A 116 ? -18.36557 29.31778 8.43157 0.388 6.22666 C ? A ? 115 C 1
   ATOM 2739 O A CYS A 116 ? -19.38185 29.22681 7.71110 0.388 9.51353 O ? A ? 115 O 1
   ATOM 2740 CB A CYS A 116 ? -17.83143 28.02525 10.45716 0.388 6.87382 C ? A ? 115 CB 1
   ATOM 2741 SG A CYS A 116 ? -16.93589 26.80036 11.37687 0.388 6.96260 S ? A ? 115 SG 1
   ATOM 2742 H A CYS A 116 ? -15.65273 28.06163 9.27059 0.388 7.25706 H ? A ? 115 H 1
   ATOM 2743 HA A CYS A 116 ? -17.95132 27.27245 8.51901 0.388 8.79831 H ? A ? 115 HA 1
   ATOM 2744 HB2 A CYS A 116 ? -17.58098 28.88760 10.82396 0.388 8.24859 H ? A ? 115 HB2 1
   ATOM 2745 HB3 A CYS A 116 ? -18.77387 27.85862 10.61507 0.388 8.24859 H ? A ? 115 HB3 1
   ATOM 2746 N C CYS A 116 ? -15.93679 27.97394 8.49559 0.297 5.69694 N ? A ? 115 N 1
   ATOM 2747 CA C CYS A 116 ? -17.37524 27.85275 8.77357 0.297 7.82815 C ? A ? 115 CA 1
   ATOM 2748 C C CYS A 116 ? -18.15246 29.11051 8.36956 0.297 7.21692 C ? A ? 115 C 1
   ATOM 2749 O C CYS A 116 ? -19.17735 29.01932 7.66783 0.297 9.40955 O ? A ? 115 O 1
   ATOM 2750 CB C CYS A 116 ? -17.65320 27.59457 10.24209 0.297 5.62680 C ? A ? 115 CB 1
   ATOM 2751 SG C CYS A 116 ? -16.69255 26.34001 11.14119 0.297 7.49424 S ? A ? 115 SG 1
   ATOM 2752 H C CYS A 116 ? -15.42021 27.89714 9.17885 0.297 6.83633 H ? A ? 115 H 1
   ATOM 2753 HA C CYS A 116 ? -17.67635 27.09184 8.25276 0.297 9.39378 H ? A ? 115 HA 1
   ATOM 2754 HB2 C CYS A 116 ? -17.51120 28.43077 10.71273 0.297 6.75216 H ? A ? 115 HB2 1
   ATOM 2755 HB3 C CYS A 116 ? -18.58237 27.32605 10.31576 0.297 6.75216 H ? A ? 115 HB3 1
   ATOM 2756 HG C CYS A 116 ? -16.88896 25.26624 10.64273 0.297 8.99309 H ? A ? 115 HG 1
   ATOM 2757 N D CYS A 116 ? -15.94838 28.19087 8.74675 0.315 6.37638 N ? A ? 115 N 1
   ATOM 2758 CA D CYS A 116 ? -17.30760 28.17594 9.28309 0.315 6.79557 C ? A ? 115 CA 1
   ATOM 2759 C D CYS A 116 ? -18.07742 29.38833 8.78333 0.315 8.06604 C ? A ? 115 C 1
   ATOM 2760 O D CYS A 116 ? -19.18035 29.27343 8.26859 0.315 6.29505 O ? A ? 115 O 1
   ATOM 2761 CB D CYS A 116 ? -17.31978 28.22349 10.82895 0.315 7.08784 C ? A ? 115 CB 1
   ATOM 2762 SG D CYS A 116 ? -16.53434 26.85736 11.80175 0.315 5.58058 S ? A ? 115 SG 1
   ATOM 2763 H D CYS A 116 ? -15.33285 28.11640 9.34271 0.315 7.65166 H ? A ? 115 H 1
   ATOM 2764 HA D CYS A 116 ? -17.72012 27.34618 8.99635 0.315 8.15469 H ? A ? 115 HA 1
   ATOM 2765 HB2 D CYS A 116 ? -16.86650 29.03874 11.09503 0.315 8.50541 H ? A ? 115 HB2 1
   ATOM 2766 HB3 D CYS A 116 ? -18.24820 28.25379 11.10828 0.315 8.50541 H ? A ? 115 HB3 1
   ATOM 2767 HG D CYS A 116 ? -15.36499 26.81104 11.53630 0.315 6.69670 H ? A ? 115 HG 1
   ATOM 2768 N A LYS A 117 ? -17.84702 30.48375 8.83258 0.388 8.29726 N ? A ? 116 N 1
   ATOM 2769 CA A LYS A 117 ? -18.45283 31.76092 8.48670 0.388 9.35009 C ? A ? 116 CA 1
   ATOM 2770 C A LYS A 117 ? -18.51075 31.95610 6.96808 0.388 8.70922 C ? A ? 116 C 1
   ATOM 2771 O A LYS A 117 ? -19.49415 32.49039 6.41963 0.388 9.32426 O ? A ? 116 O 1
   ATOM 2772 CB A LYS A 117 ? -17.70671 32.88008 9.20366 0.388 9.64221 C ? A ? 116 CB 1
   ATOM 2773 CG A LYS A 117 ? -18.41068 34.22836 9.04592 0.388 13.05808 C ? A ? 116 CG 1
   ATOM 2774 CD A LYS A 117 ? -17.77557 35.32668 9.90530 0.388 13.21869 C ? A ? 116 CD 1
   ATOM 2775 CE A LYS A 117 ? -18.58964 36.62572 9.85812 0.388 23.87535 C ? A ? 116 CE 1
   ATOM 2776 NZ A LYS A 117 ? -18.72293 37.14040 8.47628 0.388 28.53630 N ? A ? 116 NZ 1
   ATOM 2777 H A LYS A 117 ? -17.13651 30.55864 9.31129 0.388 9.95671 H ? A ? 116 H 1
   ATOM 2778 HA A LYS A 117 ? -19.37208 31.79145 8.79484 0.388 11.22011 H ? A ? 116 HA 1
   ATOM 2779 HB2 A LYS A 117 ? -17.65462 32.67336 10.14995 0.388 11.57065 H ? A ? 116 HB2 1
   ATOM 2780 HB3 A LYS A 117 ? -16.81434 32.95783 8.83145 0.388 11.57065 H ? A ? 116 HB3 1
   ATOM 2781 HG2 A LYS A 117 ? -18.36016 34.50607 8.11790 0.388 15.66970 H ? A ? 116 HG2 1
   ATOM 2782 HG3 A LYS A 117 ? -19.33815 34.13542 9.31438 0.388 15.66970 H ? A ? 116 HG3 1
   ATOM 2783 HD2 A LYS A 117 ? -17.73298 35.02793 10.82717 0.388 15.86242 H ? A ? 116 HD2 1
   ATOM 2784 HD3 A LYS A 117 ? -16.88284 35.51525 9.57608 0.388 15.86242 H ? A ? 116 HD3 1
   ATOM 2785 HE2 A LYS A 117 ? -19.47907 36.45895 10.20740 0.388 28.65042 H ? A ? 116 HE2 1
   ATOM 2786 HE3 A LYS A 117 ? -18.14470 37.30189 10.39266 0.388 28.65042 H ? A ? 116 HE3 1
   ATOM 2787 HZ1 A LYS A 117 ? -19.04872 37.96852 8.49000 0.388 34.24356 H ? A ? 116 HZ1 1
   ATOM 2788 HZ2 A LYS A 117 ? -17.92768 37.14946 8.07680 0.388 34.24356 H ? A ? 116 HZ2 1
   ATOM 2789 HZ3 A LYS A 117 ? -19.27460 36.62067 8.00977 0.388 34.24356 H ? A ? 116 HZ3 1
   ATOM 2790 N C LYS A 117 ? -17.65687 30.29417 8.80277 0.297 7.88367 N ? A ? 116 N 1
   ATOM 2791 CA C LYS A 117 ? -18.31769 31.57534 8.55352 0.297 9.03474 C ? A ? 116 CA 1
   ATOM 2792 C C LYS A 117 ? -18.50536 31.82082 7.05872 0.297 8.78396 C ? A ? 116 C 1
   ATOM 2793 O C LYS A 117 ? -19.57185 32.28138 6.62751 0.297 9.23067 O ? A ? 116 O 1
   ATOM 2794 CB C LYS A 117 ? -17.53366 32.72055 9.20693 0.297 9.63707 C ? A ? 116 CB 1
   ATOM 2795 CG C LYS A 117 ? -18.05434 34.12634 8.86271 0.297 11.15830 C ? A ? 116 CG 1
   ATOM 2796 CD C LYS A 117 ? -17.32158 35.17390 9.68980 0.297 11.87122 C ? A ? 116 CD 1
   ATOM 2797 CE C LYS A 117 ? -17.84634 36.56704 9.42635 0.297 20.38926 C ? A ? 116 CE 1
   ATOM 2798 NZ C LYS A 117 ? -17.16400 37.55011 10.32893 0.297 25.08137 N ? A ? 116 NZ 1
   ATOM 2799 H C LYS A 117 ? -16.92661 30.37385 9.24995 0.297 9.46041 H ? A ? 116 H 1
   ATOM 2800 HA C LYS A 117 ? -19.19678 31.55551 8.96305 0.297 10.84169 H ? A ? 116 HA 1
   ATOM 2801 HB2 C LYS A 117 ? -17.58178 32.61786 10.17028 0.297 11.56448 H ? A ? 116 HB2 1
   ATOM 2802 HB3 C LYS A 117 ? -16.61047 32.66990 8.91359 0.297 11.56448 H ? A ? 116 HB3 1
   ATOM 2803 HG2 C LYS A 117 ? -17.90123 34.31006 7.92265 0.297 13.38997 H ? A ? 116 HG2 1
   ATOM 2804 HG3 C LYS A 117 ? -19.00220 34.18111 9.06137 0.297 13.38997 H ? A ? 116 HG3 1
   ATOM 2805 HD2 C LYS A 117 ? -17.44069 34.97809 10.63233 0.297 14.24546 H ? A ? 116 HD2 1
   ATOM 2806 HD3 C LYS A 117 ? -16.37834 35.15733 9.46413 0.297 14.24546 H ? A ? 116 HD3 1
   ATOM 2807 HE2 C LYS A 117 ? -17.66890 36.81453 8.50539 0.297 24.46711 H ? A ? 116 HE2 1
   ATOM 2808 HE3 C LYS A 117 ? -18.80033 36.59527 9.59955 0.297 24.46711 H ? A ? 116 HE3 1
   ATOM 2809 HZ1 C LYS A 117 ? -17.35502 38.38108 10.07378 0.297 30.09764 H ? A ? 116 HZ1 1
   ATOM 2810 HZ2 C LYS A 117 ? -17.43890 37.43507 11.16756 0.297 30.09764 H ? A ? 116 HZ2 1
   ATOM 2811 HZ3 C LYS A 117 ? -16.28236 37.43312 10.29536 0.297 30.09764 H ? A ? 116 HZ3 1
   ATOM 2812 N D LYS A 117 ? -17.49453 30.57135 8.92549 0.315 7.20177 N ? A ? 116 N 1
   ATOM 2813 CA D LYS A 117 ? -18.19461 31.80165 8.57576 0.315 8.89550 C ? A ? 116 CA 1
   ATOM 2814 C D LYS A 117 ? -18.46915 31.88551 7.07224 0.315 8.79803 C ? A ? 116 C 1
   ATOM 2815 O D LYS A 117 ? -19.56337 32.28925 6.65087 0.315 9.22270 O ? A ? 116 O 1
   ATOM 2816 CB D LYS A 117 ? -17.35779 33.00391 9.02869 0.315 9.07692 C ? A ? 116 CB 1
   ATOM 2817 CG D LYS A 117 ? -17.97848 34.31036 8.60589 0.315 10.76603 C ? A ? 116 CG 1
   ATOM 2818 CD D LYS A 117 ? -17.24355 35.51016 9.18624 0.315 11.15004 C ? A ? 116 CD 1
   ATOM 2819 CE D LYS A 117 ? -17.94461 36.81148 8.84052 0.315 19.61842 C ? A ? 116 CE 1
   ATOM 2820 NZ D LYS A 117 ? -17.25181 37.98311 9.48618 0.315 28.59083 N ? A ? 116 NZ 1
   ATOM 2821 H D LYS A 117 ? -16.69606 30.69135 9.22154 0.315 8.64212 H ? A ? 116 H 1
   ATOM 2822 HA D LYS A 117 ? -19.04915 31.82017 9.03436 0.315 10.67460 H ? A ? 116 HA 1
   ATOM 2823 HB2 D LYS A 117 ? -17.28923 32.99869 9.99625 0.315 10.89231 H ? A ? 116 HB2 1
   ATOM 2824 HB3 D LYS A 117 ? -16.47407 32.94484 8.63315 0.315 10.89231 H ? A ? 116 HB3 1
   ATOM 2825 HG2 D LYS A 117 ? -17.95070 34.37814 7.63866 0.315 12.91924 H ? A ? 116 HG2 1
   ATOM 2826 HG3 D LYS A 117 ? -18.89761 34.34111 8.91436 0.315 12.91924 H ? A ? 116 HG3 1
   ATOM 2827 HD2 D LYS A 117 ? -17.20912 35.42955 10.15227 0.315 13.38004 H ? A ? 116 HD2 1
   ATOM 2828 HD3 D LYS A 117 ? -16.34440 35.54247 8.82377 0.315 13.38004 H ? A ? 116 HD3 1
   ATOM 2829 HE2 D LYS A 117 ? -17.93353 36.93929 7.87904 0.315 23.54211 H ? A ? 116 HE2 1
   ATOM 2830 HE3 D LYS A 117 ? -18.85977 36.78076 9.16059 0.315 23.54211 H ? A ? 116 HE3 1
   ATOM 2831 HZ1 D LYS A 117 ? -17.84032 38.62870 9.65641 0.315 34.30900 H ? A ? 116 HZ1 1
   ATOM 2832 HZ2 D LYS A 117 ? -16.87254 37.72920 10.25023 0.315 34.30900 H ? A ? 116 HZ2 1
   ATOM 2833 HZ3 D LYS A 117 ? -16.62262 38.30165 8.94327 0.315 34.30900 H ? A ? 116 HZ3 1
   ATOM 2834 N . ALA A 118 ? -17.49040 31.52267 6.26646 1.000 7.82228 N ? A ? 117 N 1
   ATOM 2835 CA . ALA A 118 ? -17.58514 31.69827 4.82909 1.000 9.36713 C ? A ? 117 CA 1
   ATOM 2836 C . ALA A 118 ? -18.75634 30.93385 4.24976 1.000 10.46581 C ? A ? 117 C 1
   ATOM 2837 O . ALA A 118 ? -19.52210 31.44528 3.38064 1.000 12.43056 O ? A ? 117 O 1
   ATOM 2838 CB . ALA A 118 ? -16.27789 31.29954 4.16558 1.000 10.16835 C ? A ? 117 CB 1
   ATOM 2839 HA . ALA A 118 ? -17.73392 32.63759 4.63820 1.000 11.24056 H ? A ? 117 HA 1
   ATOM 2840 HB1 . ALA A 118 ? -16.32827 31.50600 3.21915 1.000 12.20202 H ? A ? 117 HB1 1
   ATOM 2841 HB2 . ALA A 118 ? -15.55190 31.79630 4.57431 1.000 12.20202 H ? A ? 117 HB2 1
   ATOM 2842 HB3 . ALA A 118 ? -16.13830 30.34767 4.28952 1.000 12.20202 H ? A ? 117 HB3 1
   ATOM 2843 H A ALA A 118 ? -16.77850 31.14870 6.57132 0.388 9.38673 H ? A ? 117 H 1
   ATOM 2844 H C ALA A 118 ? -16.73392 31.21622 6.53744 0.297 9.38673 H ? A ? 117 H 1
   ATOM 2845 H D ALA A 118 ? -16.75202 31.16827 6.52876 0.315 9.38673 H ? A ? 117 H 1
   ATOM 2846 N A CYS A 119 ? -19.06442 29.75541 4.77261 0.602 10.00971 N ? A ? 118 N 1
   ATOM 2847 CA A CYS A 119 ? -20.29383 29.07922 4.35167 0.602 12.98852 C ? A ? 118 CA 1
   ATOM 2848 C A CYS A 119 ? -21.59744 29.67723 4.87166 0.602 12.65296 C ? A ? 118 C 1
   ATOM 2849 O A CYS A 119 ? -22.60919 29.63841 4.16406 0.602 20.33744 O ? A ? 118 O 1
   ATOM 2850 CB A CYS A 119 ? -20.22451 27.63603 4.78176 0.602 14.77574 C ? A ? 118 CB 1
   ATOM 2851 SG A CYS A 119 ? -19.67005 26.82526 3.49029 0.602 13.37255 S ? A ? 118 SG 1
   ATOM 2852 H A CYS A 119 ? -18.59576 29.33272 5.35682 0.602 12.01165 H ? A ? 118 H 1
   ATOM 2853 HA A CYS A 119 ? -20.32783 29.17335 3.38685 0.602 15.58622 H ? A ? 118 HA 1
   ATOM 2854 HB2 A CYS A 119 ? -19.61266 27.52907 5.52681 0.602 17.73089 H ? A ? 118 HB2 1
   ATOM 2855 HB3 A CYS A 119 ? -21.10428 27.30795 5.02523 0.602 17.73089 H ? A ? 118 HB3 1
   ATOM 2856 N B CYS A 119 ? -18.74012 29.66975 4.52438 0.398 7.95310 N ? A ? 118 N 1
   ATOM 2857 CA B CYS A 119 ? -19.77133 28.95154 3.83921 0.398 7.87466 C ? A ? 118 CA 1
   ATOM 2858 C B CYS A 119 ? -21.12773 29.55202 4.21854 0.398 6.66442 C ? A ? 118 C 1
   ATOM 2859 O B CYS A 119 ? -22.00814 29.74688 3.35213 0.398 7.25405 O ? A ? 118 O 1
   ATOM 2860 CB B CYS A 119 ? -19.67549 27.51909 4.24127 0.398 7.59096 C ? A ? 118 CB 1
   ATOM 2861 SG B CYS A 119 ? -20.89950 26.61115 3.19955 0.398 6.24319 S ? A ? 118 SG 1
   ATOM 2862 H B CYS A 119 ? -18.20405 29.24492 5.04568 0.398 9.54372 H ? A ? 118 H 1
   ATOM 2863 HA B CYS A 119 ? -19.67422 29.00200 2.87541 0.398 9.44959 H ? A ? 118 HA 1
   ATOM 2864 HB2 B CYS A 119 ? -18.78366 27.17685 4.07274 0.398 9.10915 H ? A ? 118 HB2 1
   ATOM 2865 HB3 B CYS A 119 ? -19.89999 27.41263 5.17891 0.398 9.10915 H ? A ? 118 HB3 1
   ATOM 2866 N A HIS A 120 ? -21.64882 30.19068 6.07980 0.602 14.12734 N ? A ? 119 N 1
   ATOM 2867 CA A HIS A 120 ? -22.90092 30.80665 6.52387 0.602 11.70404 C ? A ? 119 CA 1
   ATOM 2868 C A HIS A 120 ? -23.22022 32.03332 5.71408 0.602 19.41680 C ? A ? 119 C 1
   ATOM 2869 O A HIS A 120 ? -24.39642 32.32566 5.44624 0.602 16.04918 O ? A ? 119 O 1
   ATOM 2870 CB A HIS A 120 ? -22.71305 31.21640 7.98859 0.602 24.62073 C ? A ? 119 CB 1
   ATOM 2871 CG A HIS A 120 ? -23.71833 32.19816 8.51257 0.602 24.87233 C ? A ? 119 CG 1
   ATOM 2872 ND1 A HIS A 120 ? -25.01523 31.84829 8.79308 0.602 23.80384 N ? A ? 119 ND1 1
   ATOM 2873 CD2 A HIS A 120 ? -23.61577 33.51309 8.81823 0.602 33.38914 C ? A ? 119 CD2 1
   ATOM 2874 CE1 A HIS A 120 ? -25.66530 32.88680 9.27903 0.602 29.11995 C ? A ? 119 CE1 1
   ATOM 2875 NE2 A HIS A 120 ? -24.84379 33.91978 9.28701 0.602 32.98033 N ? A ? 119 NE2 1
   ATOM 2876 H A HIS A 120 ? -21.00423 30.20089 6.64901 0.602 16.95280 H ? A ? 119 H 1
   ATOM 2877 HA A HIS A 120 ? -23.63340 30.17797 6.42829 0.602 14.04485 H ? A ? 119 HA 1
   ATOM 2878 HB2 A HIS A 120 ? -22.77192 30.41994 8.53913 0.602 29.54487 H ? A ? 119 HB2 1
   ATOM 2879 HB3 A HIS A 120 ? -21.83657 31.62104 8.08317 0.602 29.54487 H ? A ? 119 HB3 1
   ATOM 2880 HD1 A HIS A 120 ? -25.35364 31.06730 8.67005 0.602 28.56460 H ? A ? 119 HD1 1
   ATOM 2881 HD2 A HIS A 120 ? -22.85668 34.04279 8.72814 0.602 40.06697 H ? A ? 119 HD2 1
   ATOM 2882 HE1 A HIS A 120 ? -26.54974 32.89097 9.56653 0.602 34.94394 H ? A ? 119 HE1 1
   ATOM 2883 N B HIS A 120 ? -21.31168 29.91251 5.49222 0.398 10.64241 N ? A ? 119 N 1
   ATOM 2884 CA B HIS A 120 ? -22.59160 30.43059 6.00439 0.398 10.71641 C ? A ? 119 CA 1
   ATOM 2885 C B HIS A 120 ? -23.04546 31.72088 5.30561 0.398 19.88025 C ? A ? 119 C 1
   ATOM 2886 O B HIS A 120 ? -24.18592 31.80642 4.81694 0.398 9.32979 O ? A ? 119 O 1
   ATOM 2887 CB B HIS A 120 ? -22.40844 30.71304 7.49738 0.398 17.13365 C ? A ? 119 CB 1
   ATOM 2888 CG B HIS A 120 ? -22.21888 29.49885 8.32742 0.398 12.78193 C ? A ? 119 CG 1
   ATOM 2889 ND1 B HIS A 120 ? -22.60204 29.45730 9.63864 0.398 24.05816 N ? A ? 119 ND1 1
   ATOM 2890 CD2 B HIS A 120 ? -21.85145 28.23703 7.98863 0.398 16.86752 C ? A ? 119 CD2 1
   ATOM 2891 CE1 B HIS A 120 ? -22.37643 28.24658 10.10008 0.398 13.94285 C ? A ? 119 CE1 1
   ATOM 2892 NE2 B HIS A 120 ? -21.99577 27.45433 9.10543 0.398 12.71978 N ? A ? 119 NE2 1
   ATOM 2893 H B HIS A 120 ? -20.70098 29.86748 6.09605 0.398 12.77089 H ? A ? 119 H 1
   ATOM 2894 HA B HIS A 120 ? -23.27756 29.76368 5.84443 0.398 12.85969 H ? A ? 119 HA 1
   ATOM 2895 HB2 B HIS A 120 ? -21.62533 31.27361 7.61314 0.398 20.56037 H ? A ? 119 HB2 1
   ATOM 2896 HB3 B HIS A 120 ? -23.19709 31.17305 7.82499 0.398 20.56037 H ? A ? 119 HB3 1
   ATOM 2897 HD1 B HIS A 120 ? -22.93444 30.11208 10.08627 0.398 28.86979 H ? A ? 119 HD1 1
   ATOM 2898 HD2 B HIS A 120 ? -21.55620 27.95509 7.15302 0.398 20.24102 H ? A ? 119 HD2 1
   ATOM 2899 HE1 B HIS A 120 ? -22.46941 27.98538 10.98779 0.398 16.73142 H ? A ? 119 HE1 1
   ATOM 2900 N . ASP A 121 ? -22.20287 32.77237 5.33050 1.000 14.43041 N ? A ? 120 N 1
   ATOM 2901 CA . ASP A 121 ? -22.42987 33.98905 4.56298 1.000 15.48467 C ? A ? 120 CA 1
   ATOM 2902 C . ASP A 121 ? -22.97182 33.70999 3.17072 1.000 14.83006 C ? A ? 120 C 1
   ATOM 2903 O . ASP A 121 ? -23.71796 34.54073 2.58966 1.000 18.22994 O ? A ? 120 O 1
   ATOM 2904 CB . ASP A 121 ? -21.13384 34.82910 4.50543 1.000 17.16423 C ? A ? 120 CB 1
   ATOM 2905 CG . ASP A 121 ? -20.66961 35.34276 5.88521 1.000 18.17662 C ? A ? 120 CG 1
   ATOM 2906 OD1 . ASP A 121 ? -21.39270 35.16711 6.89029 1.000 19.01870 O ? A ? 120 OD1 1
   ATOM 2907 OD2 . ASP A 121 ? -19.53369 35.93171 5.91822 1.000 20.35975 O ? A ? 120 OD2 1
   ATOM 2908 HA . ASP A 121 ? -23.10720 34.51612 5.01502 1.000 18.58160 H ? A ? 120 HA 1
   ATOM 2909 HB2 . ASP A 121 ? -20.42220 34.28187 4.13798 1.000 20.59707 H ? A ? 120 HB2 1
   ATOM 2910 HB3 . ASP A 121 ? -21.28591 35.60069 3.93761 1.000 20.59707 H ? A ? 120 HB3 1
   ATOM 2911 H A ASP A 121 ? -21.37683 32.59971 5.49620 0.602 17.31649 H ? A ? 120 H 1
   ATOM 2912 H B ASP A 121 ? -21.48074 32.79594 5.79695 0.398 17.31649 H ? A ? 120 H 1
   ATOM 2913 N . ALA A 122 ? -22.52395 32.62505 2.57515 1.000 17.75399 N ? A ? 121 N 1
   ATOM 2914 CA . ALA A 122 ? -22.99326 32.22497 1.26033 1.000 19.11383 C ? A ? 121 CA 1
   ATOM 2915 C . ALA A 122 ? -24.34052 31.47212 1.27079 1.000 21.26452 C ? A ? 121 C 1
   ATOM 2916 O . ALA A 122 ? -25.12488 31.68946 0.33657 1.000 22.67205 O ? A ? 121 O 1
   ATOM 2917 CB . ALA A 122 ? -21.87460 31.39282 0.62064 1.000 25.51435 C ? A ? 121 CB 1
   ATOM 2918 H . ALA A 122 ? -21.93910 32.09314 2.91369 1.000 21.30479 H ? A ? 121 H 1
   ATOM 2919 HA . ALA A 122 ? -23.16689 33.00618 0.71217 1.000 22.93660 H ? A ? 121 HA 1
   ATOM 2920 HB1 . ALA A 122 ? -22.15339 31.11817 -0.26691 1.000 30.61722 H ? A ? 121 HB1 1
   ATOM 2921 HB2 . ALA A 122 ? -21.07197 31.93440 0.56243 1.000 30.61722 H ? A ? 121 HB2 1
   ATOM 2922 HB3 . ALA A 122 ? -21.70753 30.61196 1.17130 1.000 30.61722 H ? A ? 121 HB3 1
   ATOM 2923 N . TYR A 123 ? -24.63951 30.64704 2.28361 1.000 17.80422 N ? A ? 122 N 1
   ATOM 2924 CA . TYR A 123 ? -25.79682 29.68635 2.25534 1.000 19.78230 C ? A ? 122 CA 1
   ATOM 2925 C . TYR A 123 ? -26.87319 29.72943 3.30673 1.000 27.57886 C ? A ? 122 C 1
   ATOM 2926 O . TYR A 123 ? -27.92005 29.07875 3.11434 1.000 27.54025 O ? A ? 122 O 1
   ATOM 2927 CB . TYR A 123 ? -25.31590 28.23872 2.28904 1.000 25.75787 C ? A ? 122 CB 1
   ATOM 2928 CG . TYR A 123 ? -24.37856 28.07919 1.26910 1.000 11.83908 C ? A ? 122 CG 1
   ATOM 2929 CD1 . TYR A 123 ? -24.73885 28.21602 -0.03494 1.000 15.95011 C ? A ? 122 CD1 1
   ATOM 2930 CD2 . TYR A 123 ? -23.02261 27.77645 1.45512 1.000 34.74983 C ? A ? 122 CD2 1
   ATOM 2931 CE1 . TYR A 123 ? -23.90974 28.09304 -1.10170 1.000 15.49930 C ? A ? 122 CE1 1
   ATOM 2932 CE2 . TYR A 123 ? -22.12346 27.64767 0.36103 1.000 28.78859 C ? A ? 122 CE2 1
   ATOM 2933 CZ . TYR A 123 ? -22.53712 27.78936 -0.91564 1.000 27.39135 C ? A ? 122 CZ 1
   ATOM 2934 OH . TYR A 123 ? -21.64634 27.65897 -1.96690 1.000 42.59375 O ? A ? 122 OH 1
   ATOM 2935 H . TYR A 123 ? -24.19069 30.61143 3.01634 1.000 21.36506 H ? A ? 122 H 1
   ATOM 2936 HA . TYR A 123 ? -26.22482 29.93644 1.42157 1.000 23.73876 H ? A ? 122 HA 1
   ATOM 2937 HB2 . TYR A 123 ? -24.89815 28.04439 3.14263 1.000 30.90944 H ? A ? 122 HB2 1
   ATOM 2938 HB3 . TYR A 123 ? -26.06011 27.63500 2.13881 1.000 30.90944 H ? A ? 122 HB3 1
   ATOM 2939 HD1 . TYR A 123 ? -25.63105 28.41082 -0.21079 1.000 19.14013 H ? A ? 122 HD1 1
   ATOM 2940 HD2 . TYR A 123 ? -22.70156 27.65625 2.31963 1.000 41.69979 H ? A ? 122 HD2 1
   ATOM 2941 HE1 . TYR A 123 ? -24.24419 28.20879 -1.96173 1.000 18.59916 H ? A ? 122 HE1 1
   ATOM 2942 HE2 . TYR A 123 ? -21.22806 27.46117 0.52951 1.000 34.54631 H ? A ? 122 HE2 1
   ATOM 2943 HH . TYR A 123 ? -20.87542 27.50217 -1.67246 1.000 51.11250 H ? A ? 122 HH 1
   ATOM 2944 N . ALA A 124 ? -26.64055 30.30683 4.44979 1.000 25.05590 N ? A ? 123 N 1
   ATOM 2945 CA . ALA A 124 ? -27.72403 30.45073 5.40291 1.000 26.59637 C ? A ? 123 CA 1
   ATOM 2946 C . ALA A 124 ? -28.66289 31.49416 4.82005 1.000 25.95239 C ? A ? 123 C 1
   ATOM 2947 O . ALA A 124 ? -28.23729 32.42226 4.13852 1.000 31.21115 O ? A ? 123 O 1
   ATOM 2948 CB . ALA A 124 ? -27.15080 30.89985 6.73129 1.000 35.54016 C ? A ? 123 CB 1
   ATOM 2949 H . ALA A 124 ? -25.88146 30.62178 4.70317 1.000 30.06708 H ? A ? 123 H 1
   ATOM 2950 HA . ALA A 124 ? -28.21017 29.62837 5.57110 1.000 31.91564 H ? A ? 123 HA 1
   ATOM 2951 HB1 . ALA A 124 ? -27.87728 31.03166 7.36037 1.000 42.64819 H ? A ? 123 HB1 1
   ATOM 2952 HB2 . ALA A 124 ? -26.54688 30.21653 7.06185 1.000 42.64819 H ? A ? 123 HB2 1
   ATOM 2953 HB3 . ALA A 124 ? -26.66972 31.73223 6.60241 1.000 42.64819 H ? A ? 123 HB3 1
   ATOM 2954 N . LYS A 125 ? -29.94586 31.33653 5.08227 1.000 30.95572 N ? A ? 124 N 1
   ATOM 2955 CA . LYS A 125 ? -30.85957 32.32923 4.53964 1.000 39.28952 C ? A ? 124 CA 1
   ATOM 2956 C . LYS A 125 ? -30.68844 33.65675 5.27449 1.000 41.80406 C ? A ? 124 C 1
   ATOM 2957 O . LYS A 125 ? -30.28339 33.70043 6.44036 1.000 39.50469 O ? A ? 124 O 1
   ATOM 2958 CB . LYS A 125 ? -32.29674 31.82693 4.61523 1.000 54.36743 C ? A ? 124 CB 1
   ATOM 2959 CG . LYS A 125 ? -32.88680 31.77583 6.00500 1.000 49.54364 C ? A ? 124 CG 1
   ATOM 2960 CD . LYS A 125 ? -34.39157 32.10368 5.95796 1.000 53.64099 C ? A ? 124 CD 1
   ATOM 2961 CE . LYS A 125 ? -34.90585 32.61835 7.31165 1.000 71.09948 C ? A ? 124 CE 1
   ATOM 2962 NZ . LYS A 125 ? -35.07114 34.12302 7.36800 1.000 73.32347 N ? A ? 124 NZ 1
   ATOM 2963 H . LYS A 125 ? -30.29580 30.70143 5.54465 1.000 37.14686 H ? A ? 124 H 1
   ATOM 2964 HA . LYS A 125 ? -30.66767 32.48826 3.60220 1.000 47.14743 H ? A ? 124 HA 1
   ATOM 2965 HB2 . LYS A 125 ? -32.85543 32.41584 4.08425 1.000 65.24092 H ? A ? 124 HB2 1
   ATOM 2966 HB3 . LYS A 125 ? -32.32616 30.92708 4.25423 1.000 65.24092 H ? A ? 124 HB3 1
   ATOM 2967 HG2 . LYS A 125 ? -32.77473 30.88590 6.37427 1.000 59.45237 H ? A ? 124 HG2 1
   ATOM 2968 HG3 . LYS A 125 ? -32.44491 32.42795 6.57101 1.000 59.45237 H ? A ? 124 HG3 1
   ATOM 2969 HD2 . LYS A 125 ? -34.54881 32.79128 5.29209 1.000 64.36919 H ? A ? 124 HD2 1
   ATOM 2970 HD3 . LYS A 125 ? -34.88708 31.30156 5.72997 1.000 64.36919 H ? A ? 124 HD3 1
   ATOM 2971 HE2 . LYS A 125 ? -35.77168 32.21889 7.48958 1.000 85.31938 H ? A ? 124 HE2 1
   ATOM 2972 HE3 . LYS A 125 ? -34.27479 32.36410 8.00305 1.000 85.31938 H ? A ? 124 HE3 1
   ATOM 2973 HZ1 . LYS A 125 ? -35.36234 34.36734 8.17274 1.000 87.98817 H ? A ? 124 HZ1 1
   ATOM 2974 HZ2 . LYS A 125 ? -34.29095 34.52109 7.21003 1.000 87.98817 H ? A ? 124 HZ2 1
   ATOM 2975 HZ3 . LYS A 125 ? -35.65977 34.38775 6.75519 1.000 87.98817 H ? A ? 124 HZ3 1
   ATOM 2976 N . LYS A 126 ? -31.00405 34.74343 4.57568 1.000 54.11822 N ? A ? 125 N 1
   ATOM 2977 CA . LYS A 126 ? -30.77202 36.08866 5.09074 1.000 53.94452 C ? A ? 125 CA 1
   ATOM 2978 C . LYS A 126 ? -31.70446 36.42216 6.24964 1.000 52.18441 C ? A ? 125 C 1
   ATOM 2979 O . LYS A 126 ? -32.84867 35.95431 6.30008 1.000 56.93745 O ? A ? 125 O 1
   ATOM 2980 CB . LYS A 126 ? -30.93388 37.11685 3.95514 1.000 54.47821 C ? A ? 125 CB 1
   ATOM 2981 CG . LYS A 126 ? -29.75113 37.16420 2.97413 1.000 60.32205 C ? A ? 125 CG 1
   ATOM 2982 CD . LYS A 126 ? -29.77595 35.96577 1.99862 1.000 47.10591 C ? A ? 125 CD 1
   ATOM 2983 CE . LYS A 126 ? -28.66009 34.92541 2.25775 1.000 60.22474 C ? A ? 125 CE 1
   ATOM 2984 NZ . LYS A 126 ? -28.76423 33.75565 1.26167 1.000 54.04114 N ? A ? 125 NZ 1
   ATOM 2985 H . LYS A 126 ? -31.35770 34.72795 3.79191 1.000 64.94187 H ? A ? 125 H 1
   ATOM 2986 HA . LYS A 126 ? -29.86593 36.14482 5.43243 1.000 64.73342 H ? A ? 125 HA 1
   ATOM 2987 HB2 . LYS A 126 ? -31.72927 36.89432 3.44648 1.000 65.37385 H ? A ? 125 HB2 1
   ATOM 2988 HB3 . LYS A 126 ? -31.02671 37.99936 4.34687 1.000 65.37385 H ? A ? 125 HB3 1
   ATOM 2989 HG2 . LYS A 126 ? -29.79762 37.98165 2.45402 1.000 72.38646 H ? A ? 125 HG2 1
   ATOM 2990 HG3 . LYS A 126 ? -28.91925 37.13471 3.47214 1.000 72.38646 H ? A ? 125 HG3 1
   ATOM 2991 HD2 . LYS A 126 ? -30.62859 35.51120 2.08389 1.000 56.52709 H ? A ? 125 HD2 1
   ATOM 2992 HD3 . LYS A 126 ? -29.66576 36.29727 1.09370 1.000 56.52709 H ? A ? 125 HD3 1
   ATOM 2993 HE2 . LYS A 126 ? -27.79294 35.34638 2.14944 1.000 72.26969 H ? A ? 125 HE2 1
   ATOM 2994 HE3 . LYS A 126 ? -28.74786 34.57320 3.15728 1.000 72.26969 H ? A ? 125 HE3 1
   HETATM 2995 N . PCA A 1 ? -29.74988 7.30043 2.08122 1.000 9.50604 N ? A ? 126 N 1
   HETATM 2996 CA . PCA A 1 ? -30.24510 6.76504 3.28889 1.000 9.71857 C ? A ? 126 CA 1
   HETATM 2997 C . PCA A 1 ? -31.52639 7.40400 3.72803 1.000 7.92026 C ? A ? 126 C 1
   HETATM 2998 O . PCA A 1 ? -32.00821 7.18072 4.84088 1.000 9.71486 O ? A ? 126 O 1
   HETATM 2999 CB . PCA A 1 ? -29.12664 7.05369 4.31542 1.000 9.23953 C ? A ? 126 CB 1
   HETATM 3000 CG . PCA A 1 ? -28.37783 8.25098 3.73153 1.000 9.77904 C ? A ? 126 CG 1
   HETATM 3001 CD . PCA A 1 ? -28.76161 8.18138 2.21352 1.000 9.22111 C ? A ? 126 CD 1
   HETATM 3002 OE . PCA A 1 ? -28.20876 8.82984 1.40612 1.000 10.24243 O ? A ? 126 OE 1
   HETATM 3003 H2 . PCA A 1 ? -28.94609 6.94968 1.91866 1.000 11.40724 H ? A ? 126 H2 1
   HETATM 3004 HA . PCA A 1 ? -30.45353 5.82103 3.20950 1.000 11.66229 H ? A ? 126 HA 1
   HETATM 3005 HB2 . PCA A 1 ? -29.50656 7.25310 5.18536 1.000 11.08743 H ? A ? 126 HB2 1
   HETATM 3006 HB3 . PCA A 1 ? -28.55018 6.28020 4.41690 1.000 11.08743 H ? A ? 126 HB3 1
   HETATM 3007 HG2 . PCA A 1 ? -28.65447 9.10409 4.10110 1.000 11.73485 H ? A ? 126 HG2 1
   HETATM 3008 HG3 . PCA A 1 ? -27.41433 8.19589 3.82921 1.000 11.73485 H ? A ? 126 HG3 1
   HETATM 3009 NB A HEC A 128 ? -21.47899 25.43237 10.33541 0.714 6.43782 N ? B ? . NB 1
   HETATM 3010 ND A HEC A 128 ? -24.40869 25.71202 7.71728 0.714 7.99513 N ? B ? . ND 1
   HETATM 3011 C1A A HEC A 128 ? -25.62106 25.97349 10.45667 0.714 7.78275 C ? B ? . C1A 1
   HETATM 3012 C1B A HEC A 128 ? -21.55347 25.59315 11.68646 0.714 8.29931 C ? B ? . C1B 1
   HETATM 3013 C1C A HEC A 128 ? -20.29705 24.98660 7.60274 0.714 5.23349 C ? B ? . C1C 1
   HETATM 3014 C1D A HEC A 128 ? -24.37079 25.59903 6.35263 0.714 7.16132 C ? B ? . C1D 1
   HETATM 3015 C2A A HEC A 128 ? -26.18494 25.97263 11.79595 0.714 9.56290 C ? B ? . C2A 1
   HETATM 3016 C2B A HEC A 128 ? -20.20887 25.63936 12.25719 0.714 8.06224 C ? B ? . C2B 1
   HETATM 3017 C2C A HEC A 128 ? -19.72553 24.88004 6.33222 0.714 6.58373 C ? B ? . C2C 1
   HETATM 3018 C2D A HEC A 128 ? -25.65147 25.73233 5.72231 0.714 9.55278 C ? B ? . C2D 1
   HETATM 3019 C3A A HEC A 128 ? -25.16151 25.86025 12.64788 0.714 9.33823 C ? B ? . C3A 1
   HETATM 3020 C3B A HEC A 128 ? -19.33061 25.35557 11.29538 0.714 6.44386 C ? B ? . C3B 1
   HETATM 3021 C3C A HEC A 128 ? -20.72210 24.94219 5.43839 0.714 5.38076 C ? B ? . C3C 1
   HETATM 3022 C3D A HEC A 128 ? -26.57452 26.02761 6.79517 0.714 10.47170 C ? B ? . C3D 1
   HETATM 3023 C4A A HEC A 128 ? -23.96549 25.80705 11.83905 0.714 7.91121 C ? B ? . C4A 1
   HETATM 3024 C4B A HEC A 128 ? -20.11201 25.27799 10.04846 0.714 6.15100 C ? B ? . C4B 1
   HETATM 3025 C4C A HEC A 128 ? -21.91683 25.18727 6.19697 0.714 6.33918 C ? B ? . C4C 1
   HETATM 3026 C4D A HEC A 128 ? -25.76097 25.98095 8.01265 0.714 8.70194 C ? B ? . C4D 1
   HETATM 3027 CAA A HEC A 128 ? -27.69656 25.99240 12.09801 0.714 11.14156 C ? B ? . CAA 1
   HETATM 3028 CAB A HEC A 128 ? -17.76824 25.22761 11.42117 0.714 8.14640 C ? B ? . CAB 1
   HETATM 3029 CAC A HEC A 128 ? -20.39064 25.37128 4.02509 0.714 2.75892 C ? B ? . CAC 1
   HETATM 3030 CAD A HEC A 128 ? -28.09843 26.30018 6.68833 0.714 12.90185 C ? B ? . CAD 1
   HETATM 3031 CBA A HEC A 128 ? -28.24821 24.58741 11.92507 0.714 14.55621 C ? B ? . CBA 1
   HETATM 3032 CBB A HEC A 128 ? -17.33266 24.30019 12.61207 0.714 8.03843 C ? B ? . CBB 1
   HETATM 3033 CBC A HEC A 128 ? -19.70658 24.06682 3.23524 0.714 7.88906 C ? B ? . CBC 1
   HETATM 3034 CBD A HEC A 128 ? -28.89399 25.11288 7.18554 0.714 17.46259 C ? B ? . CBD 1
   HETATM 3035 CGA A HEC A 128 ? -29.70874 24.44844 12.28318 0.714 32.92753 C ? B ? . CGA 1
   HETATM 3036 CGD A HEC A 128 ? -30.28282 25.51444 7.54935 0.714 19.34149 C ? B ? . CGD 1
   HETATM 3037 CHA A HEC A 128 ? -26.31858 26.09799 9.29982 0.714 9.57218 C ? B ? . CHA 1
   HETATM 3038 CHB A HEC A 128 ? -22.70640 25.81197 12.39436 0.714 8.76353 C ? B ? . CHB 1
   HETATM 3039 CHC A HEC A 128 ? -19.57600 24.97194 8.80410 0.714 5.95605 C ? B ? . CHC 1
   HETATM 3040 CHD A HEC A 128 ? -23.22409 25.36572 5.67537 0.714 7.43590 C ? B ? . CHD 1
   HETATM 3041 CMA A HEC A 128 ? -25.25244 25.73904 14.16676 0.714 10.90403 C ? B ? . CMA 1
   HETATM 3042 CMB A HEC A 128 ? -19.84199 25.89306 13.75413 0.714 8.84745 C ? B ? . CMB 1
   HETATM 3043 CMC A HEC A 128 ? -18.23250 24.64864 6.07099 0.714 7.07421 C ? B ? . CMC 1
   HETATM 3044 CMD A HEC A 128 ? -25.95779 25.65917 4.24787 0.714 10.27105 C ? B ? . CMD 1
   HETATM 3045 NA A HEC A 128 ? -24.25888 25.80546 10.50958 0.714 8.25334 N ? B ? . NA 1
   HETATM 3046 NC A HEC A 128 ? -21.65582 25.16855 7.54399 0.714 6.29193 N ? B ? . NC 1
   HETATM 3047 O1A A HEC A 128 ? -30.43940 25.47738 12.24786 0.714 35.97658 O ? B ? . O1A 1
   HETATM 3048 O1D A HEC A 128 ? -30.89961 26.31330 6.76100 0.714 18.86079 O ? B ? . O1D 1
   HETATM 3049 O2A A HEC A 128 ? -30.14330 23.31883 12.60544 0.714 21.83495 O ? B ? . O2A 1
   HETATM 3050 O2D A HEC A 128 ? -30.74637 25.01307 8.65075 0.714 14.15085 O ? B ? . O2D 1
   HETATM 3051 FE A HEC A 128 ? -22.90366 25.80259 9.00380 0.714 6.49407 Fe ? B ? . FE 1
   HETATM 3052 NB B HEC A 128 ? -21.38064 26.44708 11.50872 0.286 6.62734 N ? B ? . NB 1
   HETATM 3053 ND B HEC A 128 ? -24.75176 26.67562 9.35703 0.286 5.44627 N ? B ? . ND 1
   HETATM 3054 C1A B HEC A 128 ? -25.41338 27.43865 12.11690 0.286 9.51564 C ? B ? . C1A 1
   HETATM 3055 C1B B HEC A 128 ? -21.15719 27.07039 12.72779 0.286 5.12298 C ? B ? . C1B 1
   HETATM 3056 C1C B HEC A 128 ? -20.84740 25.47539 8.74646 0.286 6.88548 C ? B ? . C1C 1
   HETATM 3057 C1D B HEC A 128 ? -24.87785 26.52854 7.97607 0.286 8.37206 C ? B ? . C1D 1
   HETATM 3058 C2A B HEC A 128 ? -25.65781 28.10091 13.38737 0.286 9.69499 C ? B ? . C2A 1
   HETATM 3059 C2B B HEC A 128 ? -19.76994 26.91588 13.06895 0.286 7.49744 C ? B ? . C2B 1
   HETATM 3060 C2C B HEC A 128 ? -20.57151 25.02982 7.39470 0.286 5.68534 C ? B ? . C2C 1
   HETATM 3061 C2D B HEC A 128 ? -26.26099 26.67625 7.57163 0.286 8.20692 C ? B ? . C2D 1
   HETATM 3062 C3A B HEC A 128 ? -24.52088 28.19891 14.04232 0.286 7.63030 C ? B ? . C3A 1
   HETATM 3063 C3B B HEC A 128 ? -19.17138 26.29240 12.03288 0.286 7.43281 C ? B ? . C3B 1
   HETATM 3064 C3C B HEC A 128 ? -21.61967 25.35134 6.64031 0.286 6.14283 C ? B ? . C3C 1
   HETATM 3065 C3D B HEC A 128 ? -27.06932 26.94812 8.80941 0.286 8.16480 C ? B ? . C3D 1
   HETATM 3066 C4A B HEC A 128 ? -23.50757 27.54068 13.22838 0.286 10.74548 C ? B ? . C4A 1
   HETATM 3067 C4B B HEC A 128 ? -20.16802 26.01433 11.02600 0.286 6.14806 C ? B ? . C4B 1
   HETATM 3068 C4C B HEC A 128 ? -22.59606 25.96228 7.54409 0.286 7.59107 C ? B ? . C4C 1
   HETATM 3069 C4D B HEC A 128 ? -26.05485 26.92140 9.84762 0.286 9.68965 C ? B ? . C4D 1
   HETATM 3070 CAA B HEC A 128 ? -27.01235 28.66045 13.88816 0.286 14.64490 C ? B ? . CAA 1
   HETATM 3071 CAB B HEC A 128 ? -17.69024 25.98536 11.86367 0.286 10.53464 C ? B ? . CAB 1
   HETATM 3072 CAC B HEC A 128 ? -21.79749 25.07520 5.14635 0.286 7.05146 C ? B ? . CAC 1
   HETATM 3073 CAD B HEC A 128 ? -28.60614 27.15305 8.89634 0.286 13.40312 C ? B ? . CAD 1
   HETATM 3074 CBA B HEC A 128 ? -27.87112 27.54083 14.42612 0.286 22.11710 C ? B ? . CBA 1
   HETATM 3075 CBB B HEC A 128 ? -17.18520 24.86728 12.80189 0.286 14.00096 C ? B ? . CBB 1
   HETATM 3076 CBC B HEC A 128 ? -22.21341 26.26759 4.31720 0.286 17.06428 C ? B ? . CBC 1
   HETATM 3077 CBD B HEC A 128 ? -29.05564 28.59640 9.22095 0.286 15.73624 C ? B ? . CBD 1
   HETATM 3078 CGA B HEC A 128 ? -29.29691 27.96418 14.63941 0.286 22.19341 C ? B ? . CGA 1
   HETATM 3079 CGD B HEC A 128 ? -28.03538 29.49026 9.88608 0.286 16.95625 C ? B ? . CGD 1
   HETATM 3080 CHA B HEC A 128 ? -26.34725 27.16947 11.16305 0.286 9.31324 C ? B ? . CHA 1
   HETATM 3081 CHB B HEC A 128 ? -22.15382 27.49707 13.52060 0.286 8.35461 C ? B ? . CHB 1
   HETATM 3082 CHC B HEC A 128 ? -19.99921 25.38734 9.84138 0.286 6.10927 C ? B ? . CHC 1
   HETATM 3083 CHD B HEC A 128 ? -23.86461 26.32732 7.06322 0.286 8.03632 C ? B ? . CHD 1
   HETATM 3084 CMA B HEC A 128 ? -24.34308 28.84654 15.41441 0.286 12.90893 C ? B ? . CMA 1
   HETATM 3085 CMB B HEC A 128 ? -19.12844 27.51963 14.32017 0.286 5.63356 C ? B ? . CMB 1
   HETATM 3086 CMC B HEC A 128 ? -19.25227 24.35683 6.99706 0.286 6.75841 C ? B ? . CMC 1
   HETATM 3087 CMD B HEC A 128 ? -26.80231 26.56103 6.15065 0.286 11.57526 C ? B ? . CMD 1
   HETATM 3088 NA B HEC A 128 ? -24.05799 27.17137 11.99927 0.286 7.46801 N ? B ? . NA 1
   HETATM 3089 NC B HEC A 128 ? -22.05509 26.12183 8.80542 0.286 11.15424 N ? B ? . NC 1
   HETATM 3090 O1A B HEC A 128 ? -29.67350 29.14859 14.38202 0.286 28.33095 O ? B ? . O1A 1
   HETATM 3091 O1D B HEC A 128 ? -27.00864 29.77359 9.23897 0.286 28.51713 O ? B ? . O1D 1
   HETATM 3092 O2A B HEC A 128 ? -30.04317 27.05817 15.07609 0.286 21.81086 O ? B ? . O2A 1
   HETATM 3093 O2D B HEC A 128 ? -28.21429 29.99991 11.02912 0.286 21.19458 O ? B ? . O2D 1
   HETATM 3094 FE B HEC A 128 ? -23.11012 26.42120 10.46377 0.286 7.06273 Fe ? B ? . FE 1
   HETATM 3095 O1 A SO4 A 129 ? -0.84023 29.75550 9.81314 0.698 12.93041 O ? C ? . O1 1
   HETATM 3096 O2 A SO4 A 129 ? -3.05054 29.70738 8.89273 0.698 8.96927 O ? C ? . O2 1
   HETATM 3097 O3 A SO4 A 129 ? -2.66665 28.78934 11.00480 0.698 9.91174 O ? C ? . O3 1
   HETATM 3098 O4 A SO4 A 129 ? -2.63052 31.10357 10.73099 0.698 10.56713 O ? C ? . O4 1
   HETATM 3099 S A SO4 A 129 ? -2.25387 29.86482 10.07846 0.698 6.50354 S ? C ? . S 1
   HETATM 3100 O1 B SO4 A 129 ? -1.30899 28.75644 9.08502 0.302 16.07621 O ? C ? . O1 1
   HETATM 3101 O2 B SO4 A 129 ? -3.36775 29.90077 9.87380 0.302 15.38950 O ? C ? . O2 1
   HETATM 3102 O3 B SO4 A 129 ? -1.61340 29.32531 11.43178 0.302 4.26050 O ? C ? . O3 1
   HETATM 3103 O4 B SO4 A 129 ? -1.36658 31.13082 9.87078 0.302 7.00126 O ? C ? . O4 1
   HETATM 3104 S B SO4 A 129 ? -1.88566 29.67174 10.08649 0.302 6.43660 S ? C ? . S 1
   HETATM 3105 N A NO A 155 ? -22.51197 27.42951 9.13427 0.280 8.82475 N ? D ? . N 1
   HETATM 3106 O A NO A 155 ? -21.50316 28.32222 9.67158 0.280 10.76308 O ? D ? . O 1
   HETATM 3107 N B NO A 155 ? -23.30463 24.83229 11.05495 0.333 8.92754 N ? D ? . N 1
   HETATM 3108 O B NO A 155 ? -22.48084 23.76589 11.32712 0.333 8.85287 O ? D ? . O 1
   HETATM 3109 N C NO A 155 ? -22.77627 27.55753 8.67327 0.387 9.12303 N ? D ? . N 1
   HETATM 3110 O C NO A 155 ? -22.95246 28.27122 7.47875 0.387 14.69613 O ? D ? . O 1
   HETATM 3111 N . NO3 A 156 ? -31.81857 23.34262 5.53269 1.000 9.89082 N ? E ? . N 1
   HETATM 3112 O1 . NO3 A 156 ? -31.10175 22.44654 6.00344 1.000 10.67042 O ? E ? . O1 1
   HETATM 3113 O2 . NO3 A 156 ? -32.66409 23.91409 6.26878 1.000 12.66646 O ? E ? . O2 1
   HETATM 3114 O3 . NO3 A 156 ? -31.86615 23.53130 4.31815 1.000 10.63863 O ? E ? . O3 1
   HETATM 3115 O1 . SO4 A 157 ? 4.45190 22.89428 10.19509 0.519 11.08158 O ? F ? . O1 1
   HETATM 3116 O2 . SO4 A 157 ? 1.97001 23.09173 9.97427 0.519 11.16655 O ? F ? . O2 1
   HETATM 3117 O3 . SO4 A 157 ? 3.08361 22.31832 11.99963 0.519 32.17419 O ? F ? . O3 1
   HETATM 3118 O4 . SO4 A 157 ? 3.26255 24.70834 11.31334 0.519 32.59201 O ? F ? . O4 1
   HETATM 3119 S . SO4 A 157 ? 3.18001 23.29365 10.86431 0.519 16.51583 S ? F ? . S 1
   HETATM 3120 O . HOH A 2001 ? -31.56953 7.58622 7.50819 0.823 9.47699 O ? G ? . O 1
   HETATM 3121 O . HOH A 2002 ? -27.14228 10.34751 -1.31258 0.624 11.32038 O ? G ? . O 1
   HETATM 3122 O . HOH A 2003 ? -34.80389 5.57103 5.63215 0.756 12.17758 O ? G ? . O 1
   HETATM 3123 O . HOH A 2004 ? -26.48438 10.72899 2.21876 0.712 9.24777 O ? G ? . O 1
   HETATM 3124 O . HOH A 2005 ? -33.68113 9.17232 8.12356 0.653 10.59535 O ? G ? . O 1
   HETATM 3127 O . HOH A 2008 ? -37.78221 7.80449 7.45165 0.927 25.52394 O ? G ? . O 1
   HETATM 3128 O . HOH A 2009 ? -36.65457 4.21920 1.56912 0.704 16.72759 O ? G ? . O 1
   HETATM 3130 O . HOH A 2011 ? -40.47433 12.07195 -2.40540 0.732 15.01034 O ? G ? . O 1
   HETATM 3132 O . HOH A 2013 ? -35.14948 11.00158 -0.36412 0.590 11.77259 O ? G ? . O 1
   HETATM 3133 O . HOH A 2015 ? -35.35157 8.22375 6.14687 0.780 10.12067 O ? G ? . O 1
   HETATM 3134 O . HOH A 2016 ? -38.50892 5.94634 0.16872 0.871 20.71622 O ? G ? . O 1
   HETATM 3135 O . HOH A 2017 ? -39.12674 9.67316 -1.77606 0.520 13.61281 O ? G ? . O 1
   HETATM 3136 O . HOH A 2019 ? -41.50592 8.01743 4.24895 0.634 25.37425 O ? G ? . O 1
   HETATM 3137 O . HOH A 2020 ? -41.35820 13.18574 5.48675 0.893 29.09665 O ? G ? . O 1
   HETATM 3140 O . HOH A 2026 ? -37.87165 21.68948 6.87919 0.795 21.05523 O ? G ? . O 1
   HETATM 3142 O . HOH A 2028 ? -39.96318 15.18967 1.53504 0.725 9.94849 O ? G ? . O 1
   HETATM 3143 O . HOH A 2029 ? -7.94287 10.17348 30.97795 0.563 16.09627 O ? G ? . O 1
   HETATM 3144 O . HOH A 2030 ? -4.14015 10.78932 27.44248 0.947 22.05498 O ? G ? . O 1
   HETATM 3145 O . HOH A 2032 ? -1.16201 14.42376 31.72545 0.954 40.77086 O ? G ? . O 1
   HETATM 3146 O . HOH A 2033 ? -13.30665 10.57122 25.62691 0.758 16.47745 O ? G ? . O 1
   HETATM 3147 O . HOH A 2034 ? -36.93107 10.92049 9.86291 0.767 27.77090 O ? G ? . O 1
   HETATM 3148 O . HOH A 2035 ? -40.07400 10.10373 5.43896 0.905 21.94730 O ? G ? . O 1
   HETATM 3149 O . HOH A 2036 ? -33.21191 11.79044 8.86847 0.799 11.31319 O ? G ? . O 1
   HETATM 3151 O . HOH A 2039 ? -35.33247 16.40995 13.53883 0.637 14.64627 O ? G ? . O 1
   HETATM 3152 O . HOH A 2040 ? -23.74832 25.30287 19.86707 0.850 19.62644 O ? G ? . O 1
   HETATM 3153 O . HOH A 2041 ? -27.89981 24.15818 19.45855 0.498 11.63552 O ? G ? . O 1
   HETATM 3156 O . HOH A 2044 ? -18.49549 29.09542 17.71824 0.673 20.86079 O ? G ? . O 1
   HETATM 3157 O . HOH A 2046 ? -17.66511 30.95011 24.85206 0.864 30.63381 O ? G ? . O 1
   HETATM 3158 O . HOH A 2047 ? -20.60936 28.14090 21.40128 0.773 20.27187 O ? G ? . O 1
   HETATM 3161 O . HOH A 2054 ? -33.17353 17.74415 12.87367 0.435 6.92987 O ? G ? . O 1
   HETATM 3162 O . HOH A 2055 ? -14.98159 25.50904 28.45932 0.815 6.38949 O ? G ? . O 1
   HETATM 3163 O . HOH A 2056 ? -13.53314 23.11556 28.60211 0.822 5.09930 O ? G ? . O 1
   HETATM 3165 O . HOH A 2060 ? -16.42871 34.06474 20.43245 0.978 38.24765 O ? G ? . O 1
   HETATM 3166 O . HOH A 2061 ? -11.60056 32.83447 19.68522 1.000 34.00314 O ? G ? . O 1
   HETATM 3168 O . HOH A 2064 ? -8.31348 36.16904 22.73397 0.745 17.63439 O ? G ? . O 1
   HETATM 3173 O . HOH A 2069 ? -15.85717 27.20137 30.56860 0.390 4.62110 O ? G ? . O 1
   HETATM 3175 O . HOH A 2072 ? -0.67381 22.42587 31.55986 0.442 18.74917 O ? G ? . O 1
   HETATM 3176 O . HOH A 2076 ? -7.38955 12.79455 30.48374 0.353 16.46781 O ? G ? . O 1
   HETATM 3177 O . HOH A 2077 ? -5.17052 14.86770 33.03230 0.665 16.48879 O ? G ? . O 1
   HETATM 3178 O . HOH A 2080 ? -4.65274 11.91233 24.94369 0.700 11.04083 O ? G ? . O 1
   HETATM 3179 O . HOH A 2081 ? -0.89855 12.59097 23.61235 0.785 22.62584 O ? G ? . O 1
   HETATM 3180 O . HOH A 2082 ? -1.85310 14.91375 26.99994 0.740 12.29135 O ? G ? . O 1
   HETATM 3181 O . HOH A 2083 ? -3.97409 14.27307 30.72840 0.759 18.02272 O ? G ? . O 1
   HETATM 3182 O . HOH A 2084 ? -8.75403 10.47196 26.15131 0.909 17.49442 O ? G ? . O 1
   HETATM 3183 O . HOH A 2085 ? -12.60077 12.92093 27.12275 0.782 15.27578 O ? G ? . O 1
   HETATM 3185 O . HOH A 2087 ? -6.17042 8.87354 21.89785 0.998 33.19316 O ? G ? . O 1
   HETATM 3186 O . HOH A 2088 ? -13.74244 9.60057 19.09470 0.758 13.38901 O ? G ? . O 1
   HETATM 3187 O . HOH A 2089 ? -14.71998 11.44120 23.35802 0.737 9.55417 O ? G ? . O 1
   HETATM 3188 O . HOH A 2090 ? -22.41546 15.90881 12.57454 0.299 7.05434 O ? G ? . O 1
   HETATM 3189 O . HOH A 2091 ? -18.10022 13.99845 23.40615 0.695 13.57444 O ? G ? . O 1
   HETATM 3190 O . HOH A 2092 ? -13.20800 7.70205 15.02411 0.230 17.07594 O ? G ? . O 1
   HETATM 3191 O . HOH A 2093 ? -9.29608 10.10424 15.08442 0.691 24.23970 O ? G ? . O 1
   HETATM 3192 O . HOH A 2094 ? -10.95068 9.35729 24.85864 0.694 17.51709 O ? G ? . O 1
   HETATM 3193 O . HOH A 2096 ? -25.20053 23.90008 18.22850 0.943 17.62378 O ? G ? . O 1
   HETATM 3194 O . HOH A 2097 ? -31.16441 21.21005 14.59065 0.588 17.97646 O ? G ? . O 1
   HETATM 3195 O . HOH A 2098 ? -36.20151 14.02841 12.55590 0.623 17.79408 O ? G ? . O 1
   HETATM 3197 O . HOH A 2100 ? -8.96048 12.99850 7.25079 0.789 23.36284 O ? G ? . O 1
   HETATM 3199 O . HOH A 2102 ? -6.50983 14.20796 10.50800 0.763 10.86860 O ? G ? . O 1
   HETATM 3201 O . HOH A 2104 ? -10.62094 14.80075 8.78303 0.768 10.33240 O ? G ? . O 1
   HETATM 3203 O . HOH A 2106 ? -18.45727 9.51163 7.39562 0.761 8.57562 O ? G ? . O 1
   HETATM 3205 O . HOH A 2108 ? -19.65513 13.10202 1.62673 0.577 23.49733 O ? G ? . O 1
   HETATM 3206 O . HOH A 2109 ? -20.22964 11.20793 3.47101 0.657 20.39544 O ? G ? . O 1
   HETATM 3207 O . HOH A 2110 ? -22.07489 9.98686 4.94767 0.758 11.36546 O ? G ? . O 1
   HETATM 3210 O . HOH A 2114 ? -20.23066 27.05270 17.27548 0.706 17.63508 O ? G ? . O 1
   HETATM 3211 O . HOH A 2115 ? -23.53243 17.35229 -6.80832 0.915 15.12044 O ? G ? . O 1
   HETATM 3212 O . HOH A 2116 ? -32.90757 32.90308 -7.99926 0.909 20.29903 O ? G ? . O 1
   HETATM 3213 O . HOH A 2117 ? -18.53667 28.48303 24.27936 0.753 14.30637 O ? G ? . O 1
   HETATM 3215 O . HOH A 2119 ? -18.84170 16.22878 27.08933 0.922 13.58019 O ? G ? . O 1
   HETATM 3216 O . HOH A 2120 ? -17.39073 24.84328 27.08256 0.861 6.16287 O ? G ? . O 1
   HETATM 3217 O . HOH A 2121 ? -14.01654 22.50450 25.87084 0.853 8.56184 O ? G ? . O 1
   HETATM 3219 O . HOH A 2123 ? -21.92064 17.16013 25.44005 0.856 8.87021 O ? G ? . O 1
   HETATM 3220 O . HOH A 2124 ? -16.29277 17.96807 25.30764 0.813 11.30282 O ? G ? . O 1
   HETATM 3221 O . HOH A 2125 ? -23.63250 18.20738 -4.20171 0.514 13.60122 O ? G ? . O 1
   HETATM 3223 O . HOH A 2127 ? -19.84757 19.43648 -7.79402 0.815 20.43298 O ? G ? . O 1
   HETATM 3224 O . HOH A 2128 ? -20.05822 16.56254 -4.08231 0.643 16.62706 O ? G ? . O 1
   HETATM 3225 O . HOH A 2129 ? -17.29324 19.76860 -7.99214 0.585 23.65021 O ? G ? . O 1
   HETATM 3226 O . HOH A 2131 ? 1.60680 19.14035 14.35499 0.722 17.80819 O ? G ? . O 1
   HETATM 3227 O . HOH A 2132 ? -18.35385 29.73497 20.50652 0.780 14.87489 O ? G ? . O 1
   HETATM 3229 O . HOH A 2134 ? -14.07484 28.99905 2.16275 0.729 10.23827 O ? G ? . O 1
   HETATM 3230 O . HOH A 2135 ? -13.34020 28.15563 -0.33607 0.650 12.29747 O ? G ? . O 1
   HETATM 3231 O . HOH A 2136 ? -15.41683 31.24547 -3.40123 0.722 15.82751 O ? G ? . O 1
   HETATM 3232 O . HOH A 2137 ? -14.62920 31.50333 0.94632 0.714 10.64709 O ? G ? . O 1
   HETATM 3233 O . HOH A 2138 ? -16.60775 34.87297 2.90078 0.673 15.62454 O ? G ? . O 1
   HETATM 3235 O . HOH A 2140 ? -17.91798 10.83938 5.04688 0.879 19.94589 O ? G ? . O 1
   HETATM 3236 O . HOH A 2141 ? -8.63810 33.63940 21.54469 0.796 18.43298 O ? G ? . O 1
   HETATM 3237 O . HOH A 2143 ? -9.30696 35.89895 27.49104 0.760 17.79462 O ? G ? . O 1
   HETATM 3243 O . HOH A 2150 ? -12.70517 32.41047 33.39986 0.785 10.25602 O ? G ? . O 1
   HETATM 3245 O . HOH A 2152 ? -14.10933 30.01574 34.15493 0.483 8.56222 O ? G ? . O 1
   HETATM 3246 O . HOH A 2153 ? -15.63384 32.42221 25.99162 0.873 30.43988 O ? G ? . O 1
   HETATM 3247 O . HOH A 2154 ? -14.82540 29.72652 31.16675 0.747 11.75406 O ? G ? . O 1
   HETATM 3248 O . HOH A 2155 ? -15.70713 31.83989 29.57073 0.535 21.05325 O ? G ? . O 1
   HETATM 3249 O . HOH A 2156 ? 0.26632 16.36878 25.97687 0.792 24.98896 O ? G ? . O 1
   HETATM 3250 O . HOH A 2159 ? -6.77517 27.58874 27.94927 0.908 6.13493 O ? G ? . O 1
   HETATM 3251 O . HOH A 2160 ? -11.34115 23.22119 30.34892 0.843 5.75197 O ? G ? . O 1
   HETATM 3253 O . HOH A 2162 ? 1.85857 26.35211 25.77820 0.870 20.00165 O ? G ? . O 1
   HETATM 3254 O . HOH A 2163 ? -4.91627 21.88233 32.46934 0.847 10.31030 O ? G ? . O 1
   HETATM 3255 O . HOH A 2164 ? -2.52248 23.96048 30.65447 0.487 12.64564 O ? G ? . O 1
   HETATM 3256 O . HOH A 2165 ? -4.42729 25.77703 31.38228 0.800 9.81821 O ? G ? . O 1
   HETATM 3257 O . HOH A 2166 ? -4.94696 19.02403 22.51940 0.769 5.57760 O ? G ? . O 1
   HETATM 3258 O . HOH A 2167 ? -7.57064 14.95399 31.84429 0.911 16.74634 O ? G ? . O 1
   HETATM 3260 O . HOH A 2169 ? -10.67788 32.15938 17.19076 0.862 16.49170 O ? G ? . O 1
   HETATM 3261 O . HOH A 2170 ? -2.75324 18.93705 29.50533 0.522 11.42416 O ? G ? . O 1
   HETATM 3263 O . HOH A 2172 ? -14.03603 34.07967 11.68583 0.726 16.71360 O ? G ? . O 1
   HETATM 3264 O . HOH A 2173 ? -9.21526 34.08023 12.60556 0.697 30.12832 O ? G ? . O 1
   HETATM 3265 O . HOH A 2174 ? -3.08861 14.16348 24.66404 0.817 10.95645 O ? G ? . O 1
   HETATM 3266 O . HOH A 2175 ? -3.46077 16.24094 28.87834 0.781 9.99512 O ? G ? . O 1
   HETATM 3267 O . HOH A 2176 ? -7.34933 12.18593 24.53086 0.808 10.14475 O ? G ? . O 1
   HETATM 3268 O . HOH A 2177 ? -14.63152 17.02374 27.60548 0.764 9.63040 O ? G ? . O 1
   HETATM 3269 O . HOH A 2178 ? -9.11948 21.94090 27.80752 0.840 5.95372 O ? G ? . O 1
   HETATM 3270 O . HOH A 2179 ? -13.02488 15.42853 25.84707 0.856 10.39235 O ? G ? . O 1
   HETATM 3271 O . HOH A 2180 ? -12.68250 33.53952 5.09676 0.804 16.92093 O ? G ? . O 1
   HETATM 3272 O . HOH A 2181 ? -11.17110 31.29078 5.33760 0.616 10.49131 O ? G ? . O 1
   HETATM 3273 O . HOH A 2182 ? -13.71187 35.37687 9.27000 0.787 17.58326 O ? G ? . O 1
   HETATM 3274 O . HOH A 2184 ? -7.77691 15.29440 17.81527 0.815 7.67187 O ? G ? . O 1
   HETATM 3275 O . HOH A 2185 ? -3.87787 9.98565 23.12056 0.971 18.78637 O ? G ? . O 1
   HETATM 3277 O . HOH A 2187 ? -12.96009 11.06790 21.19575 0.890 9.82700 O ? G ? . O 1
   HETATM 3278 O . HOH A 2188 ? -14.65249 14.26041 23.85905 0.687 14.52370 O ? G ? . O 1
   HETATM 3279 O . HOH A 2189 ? -14.15554 20.07135 24.49459 0.756 10.83356 O ? G ? . O 1
   HETATM 3280 O . HOH A 2190 ? -16.22647 15.80816 23.59104 0.801 13.24413 O ? G ? . O 1
   HETATM 3281 O . HOH A 2191 ? -8.12996 10.99091 22.15529 0.893 17.06528 O ? G ? . O 1
   HETATM 3282 O . HOH A 2192 ? -10.68219 9.70815 22.23851 0.940 20.65987 O ? G ? . O 1
   HETATM 3284 O . HOH A 2194 ? -12.04444 10.54117 14.94145 0.539 14.62951 O ? G ? . O 1
   HETATM 3285 O . HOH A 2195 ? -6.21791 11.74387 16.96239 0.594 21.68073 O ? G ? . O 1
   HETATM 3288 O . HOH A 2198 ? -6.53998 12.10967 12.23600 0.616 12.61939 O ? G ? . O 1
   HETATM 3289 O . HOH A 2199 ? -13.25489 13.69613 8.89255 0.727 13.99032 O ? G ? . O 1
   HETATM 3290 O . HOH A 2200 ? -8.38275 9.95237 8.67500 1.000 36.43217 O ? G ? . O 1
   HETATM 3291 O . HOH A 2201 ? -13.03672 10.33684 12.17242 0.682 19.75424 O ? G ? . O 1
   HETATM 3292 O . HOH A 2202 ? -17.44379 10.68759 9.71277 0.848 8.79399 O ? G ? . O 1
   HETATM 3293 O . HOH A 2203 ? -15.96458 7.99924 13.79826 0.744 15.41807 O ? G ? . O 1
   HETATM 3294 O . HOH A 2204 ? -21.02735 13.79527 3.90692 0.946 15.57460 O ? G ? . O 1
   HETATM 3295 O . HOH A 2205 ? -17.41799 14.23795 4.05043 0.731 19.32718 O ? G ? . O 1
   HETATM 3296 O . HOH A 2206 ? -23.65064 11.84568 6.09517 0.804 7.73355 O ? G ? . O 1
   HETATM 3297 O . HOH A 2207 ? -22.80197 17.08141 -1.40220 0.818 17.11802 O ? G ? . O 1
   HETATM 3300 O . HOH A 2210 ? -28.22995 12.55429 0.99644 0.674 9.86298 O ? G ? . O 1
   HETATM 3301 O . HOH A 2211 ? -25.17372 12.91021 -1.61454 0.902 15.00763 O ? G ? . O 1
   HETATM 3304 O . HOH A 2215 ? -31.67245 12.45499 -3.30766 0.700 16.93679 O ? G ? . O 1
   HETATM 3305 O . HOH A 2216 ? -25.69309 18.57675 -5.25865 0.615 11.50284 O ? G ? . O 1
   HETATM 3306 O . HOH A 2217 ? -27.61525 13.09386 -2.32945 0.464 7.35326 O ? G ? . O 1
   HETATM 3307 O . HOH A 2218 ? -35.13367 13.60232 -4.29858 0.690 12.10009 O ? G ? . O 1
   HETATM 3310 O . HOH A 2221 ? -35.90857 17.63344 -3.27567 0.913 13.32514 O ? G ? . O 1
   HETATM 3312 O . HOH A 2223 ? -34.77723 17.23666 -5.63341 0.337 7.10886 O ? G ? . O 1
   HETATM 3313 O . HOH A 2224 ? -29.75053 18.14894 -7.19320 0.829 6.74599 O ? G ? . O 1
   HETATM 3316 O . HOH A 2227 ? -8.01208 19.38395 -0.52906 0.574 6.64513 O ? G ? . O 1
   HETATM 3318 O . HOH A 2230 ? -31.08907 24.92118 -6.76968 0.656 8.37412 O ? G ? . O 1
   HETATM 3321 O . HOH A 2234 ? -24.73467 20.55716 -3.31669 0.697 10.43857 O ? G ? . O 1
   HETATM 3322 O . HOH A 2236 ? -24.06188 26.64996 -11.79364 0.849 19.22510 O ? G ? . O 1
   HETATM 3323 O . HOH A 2237 ? -28.68376 29.97838 -9.14983 0.761 14.11006 O ? G ? . O 1
   HETATM 3324 O . HOH A 2239 ? -26.38688 29.87775 -10.62542 0.795 26.50746 O ? G ? . O 1
   HETATM 3326 O . HOH A 2241 ? -21.95437 20.28454 -3.61472 0.632 9.40397 O ? G ? . O 1
   HETATM 3327 O . HOH A 2242 ? -16.04648 21.80306 -6.90716 0.919 20.57969 O ? G ? . O 1
   HETATM 3331 O . HOH A 2249 ? -11.78740 24.62467 -2.09885 0.914 13.50994 O ? G ? . O 1
   HETATM 3332 O . HOH A 2250 ? -14.41504 23.38480 -8.42266 0.935 24.25206 O ? G ? . O 1
   HETATM 3336 O . HOH A 2255 ? -15.74178 27.38238 3.68068 0.729 7.83647 O ? G ? . O 1
   HETATM 3340 O . HOH A 2259 ? -20.76063 18.54169 -1.72949 0.753 13.66261 O ? G ? . O 1
   HETATM 3341 O . HOH A 2261 ? -18.69274 15.68381 -1.83225 0.963 28.85096 O ? G ? . O 1
   HETATM 3344 O . HOH A 2264 ? -15.28310 12.86607 4.23357 0.689 25.22626 O ? G ? . O 1
   HETATM 3345 O . HOH A 2265 ? -11.56634 16.71637 7.19644 0.708 9.75076 O ? G ? . O 1
   HETATM 3347 O . HOH A 2267 ? -14.62127 18.39393 0.67578 0.658 16.76875 O ? G ? . O 1
   HETATM 3348 O . HOH A 2269 ? -14.30465 16.40894 7.83608 0.871 15.85443 O ? G ? . O 1
   HETATM 3352 O . HOH A 2274 ? -4.29535 15.88216 11.00467 0.849 8.74442 O ? G ? . O 1
   HETATM 3353 O . HOH A 2275 ? -1.95099 22.51670 13.38372 0.381 7.42989 O ? G ? . O 1
   HETATM 3354 O . HOH A 2276 ? -8.85420 15.56944 10.70764 0.740 8.27861 O ? G ? . O 1
   HETATM 3355 O . HOH A 2277 ? -8.88559 14.49816 15.34120 0.800 7.25832 O ? G ? . O 1
   HETATM 3356 O . HOH A 2278 ? 0.33824 16.73288 15.26624 0.882 12.61090 O ? G ? . O 1
   HETATM 3357 O . HOH A 2281 ? -2.48795 16.09360 22.76566 0.769 8.69934 O ? G ? . O 1
   HETATM 3358 O . HOH A 2282 ? -0.39263 15.15472 13.21908 0.814 17.21612 O ? G ? . O 1
   HETATM 3359 O . HOH A 2283 ? 1.49665 15.00610 17.17606 0.748 18.72206 O ? G ? . O 1
   HETATM 3360 O . HOH A 2284 ? -1.07431 13.03280 20.93233 0.704 14.39730 O ? G ? . O 1
   HETATM 3361 O . HOH A 2287 ? -3.05627 14.69468 13.14374 0.749 13.07522 O ? G ? . O 1
   HETATM 3362 O . HOH A 2288 ? 1.86202 14.71442 21.16927 0.880 26.53679 O ? G ? . O 1
   HETATM 3363 O . HOH A 2289 ? 0.22863 15.83956 23.15745 0.739 15.34737 O ? G ? . O 1
   HETATM 3366 O . HOH A 2293 ? 3.88201 17.77957 20.36668 0.814 23.37389 O ? G ? . O 1
   HETATM 3367 O . HOH A 2294 ? 0.60558 19.05782 25.96863 0.907 19.86985 O ? G ? . O 1
   HETATM 3369 O . HOH A 2297 ? 0.38083 24.35553 25.33319 0.956 19.51785 O ? G ? . O 1
   HETATM 3372 O . HOH A 2301 ? -1.49814 30.91724 17.55315 0.857 6.77187 O ? G ? . O 1
   HETATM 3373 O . HOH A 2302 ? 1.61845 26.82068 23.24290 0.799 10.86115 O ? G ? . O 1
   HETATM 3376 O . HOH A 2306 ? -2.06687 25.20873 13.93283 0.810 8.73201 O ? G ? . O 1
   HETATM 3381 O . HOH A 2311 ? -6.35151 34.87356 24.95366 0.843 14.58131 O ? G ? . O 1
   HETATM 3382 O . HOH A 2312 ? -6.78702 33.07321 19.72094 0.695 10.81379 O ? G ? . O 1
   HETATM 3383 O . HOH A 2313 ? -5.52739 36.64054 22.04517 0.729 10.56904 O ? G ? . O 1
   HETATM 3384 O . HOH A 2314 ? -7.91824 31.86918 17.41418 0.686 9.39342 O ? G ? . O 1
   HETATM 3386 O . HOH A 2316 ? -3.68474 32.32491 16.57887 0.786 6.91852 O ? G ? . O 1
   HETATM 3387 O . HOH A 2317 ? -12.74846 30.96497 15.18103 0.700 18.48876 O ? G ? . O 1
   HETATM 3388 O . HOH A 2318 ? -11.66890 32.96465 12.82290 0.732 15.66872 O ? G ? . O 1
   HETATM 3389 O . HOH A 2319 ? -7.32585 32.82596 11.12108 0.699 11.69375 O ? G ? . O 1
   HETATM 3390 O . HOH A 2320 ? -9.68159 30.22203 7.44441 0.431 5.57924 O ? G ? . O 1
   HETATM 3391 O . HOH A 2321 ? -5.06692 31.38032 12.24038 0.560 6.45277 O ? G ? . O 1
   HETATM 3393 O . HOH A 2324 ? -14.62906 33.96772 6.84664 0.759 10.15161 O ? G ? . O 1
   HETATM 3394 O . HOH A 2325 ? -12.04590 28.74582 4.03315 0.788 12.50341 O ? G ? . O 1
   HETATM 3397 O . HOH A 2328 ? -14.41310 37.98568 8.62558 0.765 36.63488 O ? G ? . O 1
   HETATM 3398 O . HOH A 2329 ? -18.85572 33.56398 1.87366 1.000 18.41012 O ? G ? . O 1
   HETATM 3399 O . HOH A 2331 ? -19.29101 31.23866 11.97464 0.891 31.40974 O ? G ? . O 1
   HETATM 3401 O . HOH A 2334 ? -16.69227 35.24736 5.62476 0.530 12.26384 O ? G ? . O 1
   HETATM 3402 O . HOH A 2335 ? -20.84962 35.39649 1.23189 0.870 35.21372 O ? G ? . O 1
   HETATM 3404 O . HOH A 2337 ? -22.60268 29.80792 -5.25557 0.876 21.00107 O ? G ? . O 1
   HETATM 3405 O . HOH A 2338 ? -22.83902 27.29720 -4.10985 0.650 11.06880 O ? G ? . O 1
   HETATM 3407 O . HOH A 2343 ? -33.80827 24.66248 11.84564 0.528 24.90737 O ? G ? . O 1
   HETATM 3408 O . HOH A 2344 ? -28.69568 24.71627 15.64579 0.734 16.29667 O ? G ? . O 1
   HETATM 3409 O . HOH A 2345 ? -33.12075 25.97721 9.33369 0.664 17.91398 O ? G ? . O 1
   HETATM 3410 O . HOH A 2346 ? -32.57644 22.96332 13.55215 0.704 24.51519 O ? G ? . O 1
   HETATM 3411 O . HOH A 2347 ? -30.74828 28.84935 6.44875 1.000 29.48606 O ? G ? . O 1
   HETATM 3413 O . HOH A 2350 ? 0.59153 29.74528 13.86568 0.709 15.59712 O ? G ? . O 1
   HETATM 3414 O . HOH A 2351 ? -0.62397 27.38936 12.43390 0.748 13.67127 O ? G ? . O 1
   HETATM 3415 O . HOH A 2352 ? -0.86195 26.47213 7.02567 0.806 17.67347 O ? G ? . O 1
   HETATM 3416 O . HOH A 2353 ? 0.70350 27.90765 8.38309 0.789 14.40052 O ? G ? . O 1
   HETATM 3417 O . HOH A 2354 ? 1.27859 26.31175 10.66006 0.670 16.37716 O ? G ? . O 1
   HETATM 3418 O . HOH A 2355 ? -0.32659 22.38761 11.32519 0.537 9.97769 O ? G ? . O 1
   HETATM 3419 O . HOH A 2356 ? 5.38995 25.76156 10.03625 0.904 24.90532 O ? G ? . O 1
   HETATM 5690 O . HOH S 2357 ? -30.65774 11.50629 -0.18999 0.962 14.58627 O ? H ? . O 1
   HETATM 5691 O . HOH S 2358 ? -10.43100 27.40519 -0.86212 0.772 16.50693 O ? H ? . O 1
   HETATM 5692 O . HOH S 2359 ? -20.60903 25.87637 22.88503 0.788 16.98955 O ? H ? . O 1
   HETATM 5693 O . HOH S 2360 ? -33.12136 12.81104 -0.67829 0.982 19.13600 O ? H ? . O 1
   HETATM 5694 O . HOH S 2361 ? -21.15741 18.57892 -5.52923 0.735 18.20004 O ? H ? . O 1
   HETATM 5695 O . HOH S 2362 ? 3.02190 30.78600 13.84145 0.615 15.46297 O ? H ? . O 1
   HETATM 5696 O . HOH S 2363 ? -11.91055 23.29251 -4.51929 0.705 19.78445 O ? H ? . O 1
   HETATM 5697 O . HOH S 2364 ? 0.99790 26.98234 28.12555 0.824 28.99695 O ? H ? . O 1
   HETATM 5699 O . HOH S 2366 ? 3.72684 25.05738 22.48442 0.713 20.22266 O ? H ? . O 1
   HETATM 5701 O . HOH S 2368 ? -16.15517 28.72489 -3.10787 0.742 25.37412 O ? H ? . O 1
   HETATM 5702 O . HOH S 2369 ? -6.46023 32.67289 15.28411 0.567 18.41014 O ? H ? . O 1
   HETATM 5705 O . HOH S 2372 ? -15.02684 31.36817 19.07309 0.502 17.87251 O ? H ? . O 1
   HETATM 5706 O . HOH S 2373 ? 0.20367 21.26627 14.72505 0.574 17.47655 O ? H ? . O 1
   HETATM 5707 O . HOH S 2374 ? -22.25250 27.82073 16.21484 0.397 23.17738 O ? H ? . O 1
   HETATM 5708 O . HOH S 2375 ? -15.04050 9.82682 10.22086 0.694 22.52908 O ? H ? . O 1
   HETATM 5709 O . HOH S 2376 ? -39.20725 13.83557 7.30165 0.940 30.09925 O ? H ? . O 1
   HETATM 5711 O . HOH S 2378 ? -32.01928 19.06053 14.14774 0.630 24.28743 O ? H ? . O 1
   HETATM 5712 O . HOH S 2379 ? -13.52831 13.02117 6.06399 0.632 21.78999 O ? H ? . O 1
   HETATM 5718 O . HOH S 2385 ? 0.40903 26.48524 14.37631 0.696 20.89075 O ? H ? . O 1
   HETATM 5719 O . HOH S 2386 ? -33.69787 20.47467 12.98050 0.524 20.45868 O ? H ? . O 1
   HETATM 5720 O . HOH S 2387 ? -20.05700 15.21770 0.25632 0.427 17.77655 O ? H ? . O 1
   HETATM 5722 O . HOH S 2389 ? -5.48973 30.81324 25.67813 0.233 7.83950 O ? H ? . O 1
   HETATM 5723 O . HOH S 2390 ? 2.32802 22.05736 25.23671 0.463 24.71276 O ? H ? . O 1
   HETATM 5725 O . HOH S 2392 ? -3.41801 20.54068 34.06536 0.257 11.41328 O ? H ? . O 1
   HETATM 5726 O . HOH S 2393 ? -26.95376 25.24257 17.73158 0.492 18.44732 O ? H ? . O 1
   HETATM 5727 O . HOH S 2394 ? -14.04253 33.43971 19.28136 0.647 26.93785 O ? H ? . O 1
   HETATM 5728 O . HOH S 2395 ? -9.89403 7.57405 20.89816 0.776 31.92230 O ? H ? . O 1
   HETATM 5729 O . HOH S 2396 ? 0.05356 22.44195 27.69333 0.641 23.99713 O ? H ? . O 1
   HETATM 5731 O . HOH S 2398 ? -17.16661 32.39208 -0.01308 0.621 25.32704 O ? H ? . O 1
   HETATM 5733 O . HOH S 2400 ? -9.83755 17.15911 3.81685 0.528 18.99144 O ? H ? . O 1
   HETATM 5735 O . HOH S 2402 ? -41.32876 6.32699 2.19703 0.894 40.40629 O ? H ? . O 1
   HETATM 5740 O . HOH S 2407 ? -10.57295 15.38560 5.36621 0.524 25.33348 O ? H ? . O 1
   HETATM 5742 O . HOH S 2409 ? -36.59389 3.84660 6.25139 0.743 31.89132 O ? H ? . O 1
   HETATM 5744 O . HOH S 2411 ? -40.02401 6.53076 6.33490 0.851 32.55780 O ? H ? . O 1
   HETATM 5747 O . HOH S 2414 ? 3.90992 16.47740 17.90229 0.748 28.73156 O ? H ? . O 1
   HETATM 5749 O . HOH S 2416 ? -15.12012 31.09115 16.07121 0.778 36.68607 O ? H ? . O 1
   HETATM 5750 O . HOH S 2417 ? -9.60412 36.47221 11.93405 0.697 37.79770 O ? H ? . O 1
   HETATM 5751 O . HOH S 2418 ? 6.50093 23.33678 12.40341 0.975 40.59949 O ? H ? . O 1
   HETATM 5752 O . HOH S 2419 ? -12.82903 14.05012 3.95608 0.698 32.69388 O ? H ? . O 1
   HETATM 5753 O . HOH S 2420 ? 3.97366 19.31921 15.74640 0.766 31.55927 O ? H ? . O 1
   HETATM 5755 O . HOH S 2422 ? 4.97836 19.79530 18.61406 1.000 41.56098 O ? H ? . O 1
   HETATM 5762 O . HOH S 2429 ? -16.01474 33.97154 13.08652 0.596 29.87422 O ? H ? . O 1
   HETATM 5763 O . HOH S 2430 ? -18.87845 32.15765 21.11393 0.829 38.86209 O ? H ? . O 1
   HETATM 5764 O . HOH S 2431 ? -22.21815 35.22817 -1.22936 0.585 30.91238 O ? H ? . O 1
   HETATM 5814 O . HOH S 2436 ? -36.56537 23.77374 8.23064 1.000 37.20385 O ? I ? . O 1
   HETATM 5822 O . HOH S 2444 ? -9.82296 37.29426 24.70311 0.438 19.03219 O ? I ? . O 1
   HETATM 5824 O . HOH S 2446 ? -0.98278 20.12623 33.07595 0.733 35.08561 O ? I ? . O 1
   HETATM 5825 O . HOH S 2447 ? -33.48856 30.65128 1.82285 1.000 39.92026 O ? I ? . O 1
   HETATM 5826 O . HOH S 2448 ? -3.39574 9.61307 17.46597 1.000 40.61370 O ? I ? . O 1
   HETATM 5827 O . HOH S 2449 ? -30.81150 32.21241 -6.61050 0.711 34.03060 O ? I ? . O 1
   HETATM 5828 O . HOH S 2450 ? -13.78693 20.96212 -6.15160 0.556 26.83868 O ? I ? . O 1
   HETATM 5831 O . HOH S 2453 ? -39.86350 9.76051 8.06522 0.882 37.99698 O ? I ? . O 1
   HETATM 5832 O . HOH S 2454 ? -21.32540 17.56299 -7.69459 0.475 34.62790 O ? I ? . O 1
   HETATM 5837 O . HOH S 2459 ? -10.83558 35.70262 9.63906 0.557 34.77810 O ? I ? . O 1
   HETATM 5838 O . HOH S 2460 ? -39.19863 26.83210 7.15011 0.555 27.95941 O ? I ? . O 1
   HETATM 5839 O . HOH S 2461 ? -11.57560 8.12718 18.02411 0.847 35.64994 O ? I ? . O 1
   HETATM 5843 O . HOH S 2465 ? -21.07646 30.12793 11.49343 0.769 47.06106 O ? I ? . O 1
   HETATM 5844 O . HOH S 2466 ? -16.73439 29.60200 -6.92549 0.668 31.83122 O ? I ? . O 1
   HETATM 5853 O . HOH S 2475 ? -22.02955 27.12985 19.39315 0.288 18.51138 O ? I ? . O 1
   HETATM 5854 O . HOH S 2476 ? -7.01252 8.22119 19.49769 0.547 44.94170 O ? I ? . O 1
   HETATM 5858 O . HOH S 2480 ? 2.63311 15.53582 27.24165 0.729 45.74646 O ? I ? . O 1
   HETATM 5864 O . HOH S 2486 ? -10.23627 10.87933 6.87808 0.577 34.68617 O ? I ? . O 1
   HETATM 5866 O . HOH S 2488 ? -18.78026 33.96093 12.76103 0.831 45.05877 O ? I ? . O 1
   HETATM 5868 O . HOH S 2490 ? -29.36864 30.19585 -6.80463 0.229 12.99845 O ? I ? . O 1
   HETATM 5889 O . HOH S 2491 ? -11.76611 27.04237 -2.16254 0.492 11.86284 O ? J ? . O 1
   HETATM 5892 O . HOH S 2494 ? -18.43398 15.39647 -5.66794 0.452 20.67664 O ? J ? . O 1
   HETATM 5897 O . HOH S 2499 ? -1.79717 22.30095 29.31854 0.308 12.93696 O ? J ? . O 1
   HETATM 5899 O . HOH S 2501 ? -0.60813 21.97022 19.17146 0.239 11.79341 O ? J ? . O 1
   HETATM 5900 O . HOH S 2502 ? -35.68582 15.70119 -4.59169 0.220 10.39602 O ? J ? . O 1
   HETATM 5901 O . HOH S 2503 ? -20.89176 29.50576 13.65291 0.532 27.43716 O ? J ? . O 1
   HETATM 5907 O . HOH S 2509 ? -26.49742 34.07787 3.73603 0.492 26.97694 O ? J ? . O 1
   HETATM 5908 O . HOH S 2510 ? -36.84949 12.02154 -4.43356 0.208 12.99301 O ? J ? . O 1
   HETATM 5910 O . HOH S 2512 ? -19.25241 36.58962 -0.30393 0.431 25.31255 O ? J ? . O 1
   HETATM 5915 O . HOH S 2517 ? -21.17699 32.42732 10.83648 0.372 20.93828 O ? J ? . O 1
   HETATM 5916 O . HOH S 2518 ? -25.81393 31.76910 -2.29090 0.422 24.13214 O ? J ? . O 1
   HETATM 5921 O . HOH S 2523 ? -2.26192 11.38290 17.44854 0.236 19.06812 O ? J ? . O 1
   HETATM 5924 O . HOH S 2526 ? -5.37828 8.72682 16.80961 0.582 35.67387 O ? J ? . O 1
   HETATM 5925 O . HOH S 2527 ? -14.49849 9.00073 27.34997 0.542 31.61155 O ? J ? . O 1
   HETATM 5926 O . HOH S 2528 ? -28.86907 32.32565 -8.17718 0.350 20.63868 O ? J ? . O 1
   HETATM 5927 O . HOH S 2529 ? -17.45131 13.41791 -2.64328 0.313 23.93918 O ? J ? . O 1
   HETATM 5928 O . HOH S 2530 ? -22.49929 29.61808 -11.46741 0.506 27.44037 O ? J ? . O 1
   HETATM 5931 O . HOH S 2533 ? -34.79639 29.44764 0.18413 0.466 31.60353 O ? J ? . O 1
   HETATM 5932 O . HOH S 2534 ? -21.39041 30.62100 -7.52561 0.315 18.69195 O ? J ? . O 1
   HETATM 5938 O . HOH S 2540 ? -15.94837 31.17542 33.12762 0.228 15.25357 O ? J ? . O 1
   HETATM 5960 O . HOH S 2545 ? -2.32461 25.87881 29.51682 0.393 16.31378 O ? K ? . O 1
   HETATM 5964 O . HOH S 2549 ? -32.36892 35.32238 1.29131 0.755 38.82099 O ? K ? . O 1
   HETATM 5965 O . HOH S 2550 ? -36.61117 21.41584 10.04056 0.519 23.61710 O ? K ? . O 1
   HETATM 5966 O . HOH S 2551 ? -13.45792 15.28732 -2.16149 0.423 23.00175 O ? K ? . O 1
   HETATM 5968 O . HOH S 2553 ? -4.71483 8.53738 19.11494 0.790 40.42246 O ? K ? . O 1
   HETATM 5970 O . HOH S 2555 ? 4.85859 20.52547 11.63075 0.571 24.92758 O ? K ? . O 1
   HETATM 5971 O . HOH S 2556 ? 5.41358 29.35417 13.55480 0.440 20.73086 O ? K ? . O 1
   HETATM 5977 O . HOH S 2562 ? 0.48608 11.33495 19.10954 0.459 26.61626 O ? K ? . O 1
   HETATM 5982 O . HOH S 2567 ? -19.12885 31.96491 -8.88239 0.445 26.03285 O ? K ? . O 1
   HETATM 5986 O . HOH S 2571 ? -2.89112 12.42782 11.22010 0.376 24.96319 O ? K ? . O 1
   HETATM 5987 O . HOH S 2572 ? -16.46775 34.14827 24.11656 0.704 36.94753 O ? K ? . O 1
   HETATM 5990 O . HOH S 2575 ? 4.85780 26.50315 19.00233 0.590 35.46649 O ? K ? . O 1
   HETATM 5992 O . HOH S 2577 ? -32.73766 28.56429 9.51385 0.672 40.16556 O ? K ? . O 1
   HETATM 6007 O . HOH S 2581 ? -24.84060 29.54082 8.90293 0.738 28.46546 O ? L ? . O 1
   HETATM 6008 O . HOH S 2582 ? -17.29245 31.24449 12.88920 0.622 25.86370 O ? L ? . O 1
   HETATM 6016 O . HOH S 2590 ? 2.25010 23.51473 13.51955 0.464 29.67458 O ? L ? . O 1
   HETATM 6018 O . HOH S 2592 ? -32.17912 35.24520 -8.22439 0.510 34.77189 O ? L ? . O 1
   HETATM 6019 O . HOH S 2593 ? -14.30755 18.36760 25.49923 0.306 12.42017 O ? L ? . O 1
   HETATM 6022 O . HOH S 2596 ? -40.91031 19.32875 10.42577 0.401 24.44860 O ? L ? . O 1
   HETATM 6023 O . HOH S 2597 ? -9.43842 8.99033 13.07587 0.452 30.63834 O ? L ? . O 1
   HETATM 6025 O . HOH S 2599 ? 0.55260 21.08648 12.73268 0.235 15.19759 O ? L ? . O 1
   HETATM 6032 O . HOH S 2606 ? 4.30288 24.90540 20.00364 0.334 21.35212 O ? L ? . O 1
   HETATM 6033 O . HOH S 2607 ? -26.08341 27.81821 17.06851 0.335 28.32696 O ? L ? . O 1
   HETATM 6036 O . HOH S 2610 ? -30.75140 27.99330 12.23040 0.395 29.05510 O ? L ? . O 1

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

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   PCA N CA single 1.458 0.019 1.458
   PCA N CD single 1.345 0.020 1.345
   PCA N H single 0.860 0.020 0.860
   PCA CA CB single 1.530 0.020 1.530
   PCA CA C single 1.525 0.021 1.525
   PCA CA HA single 0.970 0.020 0.970
   PCA CB CG single 1.525 0.020 1.525
   PCA CB HB2 single 0.970 0.020 1.090
   PCA CB HB3 single 0.970 0.020 1.090
   PCA CG CD single 1.517 0.020 1.517
   PCA CG HG2 single 0.970 0.020 1.090
   PCA CG HG3 single 0.970 0.020 1.090
   PCA CD OE double 1.221 0.020 1.221
   PCA C O deloc 1.231 0.020 1.231
   PCA C OXT deloc 1.247 0.020 1.247

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   PCA H N CD 120.30 3.000
   PCA H N CA 114.00 3.000
   PCA CD N CA 114.17 3.000
   PCA HA CA C 109.00 3.000
   PCA HA CA CB 109.00 3.000
   PCA C CA CB 110.10 1.900
   PCA HA CA N 110.00 3.000
   PCA C CA N 111.00 2.800
   PCA CB CA N 110.50 1.700
   PCA HB3 CB HB2 107.63 3.000
   PCA HB3 CB CG 109.95 3.000
   PCA HB2 CB CG 113.77 3.000
   PCA HB3 CB CA 109.90 3.000
   PCA HB2 CB CA 112.29 3.000
   PCA CG CB CA 103.25 3.000
   PCA HG3 CG HG2 107.15 3.000
   PCA HG3 CG CD 111.26 3.000
   PCA HG2 CG CD 108.14 3.000
   PCA HG3 CG CB 114.17 3.000
   PCA HG2 CG CB 112.05 3.000
   PCA CD CG CB 103.97 3.000
   PCA OE CD CG 126.48 3.000
   PCA OE CD N 126.29 3.000
   PCA CG CD N 107.23 3.000
   PCA OXT C O 127.86 3.000
   PCA OXT C CA 114.54 3.000
   PCA O C CA 120.80 1.700

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

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

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

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

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   PCA PCA '5-oxo-L-proline          ' L-peptide 15 9 .

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

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

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
   HEC CHA C1A coval 1.378 0.020
   HEC CHA HHA coval 0.980 0.020
   HEC C1A C2A coval 1.449 0.020
   HEC C1A NA coval 1.384 0.020
   HEC C2A CAA coval 1.544 0.020
   HEC C2A C3A coval 1.334 0.020
   HEC CAA CBA coval 1.525 0.020
   HEC CAA HAA1 coval 0.970 0.020
   HEC CAA HAA2 coval 0.970 0.020
   HEC CBA CGA coval 1.506 0.020
   HEC CBA HBA1 coval 0.970 0.020
   HEC CBA HBA2 coval 0.970 0.020
   HEC CGA O1A coval 1.258 0.020
   HEC CGA O2A coval 1.258 0.020
   HEC C3A CMA coval 1.544 0.020
   HEC C3A C4A coval 1.449 0.020
   HEC CMA HMA1 coval 0.980 0.020
   HEC CMA HMA2 coval 0.980 0.020
   HEC CMA HMA3 coval 0.980 0.020
   HEC C4A NA coval 1.384 0.020
   HEC C4A CHB coval 1.378 0.020
   HEC CHB C1B coval 1.378 0.020
   HEC CHB HHB coval 0.980 0.020
   HEC C1B C2B coval 1.449 0.020
   HEC C1B NB coval 1.384 0.020
   HEC C2B CMB coval 1.544 0.020
   HEC C2B C3B coval 1.334 0.020
   HEC CMB HMB1 coval 0.970 0.020
   HEC CMB HMB2 coval 0.970 0.020
   HEC CMB HMB3 coval 0.970 0.020
   HEC C3B CAB coval 1.544 0.020
   HEC C3B C4B coval 1.449 0.020
   HEC CAB CBB coval 1.544 0.020
   HEC CAB HAB coval 0.960 0.020
   HEC CBB HBB1 coval 0.970 0.020
   HEC CBB HBB2 coval 0.970 0.020
   HEC CBB HBB3 coval 0.970 0.020
   HEC C4B NB coval 1.384 0.020
   HEC C4B CHC coval 1.378 0.020
   HEC CHC C1C coval 1.378 0.020
   HEC CHC HHC coval 0.980 0.020
   HEC C1C C2C coval 1.449 0.020
   HEC C1C NC coval 1.384 0.020
   HEC C2C CMC coval 1.544 0.020
   HEC C2C C3C coval 1.334 0.020
   HEC CMC HMC1 coval 0.970 0.020
   HEC CMC HMC2 coval 0.970 0.020
   HEC CMC HMC3 coval 0.970 0.020
   HEC C3C CAC coval 1.544 0.020
   HEC C3C C4C coval 1.449 0.020
   HEC CAC CBC coval 1.544 0.020
   HEC CAC HAC coval 0.960 0.020
   HEC CBC HBC1 coval 0.970 0.020
   HEC CBC HBC2 coval 0.970 0.020
   HEC CBC HBC3 coval 0.970 0.020
   HEC C4C NC coval 1.384 0.020
   HEC C4C CHD coval 1.378 0.020
   HEC CHD HHD coval 0.980 0.020
   HEC C3D C2D coval 1.544 0.020
   HEC C2D CMD coval 1.544 0.020
   HEC C2D C1D coval 1.449 0.020
   HEC CMD HMD1 coval 0.980 0.020
   HEC CMD HMD2 coval 0.980 0.020
   HEC CMD HMD3 coval 0.980 0.020
   HEC C1D ND coval 1.384 0.020
   HEC C1D CHD coval 1.378 0.020
   HEC CHA C4D coval 1.378 0.020
   HEC C4D C3D coval 1.449 0.020
   HEC C4D ND coval 1.384 0.020
   HEC C3D CAD coval 1.544 0.020
   HEC CAD CBD coval 1.525 0.020
   HEC CAD HAD1 coval 0.970 0.020
   HEC CAD HAD2 coval 0.970 0.020
   HEC CBD CGD coval 1.506 0.020
   HEC CBD HBD1 coval 0.970 0.020
   HEC CBD HBD2 coval 0.970 0.020
   HEC CGD O1D coval 1.258 0.020
   HEC CGD O2D coval 1.258 0.020
   HEC FE NA metal 2.080 0.070
   HEC FE NB metal 2.080 0.070
   HEC FE NC metal 2.080 0.070
   HEC FE ND metal 2.080 0.070

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   HEC C4D CHA C1A 126.000 3.000
   HEC HHA CHA C1A 117.000 3.000
   HEC HHA CHA C4D 117.000 3.000
   HEC CHA C1A C2A 126.000 3.000
   HEC CHA C1A NA 126.000 3.000
   HEC C2A C1A NA 108.000 3.000
   HEC CHA C4D C3D 126.000 3.000
   HEC CHA C4D ND 126.000 3.000
   HEC C3D C4D ND 108.000 3.000
   HEC C1A C2A CAA 126.000 3.000
   HEC CAA C2A C3A 126.000 3.000
   HEC C1A C2A C3A 108.000 3.000
   HEC C4D C3D CAD 126.000 3.000
   HEC CAD C3D C2D 126.000 3.000
   HEC C4D C3D C2D 108.000 3.000
   HEC C2A CAA CBA 109.500 3.000
   HEC C2A CAA HAA1 109.500 3.000
   HEC C2A CAA HAA2 109.500 3.000
   HEC CBA CAA HAA1 109.500 3.000
   HEC CBA CAA HAA2 109.500 3.000
   HEC HAA1 CAA HAA2 109.500 3.000
   HEC C3D CAD CBD 109.500 3.000
   HEC C3D CAD HAD1 109.500 3.000
   HEC C3D CAD HAD2 109.500 3.000
   HEC CBD CAD HAD1 109.500 3.000
   HEC CBD CAD HAD2 109.500 3.000
   HEC HAD1 CAD HAD2 109.500 3.000
   HEC CAA CBA CGA 109.500 3.000
   HEC CAA CBA HBA1 109.500 3.000
   HEC CAA CBA HBA2 109.500 3.000
   HEC CGA CBA HBA1 109.500 3.000
   HEC CGA CBA HBA2 109.500 3.000
   HEC HBA1 CBA HBA2 109.500 3.000
   HEC CAD CBD CGD 109.500 3.000
   HEC CAD CBD HBD1 109.500 3.000
   HEC CAD CBD HBD2 109.500 3.000
   HEC CGD CBD HBD1 109.500 3.000
   HEC CGD CBD HBD2 109.500 3.000
   HEC HBD1 CBD HBD2 109.500 3.000
   HEC CBA CGA O1A 118.500 3.000
   HEC CBA CGA O2A 118.500 3.000
   HEC O1A CGA O2A 123.000 3.000
   HEC CBD CGD O1D 118.500 3.000
   HEC CBD CGD O2D 118.500 3.000
   HEC O1D CGD O2D 123.000 3.000
   HEC C2A C3A CMA 126.000 3.000
   HEC C2A C3A C4A 108.000 3.000
   HEC C4A C3A CMA 126.000 3.000
   HEC C3D C2D CMD 126.000 3.000
   HEC C3D C2D C1D 108.000 3.000
   HEC C1D C2D CMD 126.000 3.000
   HEC C3A CMA HMA1 109.500 3.000
   HEC C3A CMA HMA2 109.500 3.000
   HEC C3A CMA HMA3 109.500 3.000
   HEC HMA1 CMA HMA2 109.500 3.000
   HEC HMA1 CMA HMA3 109.500 3.000
   HEC HMA2 CMA HMA3 109.500 3.000
   HEC C2D CMD HMD1 109.500 3.000
   HEC C2D CMD HMD2 109.500 3.000
   HEC C2D CMD HMD3 109.500 3.000
   HEC HMD1 CMD HMD2 109.500 3.000
   HEC HMD1 CMD HMD3 109.500 3.000
   HEC HMD2 CMD HMD3 109.500 3.000
   HEC C3A C4A CHB 126.000 3.000
   HEC C3A C4A NA 108.000 3.000
   HEC NA C4A CHB 126.000 3.000
   HEC C2D C1D CHD 126.000 3.000
   HEC C2D C1D ND 108.000 3.000
   HEC ND C1D CHD 126.000 3.000
   HEC C1A NA C4A 108.000 3.000
   HEC C1A NA FE 126.000 10.000
   HEC FE NA C4A 126.000 10.000
   HEC C4D ND C1D 108.000 3.000
   HEC C4D ND FE 126.000 10.000
   HEC FE ND C1D 126.000 10.000
   HEC C4A CHB C1B 126.000 3.000
   HEC HHB CHB C1B 117.000 3.000
   HEC HHB CHB C4A 117.000 3.000
   HEC C4C CHD C1D 126.000 3.000
   HEC HHD CHD C1D 117.000 3.000
   HEC HHD CHD C4C 117.000 3.000
   HEC CHB C1B C2B 126.000 3.000
   HEC CHB C1B NB 126.000 3.000
   HEC C2B C1B NB 108.000 3.000
   HEC CHC C1C C2C 126.000 3.000
   HEC CHC C1C NC 126.000 3.000
   HEC C2C C1C NC 108.000 3.000
   HEC C1B C2B CMB 126.000 3.000
   HEC CMB C2B C3B 126.000 3.000
   HEC C1B C2B C3B 108.000 3.000
   HEC C1C C2C CMC 126.000 3.000
   HEC CMC C2C C3C 126.000 3.000
   HEC C1C C2C C3C 108.000 3.000
   HEC C2B CMB HMB1 109.500 3.000
   HEC C2B CMB HMB2 109.500 3.000
   HEC C2B CMB HMB3 109.500 3.000
   HEC HMB1 CMB HMB2 109.500 3.000
   HEC HMB1 CMB HMB3 109.500 3.000
   HEC HMB2 CMB HMB3 109.500 3.000
   HEC C2C CMC HMC1 109.500 3.000
   HEC C2C CMC HMC2 109.500 3.000
   HEC C2C CMC HMC3 109.500 3.000
   HEC HMC1 CMC HMC2 109.500 3.000
   HEC HMC1 CMC HMC3 109.500 3.000
   HEC HMC2 CMC HMC3 109.500 3.000
   HEC C2B C3B CAB 126.000 3.000
   HEC C4B C3B CAB 126.000 3.000
   HEC C4B C3B C2B 108.000 3.000
   HEC C2C C3C CAC 126.000 3.000
   HEC C4C C3C CAC 126.000 3.000
   HEC C4C C3C C2C 108.000 3.000
   HEC C3B CAB CBB 109.000 3.000
   HEC C3B CAB HAB 109.000 3.000
   HEC HAB CAB CBB 109.000 3.000
   HEC CAB CBB HBB1 109.000 3.000
   HEC CAB CBB HBB2 109.000 3.000
   HEC CAB CBB HBB3 109.000 3.000
   HEC HBB1 CBB HBB2 109.000 3.000
   HEC HBB1 CBB HBB3 109.000 3.000
   HEC HBB2 CBB HBB3 109.000 3.000
   HEC C3C CAC CBC 109.000 3.000
   HEC C3C CAC HAC 109.000 3.000
   HEC HAC CAC CBC 109.000 3.000
   HEC CAC CBC HBC1 109.000 3.000
   HEC CAC CBC HBC2 109.000 3.000
   HEC CAC CBC HBC3 109.000 3.000
   HEC HBC1 CBC HBC2 109.000 3.000
   HEC HBC1 CBC HBC3 109.000 3.000
   HEC HBC2 CBC HBC3 109.000 3.000
   HEC C3B C4B CHC 126.000 3.000
   HEC CHC C4B NB 126.000 3.000
   HEC NB C4B C3B 108.000 3.000
   HEC C3C C4C CHD 126.000 3.000
   HEC CHD C4C NC 126.000 3.000
   HEC NC C4C C3C 108.000 3.000
   HEC C4B NB C1B 108.000 3.000
   HEC C4B NB FE 126.000 10.000
   HEC FE NB C1B 126.000 10.000
   HEC C4C NC C1C 108.000 3.000
   HEC C4C NC FE 126.000 10.000
   HEC FE NC C1C 126.000 10.000
   HEC C4B CHC C1C 126.000 3.000
   HEC HHC CHC C1C 117.000 3.000
   HEC HHC CHC C4B 117.000 3.000
   HEC NA FE NB 90.000 10.000
   HEC NA FE ND 90.000 10.000
   HEC NB FE NC 90.000 10.000
   HEC NC FE ND 90.000 10.000
   HEC NB FE ND 180.000 10.000
   HEC NA FE NC 180.000 10.000

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

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

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

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   HEC . 'heme-C                              ' non-polymer 75 43 .

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 .

data_comp_NO
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
   NO N N N 0.000
   NO 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
   NO N n/a O START
   NO O N . 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
   NO O N coval 1.450 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
   NO . 'NITROGEN MONOXIDE                   ' non-polymer 2 2 .

data_comp_NO3
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
   NO3 N N N 1 0.651 -7.5615 9.9090 13.8162
   NO3 O1 O O 0 -0.550 -7.7574 10.1564 12.6206
   NO3 O2 O O -1 -0.550 -6.6024 9.2045 14.1527
   NO3 O3 O O -1 -0.550 -8.3252 10.3657 14.6749

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
   NO3 N O1 double 1.237 0.020 1.237
   NO3 N O2 single 1.237 0.020 1.237
   NO3 N O3 single 1.237 0.020 1.237

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
   NO3 O3 N O2 120.03 3.000
   NO3 O3 N O1 119.97 3.000
   NO3 O2 N O1 119.99 3.000

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
   NO3 plan-1 N 0.020
   NO3 plan-1 O1 0.020
   NO3 plan-1 O2 0.020
   NO3 plan-1 O3 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   NO3 plan-1

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
   NO3 NO3 'nitrate                  ' ligand 4 4 .

