data_3vrc_qFit
_cell.length_a                    41.310
_cell.length_b                    57.189
_cell.length_c                    54.225
_cell.angle_alpha                 90.000
_cell.angle_beta                  94.814
_cell.angle_gamma                 90.000
_cell.volume                      127653.439
_space_group.crystal_system       monoclinic
_space_group.IT_number            4
_space_group.name_H-M_alt         'P 1 21 1'
_space_group.name_Hall            ' P 2yb'
_symmetry.space_group_name_H-M    'P 1 21 1'
_symmetry.space_group_name_Hall   ' P 2yb'
_symmetry.Int_Tables_number       4
_reflns.B_iso_Wilson_estimate     10.03
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              34.16
_refine.ls_d_res_high             1.00
_refine.pdbx_ls_sigma_F           0.06
_refine.ls_percent_reflns_obs     93.98
_refine.ls_number_reflns_obs      127358
_refine.ls_number_reflns_R_work   125345
_refine.ls_number_reflns_R_free   2013
_refine.ls_R_factor_obs           0.1856
_refine.ls_R_factor_R_work        0.1852
_refine.ls_R_factor_R_free        0.2082
_refine.ls_percent_reflns_R_free  1.58
_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             0.1044
_refine.pdbx_overall_phase_error  24.9504
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                19.02
_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+1/2,-z

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 2169 0.0112 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2964 1.2809 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 300 0.0762 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 400 0.0121 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 768 19.8603 ? ?

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' 2.41 34.16 9705 0.1637 99.95 0.1968 151
   'X-RAY DIFFRACTION' 1.91 2.41 9559 0.1715 99.88 0.2009 152
   'X-RAY DIFFRACTION' 1.67 1.91 9523 0.1719 99.62 0.1965 150
   'X-RAY DIFFRACTION' 1.52 1.67 9469 0.1682 99.43 0.1713 148
   'X-RAY DIFFRACTION' 1.41 1.52 9444 0.1761 99.12 0.1908 150
   'X-RAY DIFFRACTION' 1.33 1.41 9409 0.1881 98.84 0.2121 151
   'X-RAY DIFFRACTION' 1.26 1.33 9304 0.1928 98.04 0.2118 143
   'X-RAY DIFFRACTION' 1.20 1.26 9283 0.2117 97.53 0.2178 145
   'X-RAY DIFFRACTION' 1.16 1.20 9155 0.2243 96.58 0.2658 165
   'X-RAY DIFFRACTION' 1.12 1.16 9036 0.2398 95.12 0.2309 139
   'X-RAY DIFFRACTION' 1.08 1.12 8807 0.2707 92.81 0.2504 140
   'X-RAY DIFFRACTION' 1.05 1.08 8372 0.2911 87.96 0.2877 139
   'X-RAY DIFFRACTION' 1.02 1.05 7600 0.3028 80.36 0.3251 121
   'X-RAY DIFFRACTION' 1.00 1.02 6679 0.3128 70.23 0.3174 119

loop_
  _struct_asym.id
   A
   B
   C
   D
   E
   F
   G
   H
   I
   J
   K
   L
   M
   N
   O
   P
   Q
   R
   S
   T
   U
   V
   W

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 CYS A 121 SG CYS A 120 SG . HEC A 200 CAB HEC C . CAB . 'Bond created based on atom type and distance.'
   C00002 covale CYS A 124 SG CYS A 123 SG . HEC A 200 CAC HEC C . CAC . 'Bond created based on atom type and distance.'
   C00003 covale HIS A 125 NE2 HIS A 124 NE2 . HEC A 200 FE HEC C . FE . 'Bond created based on atom type and distance.'
   C00004 covale CYS B 121 SG CYS B 121 SG . HEC B 201 CAB HEC M . CAB . 'Bond created based on atom type and distance.'
   C00005 covale CYS B 124 SG CYS B 124 SG . HEC B 201 CAC HEC M . CAC . 'Bond created based on atom type and distance.'
   C00006 covale HIS B 125 NE2 HIS B 125 NE2 . HEC B 201 FE HEC M . FE . 'Bond created based on atom type and distance.'

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 2.51340 1.74867 1.72398 . 31.80534 0.44561 10.58317 . 0.0 
;
3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Cd . . 22.99615 19.14409 5.75799 . 0.37852 6.39053 35.70075 . 0.0 
;
3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Cl . . 9.50761 7.44341 . . 1.04373 23.83732 . . 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.
;
 .
   N . . 2.99955 2.25584 1.72788 . 23.27268 7.45433 0.31622 . 0.0 
;
3-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
   CD
   CL
   CYS
   GLN
   GLU
   GLY
   HEC
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PEG
   PG4
   PHE
   PRO
   SER
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . ASP A 2 ? 14.92427 -16.79447 17.38926 1.000 35.97984 N ? A ? 1 N 1
   ATOM 2 CA . ASP A 2 ? 15.98990 -16.79717 18.38467 1.000 31.51311 C ? A ? 1 CA 1
   ATOM 3 C . ASP A 2 ? 17.38174 -16.71293 17.71239 1.000 30.28135 C ? A ? 1 C 1
   ATOM 4 O . ASP A 2 ? 17.69053 -17.51215 16.82524 1.000 29.76399 O ? A ? 1 O 1
   ATOM 5 CB . ASP A 2 ? 15.86080 -18.06693 19.22411 1.000 40.02141 C ? A ? 1 CB 1
   ATOM 6 CG . ASP A 2 ? 14.84754 -17.93034 20.36518 1.000 44.93642 C ? A ? 1 CG 1
   ATOM 7 OD1 . ASP A 2 ? 14.51450 -16.78675 20.75139 1.000 38.33429 O ? A ? 1 OD1 1
   ATOM 8 OD2 . ASP A 2 ? 14.39586 -18.97338 20.89089 1.000 35.71012 O ? A ? 1 OD2 1
   ATOM 9 N . LEU A 3 ? 18.21174 -15.74467 18.12043 1.000 21.53246 N ? A ? 2 N 1
   ATOM 10 CA . LEU A 3 ? 19.53359 -15.56575 17.51092 1.000 15.65749 C ? A ? 2 CA 1
   ATOM 11 C . LEU A 3 ? 20.51124 -16.62894 18.01554 1.000 13.12562 C ? A ? 2 C 1
   ATOM 12 O . LEU A 3 ? 20.57850 -16.91152 19.21387 1.000 14.28063 O ? A ? 2 O 1
   ATOM 13 CB . LEU A 3 ? 20.08671 -14.17344 17.84352 1.000 14.88102 C ? A ? 2 CB 1
   ATOM 14 CG . LEU A 3 ? 19.82766 -13.06247 16.84294 1.000 16.12722 C ? A ? 2 CG 1
   ATOM 15 CD1 . LEU A 3 ? 18.34757 -12.81527 16.63799 1.000 23.87501 C ? A ? 2 CD1 1
   ATOM 16 CD2 . LEU A 3 ? 20.50403 -11.78114 17.28272 1.000 13.97868 C ? A ? 2 CD2 1
   ATOM 17 N . SER A 4 ? 21.29711 -17.21613 17.10548 1.000 13.18303 N ? A ? 3 N 1
   ATOM 18 CA . SER A 4 ? 22.35239 -18.13435 17.52422 1.000 14.14759 C ? A ? 3 CA 1
   ATOM 19 C . SER A 4 ? 23.43854 -17.37985 18.29371 1.000 11.48419 C ? A ? 3 C 1
   ATOM 20 O . SER A 4 ? 23.52819 -16.14631 18.21341 1.000 11.49739 O ? A ? 3 O 1
   ATOM 21 CB . SER A 4 ? 22.99579 -18.76695 16.29361 1.000 14.17009 C ? A ? 3 CB 1
   ATOM 22 OG . SER A 4 ? 23.70496 -17.77970 15.55969 1.000 15.48770 O ? A ? 3 OG 1
   ATOM 23 N . PRO A 5 ? 24.33068 -18.06830 19.00205 1.000 12.57108 N ? A ? 4 N 1
   ATOM 24 CA . PRO A 5 ? 25.43304 -17.33545 19.67347 1.000 11.08926 C ? A ? 4 CA 1
   ATOM 25 C . PRO A 5 ? 26.25903 -16.48561 18.71314 1.000 11.73683 C ? A ? 4 C 1
   ATOM 26 O . PRO A 5 ? 26.56080 -15.30568 19.01152 1.000 11.72392 O ? A ? 4 O 1
   ATOM 27 CB . PRO A 5 ? 26.24437 -18.45319 20.33218 1.000 14.35699 C ? A ? 4 CB 1
   ATOM 28 CG . PRO A 5 ? 25.21562 -19.55537 20.57783 1.000 14.95083 C ? A ? 4 CG 1
   ATOM 29 CD . PRO A 5 ? 24.22769 -19.47749 19.45769 1.000 13.72051 C ? A ? 4 CD 1
   ATOM 30 N A GLU A 6 ? 26.60609 -17.01317 17.53289 0.494 14.14812 N ? A ? 5 N 1
   ATOM 31 CA A GLU A 6 ? 27.41321 -16.23386 16.59383 0.494 14.61485 C ? A ? 5 CA 1
   ATOM 32 C A GLU A 6 ? 26.64495 -15.00847 16.09360 0.494 12.97769 C ? A ? 5 C 1
   ATOM 33 O A GLU A 6 ? 27.22035 -13.92157 15.90318 0.494 11.16994 O ? A ? 5 O 1
   ATOM 34 CB A GLU A 6 ? 27.88521 -17.11510 15.43335 0.494 19.30718 C ? A ? 5 CB 1
   ATOM 35 CG A GLU A 6 ? 26.81470 -17.47988 14.40921 0.494 23.24461 C ? A ? 5 CG 1
   ATOM 36 CD A GLU A 6 ? 27.40783 -18.07910 13.13693 0.494 37.42440 C ? A ? 5 CD 1
   ATOM 37 OE1 A GLU A 6 ? 28.61574 -17.88101 12.89678 0.494 45.79180 O ? A ? 5 OE1 1
   ATOM 38 OE2 A GLU A 6 ? 26.67972 -18.75728 12.38207 0.494 42.40096 O ? A ? 5 OE2 1
   ATOM 39 N B GLU A 6 ? 26.62481 -17.05493 17.56143 0.506 14.18506 N ? A ? 5 N 1
   ATOM 40 CA B GLU A 6 ? 27.37541 -16.31600 16.55766 0.506 14.65747 C ? A ? 5 CA 1
   ATOM 41 C B GLU A 6 ? 26.64047 -15.03571 16.18095 0.506 12.96491 C ? A ? 5 C 1
   ATOM 42 O B GLU A 6 ? 27.22713 -13.94252 16.19120 0.506 12.12100 O ? A ? 5 O 1
   ATOM 43 CB B GLU A 6 ? 27.60397 -17.21216 15.33850 0.506 19.13689 C ? A ? 5 CB 1
   ATOM 44 CG B GLU A 6 ? 28.23289 -16.52736 14.13923 0.506 26.84396 C ? A ? 5 CG 1
   ATOM 45 CD B GLU A 6 ? 28.64513 -17.51162 13.05370 0.506 45.03731 C ? A ? 5 CD 1
   ATOM 46 OE1 B GLU A 6 ? 28.55159 -18.73144 13.29123 0.506 44.28218 O ? A ? 5 OE1 1
   ATOM 47 OE2 B GLU A 6 ? 29.06880 -17.07280 11.96400 0.506 46.51007 O ? A ? 5 OE2 1
   ATOM 48 N . GLU A 7 ? 25.33375 -15.14338 15.91686 1.000 13.28435 N ? A ? 6 N 1
   ATOM 49 CA . GLU A 7 ? 24.55362 -13.96917 15.53419 1.000 11.01070 C ? A ? 6 CA 1
   ATOM 50 C . GLU A 7 ? 24.47703 -12.93819 16.65244 1.000 9.88194 C ? A ? 6 C 1
   ATOM 51 O . GLU A 7 ? 24.48100 -11.74573 16.38550 1.000 10.02340 O ? A ? 6 O 1
   ATOM 52 CB . GLU A 7 ? 23.15170 -14.37934 15.11025 1.000 13.24460 C ? A ? 6 CB 1
   ATOM 53 CG . GLU A 7 ? 23.17917 -15.06591 13.81260 1.000 15.19945 C ? A ? 6 CG 1
   ATOM 54 CD . GLU A 7 ? 21.91518 -15.75134 13.51944 1.000 34.89862 C ? A ? 6 CD 1
   ATOM 55 OE1 . GLU A 7 ? 21.67696 -15.91732 12.31856 1.000 30.33376 O ? A ? 6 OE1 1
   ATOM 56 OE2 . GLU A 7 ? 21.17428 -16.12144 14.45622 1.000 28.43852 O ? A ? 6 OE2 1
   ATOM 57 N . GLN A 8 ? 24.38209 -13.36091 17.89672 1.000 11.51398 N ? A ? 7 N 1
   ATOM 58 CA . GLN A 8 ? 24.38595 -12.41937 19.00476 1.000 9.64970 C ? A ? 7 CA 1
   ATOM 59 C . GLN A 8 ? 25.69930 -11.63655 19.07394 1.000 8.46006 C ? A ? 7 C 1
   ATOM 60 O . GLN A 8 ? 25.68677 -10.40955 19.26304 1.000 7.87446 O ? A ? 7 O 1
   ATOM 61 CB . GLN A 8 ? 24.12392 -13.16899 20.30233 1.000 11.28537 C ? A ? 7 CB 1
   ATOM 62 CG . GLN A 8 ? 22.72159 -13.73360 20.41557 1.000 12.50853 C ? A ? 7 CG 1
   ATOM 63 CD . GLN A 8 ? 22.60657 -14.57795 21.66314 1.000 12.02880 C ? A ? 7 CD 1
   ATOM 64 OE1 . GLN A 8 ? 22.81558 -14.06357 22.77515 1.000 12.50105 O ? A ? 7 OE1 1
   ATOM 65 NE2 . GLN A 8 ? 22.30952 -15.87386 21.50708 1.000 16.40823 N ? A ? 7 NE2 1
   ATOM 66 N . ILE A 9 ? 26.83483 -12.33555 18.90211 1.000 9.84891 N ? A ? 8 N 1
   ATOM 67 CA . ILE A 9 ? 28.12058 -11.63701 18.89985 1.000 9.34789 C ? A ? 8 CA 1
   ATOM 68 C . ILE A 9 ? 28.17566 -10.62080 17.76482 1.000 8.77959 C ? A ? 8 C 1
   ATOM 69 O . ILE A 9 ? 28.53289 -9.43793 17.94850 1.000 8.36157 O ? A ? 8 O 1
   ATOM 70 CB . ILE A 9 ? 29.26021 -12.66802 18.78432 1.000 9.09797 C ? A ? 8 CB 1
   ATOM 71 CG1 . ILE A 9 ? 29.33662 -13.56286 20.02865 1.000 9.96022 C ? A ? 8 CG1 1
   ATOM 72 CG2 . ILE A 9 ? 30.60089 -11.93117 18.50009 1.000 10.22695 C ? A ? 8 CG2 1
   ATOM 73 CD1 . ILE A 9 ? 30.19780 -14.83519 19.88415 1.000 10.52514 C ? A ? 8 CD1 1
   ATOM 74 N . GLU A 10 ? 27.80958 -11.07022 16.55994 1.000 9.61070 N ? A ? 9 N 1
   ATOM 75 CA . GLU A 10 ? 27.87195 -10.15733 15.42225 1.000 10.19455 C ? A ? 9 CA 1
   ATOM 76 C . GLU A 10 ? 26.95989 -8.95426 15.63835 1.000 8.48163 C ? A ? 9 C 1
   ATOM 77 O . GLU A 10 ? 27.29811 -7.82022 15.27320 1.000 9.80471 O ? A ? 9 O 1
   ATOM 78 CB . GLU A 10 ? 27.50223 -10.89362 14.13684 1.000 13.23251 C ? A ? 9 CB 1
   ATOM 79 CG . GLU A 10 ? 28.49895 -12.00676 13.85627 1.000 27.23789 C ? A ? 9 CG 1
   ATOM 80 CD . GLU A 10 ? 28.11737 -12.85679 12.68634 1.000 58.18983 C ? A ? 9 CD 1
   ATOM 81 OE1 . GLU A 10 ? 29.02680 -13.30624 11.96756 1.000 65.02161 O ? A ? 9 OE1 1
   ATOM 82 OE2 . GLU A 10 ? 26.91316 -13.06521 12.49165 1.000 60.01200 O ? A ? 9 OE2 1
   ATOM 83 N . THR A 11 ? 25.78145 -9.20442 16.19023 1.000 9.36061 N ? A ? 10 N 1
   ATOM 84 CA . THR A 11 ? 24.80752 -8.12533 16.33342 1.000 9.33297 C ? A ? 10 CA 1
   ATOM 85 C . THR A 11 ? 25.23459 -7.12791 17.39794 1.000 8.13228 C ? A ? 10 C 1
   ATOM 86 O . THR A 11 ? 25.08328 -5.90524 17.20333 1.000 8.52541 O ? A ? 10 O 1
   ATOM 87 CB . THR A 11 ? 23.41145 -8.69262 16.60240 1.000 9.20499 C ? A ? 10 CB 1
   ATOM 88 OG1 . THR A 11 ? 23.04344 -9.57199 15.51594 1.000 12.14676 O ? A ? 10 OG1 1
   ATOM 89 CG2 . THR A 11 ? 22.36073 -7.59563 16.69930 1.000 9.91869 C ? A ? 10 CG2 1
   ATOM 90 N . ARG A 12 ? 25.75150 -7.60703 18.53884 1.000 7.81457 N ? A ? 11 N 1
   ATOM 91 CA . ARG A 12 ? 26.19487 -6.64117 19.53796 1.000 8.32657 C ? A ? 11 CA 1
   ATOM 92 C . ARG A 12 ? 27.37443 -5.82461 19.01730 1.000 8.23300 C ? A ? 11 C 1
   ATOM 93 O . ARG A 12 ? 27.41670 -4.58467 19.20233 1.000 8.50071 O ? A ? 11 O 1
   ATOM 94 CB . ARG A 12 ? 26.47926 -7.30422 20.88022 1.000 8.13328 C ? A ? 11 CB 1
   ATOM 95 CG . ARG A 12 ? 27.69445 -8.17356 20.99509 1.000 8.74449 C ? A ? 11 CG 1
   ATOM 96 CD . ARG A 12 ? 27.54864 -9.17634 22.11933 1.000 8.72395 C ? A ? 11 CD 1
   ATOM 97 NE . ARG A 12 ? 28.77106 -9.97020 22.33401 1.000 8.25823 N ? A ? 11 NE 1
   ATOM 98 CZ . ARG A 12 ? 28.81016 -11.09959 23.03189 1.000 8.75242 C ? A ? 11 CZ 1
   ATOM 99 NH1 . ARG A 12 ? 27.71119 -11.67282 23.48902 1.000 10.04881 N ? A ? 11 NH1 1
   ATOM 100 NH2 . ARG A 12 ? 29.99196 -11.66242 23.31068 1.000 9.37275 N ? A ? 11 NH2 1
   ATOM 101 N . GLN A 13 ? 28.30278 -6.47780 18.30978 1.000 9.26307 N ? A ? 12 N 1
   ATOM 102 CA . GLN A 13 ? 29.40939 -5.73937 17.70625 1.000 8.32173 C ? A ? 12 CA 1
   ATOM 103 C . GLN A 13 ? 28.90497 -4.67435 16.74611 1.000 7.66354 C ? A ? 12 C 1
   ATOM 104 O . GLN A 13 ? 29.42015 -3.53948 16.70712 1.000 9.21718 O ? A ? 12 O 1
   ATOM 105 CB . GLN A 13 ? 30.32100 -6.70456 16.95800 1.000 8.45871 C ? A ? 12 CB 1
   ATOM 106 CG . GLN A 13 ? 31.11639 -7.60021 17.92156 1.000 9.09254 C ? A ? 12 CG 1
   ATOM 107 CD . GLN A 13 ? 31.89239 -8.70802 17.23703 1.000 9.93624 C ? A ? 12 CD 1
   ATOM 108 OE1 . GLN A 13 ? 31.63927 -9.05708 16.09018 1.000 12.47898 O ? A ? 12 OE1 1
   ATOM 109 NE2 . GLN A 13 ? 32.81835 -9.27703 17.96682 1.000 11.46793 N ? A ? 12 NE2 1
   ATOM 110 N . ALA A 14 ? 27.89322 -5.02432 15.95599 1.000 8.86021 N ? A ? 13 N 1
   ATOM 111 CA . ALA A 14 ? 27.32094 -4.06245 15.02501 1.000 7.55526 C ? A ? 13 CA 1
   ATOM 112 C . ALA A 14 ? 26.76505 -2.83478 15.75109 1.000 6.78769 C ? A ? 13 C 1
   ATOM 113 O . ALA A 14 ? 26.92604 -1.68334 15.32038 1.000 8.19522 O ? A ? 13 O 1
   ATOM 114 CB . ALA A 14 ? 26.23098 -4.70929 14.16195 1.000 9.27775 C ? A ? 13 CB 1
   ATOM 115 N . GLY A 15 ? 26.02039 -3.06722 16.82174 1.000 7.83794 N ? A ? 14 N 1
   ATOM 116 CA . GLY A 15 ? 25.46923 -1.95582 17.57930 1.000 7.63554 C ? A ? 14 CA 1
   ATOM 117 C . GLY A 15 ? 26.53945 -1.01900 18.12242 1.000 6.54029 C ? A ? 14 C 1
   ATOM 118 O . GLY A 15 ? 26.43956 0.21151 18.02120 1.000 7.43861 O ? A ? 14 O 1
   ATOM 119 N . TYR A 16 ? 27.60055 -1.60856 18.71548 1.000 7.85452 N ? A ? 15 N 1
   ATOM 120 CA . TYR A 16 ? 28.66574 -0.75731 19.27286 1.000 6.99998 C ? A ? 15 CA 1
   ATOM 121 C . TYR A 16 ? 29.38772 0.01663 18.15046 1.000 6.42154 C ? A ? 15 C 1
   ATOM 122 O . TYR A 16 ? 29.64023 1.20589 18.26894 1.000 7.63634 O ? A ? 15 O 1
   ATOM 123 CB . TYR A 16 ? 29.66308 -1.66186 20.01977 1.000 8.18159 C ? A ? 15 CB 1
   ATOM 124 CG . TYR A 16 ? 29.10830 -2.33543 21.25775 1.000 7.01011 C ? A ? 15 CG 1
   ATOM 125 CD1 . TYR A 16 ? 28.44888 -1.61074 22.22222 1.000 7.83745 C ? A ? 15 CD1 1
   ATOM 126 CD2 . TYR A 16 ? 29.24113 -3.66403 21.44216 1.000 6.72464 C ? A ? 15 CD2 1
   ATOM 127 CE1 . TYR A 16 ? 27.92380 -2.22680 23.34532 1.000 7.22935 C ? A ? 15 CE1 1
   ATOM 128 CE2 . TYR A 16 ? 28.73659 -4.26945 22.55158 1.000 8.90117 C ? A ? 15 CE2 1
   ATOM 129 CZ . TYR A 16 ? 28.06345 -3.56458 23.49290 1.000 7.35388 C ? A ? 15 CZ 1
   ATOM 130 OH . TYR A 16 ? 27.52341 -4.24740 24.57365 1.000 9.37108 O ? A ? 15 OH 1
   ATOM 131 N . ALA A 17 ? 29.69226 -0.68464 17.04946 1.000 8.14805 N ? A ? 16 N 1
   ATOM 132 CA . ALA A 17 ? 30.37695 -0.05098 15.91927 1.000 8.31568 C ? A ? 16 CA 1
   ATOM 133 C . ALA A 17 ? 29.55640 1.11581 15.37065 1.000 8.15095 C ? A ? 16 C 1
   ATOM 134 O . ALA A 17 ? 30.08029 2.19846 15.04191 1.000 8.51935 O ? A ? 16 O 1
   ATOM 135 CB . ALA A 17 ? 30.65118 -1.09146 14.82957 1.000 9.29249 C ? A ? 16 CB 1
   ATOM 136 N . PHE A 18 ? 28.24614 0.90051 15.25008 1.000 7.74330 N ? A ? 17 N 1
   ATOM 137 CA . PHE A 18 ? 27.42378 1.94517 14.64519 1.000 7.29749 C ? A ? 17 CA 1
   ATOM 138 C . PHE A 18 ? 27.22833 3.11862 15.59301 1.000 6.69878 C ? A ? 17 C 1
   ATOM 139 O . PHE A 18 ? 27.25129 4.28866 15.18215 1.000 7.36185 O ? A ? 17 O 1
   ATOM 140 CB . PHE A 18 ? 26.08384 1.40206 14.14451 1.000 8.35135 C ? A ? 17 CB 1
   ATOM 141 CG . PHE A 18 ? 25.53406 2.20883 13.01811 1.000 7.76788 C ? A ? 17 CG 1
   ATOM 142 CD1 . PHE A 18 ? 26.10408 2.11944 11.74124 1.000 8.53492 C ? A ? 17 CD1 1
   ATOM 143 CD2 . PHE A 18 ? 24.47060 3.07383 13.22005 1.000 7.68031 C ? A ? 17 CD2 1
   ATOM 144 CE1 . PHE A 18 ? 25.62100 2.91032 10.70453 1.000 8.92681 C ? A ? 17 CE1 1
   ATOM 145 CE2 . PHE A 18 ? 23.97716 3.83318 12.17743 1.000 9.03315 C ? A ? 17 CE2 1
   ATOM 146 CZ . PHE A 18 ? 24.56973 3.78644 10.92171 1.000 8.74874 C ? A ? 17 CZ 1
   ATOM 147 N . MET A 19 ? 27.11010 2.83032 16.90341 1.000 8.19441 N ? A ? 18 N 1
   ATOM 148 CA . MET A 19 ? 27.13554 3.91870 17.89147 1.000 8.41952 C ? A ? 18 CA 1
   ATOM 149 C . MET A 19 ? 28.42286 4.69425 17.81844 1.000 6.41335 C ? A ? 18 C 1
   ATOM 150 O . MET A 19 ? 28.39533 5.92690 17.86005 1.000 7.64329 O ? A ? 18 O 1
   ATOM 151 CB . MET A 19 ? 26.99659 3.39350 19.32396 1.000 9.68299 C ? A ? 18 CB 1
   ATOM 152 CG . MET A 19 ? 25.58716 3.04150 19.74172 1.000 10.24118 C ? A ? 18 CG 1
   ATOM 153 SD . MET A 19 ? 25.38144 2.89400 21.52471 1.000 9.34997 S ? A ? 18 SD 1
   ATOM 154 CE . MET A 19 ? 26.43837 1.49167 21.89314 1.000 9.37984 C ? A ? 18 CE 1
   ATOM 155 N . ALA A 20 ? 29.55463 3.98908 17.68243 1.000 7.96864 N ? A ? 19 N 1
   ATOM 156 CA . ALA A 20 ? 30.83688 4.69176 17.65967 1.000 8.49741 C ? A ? 19 CA 1
   ATOM 157 C . ALA A 20 ? 30.92241 5.65164 16.48568 1.000 7.26431 C ? A ? 19 C 1
   ATOM 158 O . ALA A 20 ? 31.41598 6.78230 16.63193 1.000 8.70846 O ? A ? 19 O 1
   ATOM 159 CB . ALA A 20 ? 31.98183 3.68361 17.62364 1.000 9.28946 C ? A ? 19 CB 1
   ATOM 160 N . TRP A 21 ? 30.44536 5.22496 15.30914 1.000 8.44900 N ? A ? 20 N 1
   ATOM 161 CA . TRP A 21 ? 30.46995 6.10684 14.15170 1.000 6.85765 C ? A ? 20 CA 1
   ATOM 162 C . TRP A 21 ? 29.69348 7.38318 14.44843 1.000 7.10111 C ? A ? 20 C 1
   ATOM 163 O . TRP A 21 ? 30.12298 8.50934 14.13809 1.000 7.80955 O ? A ? 20 O 1
   ATOM 164 CB . TRP A 21 ? 29.88064 5.35873 12.94193 1.000 8.75142 C ? A ? 20 CB 1
   ATOM 165 CG . TRP A 21 ? 29.87841 6.20372 11.69736 1.000 7.77718 C ? A ? 20 CG 1
   ATOM 166 CD1 . TRP A 21 ? 30.95176 6.86982 11.14682 1.000 9.10303 C ? A ? 20 CD1 1
   ATOM 167 CD2 . TRP A 21 ? 28.75037 6.51220 10.87957 1.000 8.63397 C ? A ? 20 CD2 1
   ATOM 168 NE1 . TRP A 21 ? 30.54318 7.55360 10.03037 1.000 11.27413 N ? A ? 20 NE1 1
   ATOM 169 CE2 . TRP A 21 ? 29.20913 7.31454 9.82187 1.000 9.98341 C ? A ? 20 CE2 1
   ATOM 170 CE3 . TRP A 21 ? 27.39217 6.15423 10.91908 1.000 9.69949 C ? A ? 20 CE3 1
   ATOM 171 CZ2 . TRP A 21 ? 28.35486 7.80155 8.82693 1.000 13.29044 C ? A ? 20 CZ2 1
   ATOM 172 CZ3 . TRP A 21 ? 26.54412 6.60819 9.92032 1.000 11.95709 C ? A ? 20 CZ3 1
   ATOM 173 CH2 . TRP A 21 ? 27.02127 7.44131 8.89340 1.000 13.48145 C ? A ? 20 CH2 1
   ATOM 174 N . ASN A 22 ? 28.52448 7.26320 15.05865 1.000 7.54758 N ? A ? 21 N 1
   ATOM 175 CA . ASN A 22 ? 27.70587 8.43501 15.36941 1.000 7.14157 C ? A ? 21 CA 1
   ATOM 176 C . ASN A 22 ? 28.30697 9.28867 16.47779 1.000 7.33067 C ? A ? 21 C 1
   ATOM 177 O . ASN A 22 ? 28.21647 10.51656 16.42532 1.000 8.03863 O ? A ? 21 O 1
   ATOM 178 CB . ASN A 22 ? 26.28076 7.93426 15.65401 1.000 7.90594 C ? A ? 21 CB 1
   ATOM 179 CG . ASN A 22 ? 25.56378 7.62455 14.34328 1.000 7.28970 C ? A ? 21 CG 1
   ATOM 180 OD1 . ASN A 22 ? 25.05376 8.56703 13.68133 1.000 8.84934 O ? A ? 21 OD1 1
   ATOM 181 ND2 . ASN A 22 ? 25.59772 6.38718 13.92394 1.000 8.12360 N ? A ? 21 ND2 1
   ATOM 182 N . MET A 23 ? 28.94835 8.65337 17.46996 1.000 8.48035 N ? A ? 22 N 1
   ATOM 183 CA . MET A 23 ? 29.68387 9.45600 18.45928 1.000 8.38077 C ? A ? 22 CA 1
   ATOM 184 C . MET A 23 ? 30.73018 10.33388 17.78346 1.000 7.36108 C ? A ? 22 C 1
   ATOM 185 O . MET A 23 ? 30.90711 11.50394 18.12693 1.000 8.35144 O ? A ? 22 O 1
   ATOM 186 CB . MET A 23 ? 30.33932 8.55920 19.50772 1.000 8.32732 C ? A ? 22 CB 1
   ATOM 187 CG . MET A 23 ? 29.34060 7.91729 20.45073 1.000 10.24452 C ? A ? 22 CG 1
   ATOM 188 SD . MET A 23 ? 28.54829 8.98125 21.58441 1.000 11.38605 S ? A ? 22 SD 1
   ATOM 189 CE . MET A 23 ? 29.88433 9.23145 22.81141 1.000 11.32012 C ? A ? 22 CE 1
   ATOM 190 N . GLY A 24 ? 31.44970 9.76482 16.82807 1.000 8.71207 N ? A ? 23 N 1
   ATOM 191 CA . GLY A 24 ? 32.46582 10.54529 16.12600 1.000 8.46534 C ? A ? 23 CA 1
   ATOM 192 C . GLY A 24 ? 31.90120 11.73713 15.38029 1.000 9.09388 C ? A ? 23 C 1
   ATOM 193 O . GLY A 24 ? 32.52867 12.80427 15.30690 1.000 10.21056 O ? A ? 23 O 1
   ATOM 194 N A LYS A 25 ? 30.69123 11.58669 14.81878 0.351 9.13262 N ? A ? 24 N 1
   ATOM 195 CA A LYS A 25 ? 29.99302 12.71912 14.21311 0.351 10.04607 C ? A ? 24 CA 1
   ATOM 196 C A LYS A 25 ? 29.79270 13.82299 15.22842 0.351 9.07973 C ? A ? 24 C 1
   ATOM 197 O A LYS A 25 ? 30.09482 14.99772 14.96000 0.351 9.40994 O ? A ? 24 O 1
   ATOM 198 CB A LYS A 25 ? 28.61856 12.28954 13.69879 0.351 9.65379 C ? A ? 24 CB 1
   ATOM 199 CG A LYS A 25 ? 28.66811 11.44356 12.46588 0.351 8.33647 C ? A ? 24 CG 1
   ATOM 200 CD A LYS A 25 ? 27.29856 10.87604 12.14362 0.351 9.33676 C ? A ? 24 CD 1
   ATOM 201 CE A LYS A 25 ? 27.31345 10.27586 10.78815 0.351 10.66358 C ? A ? 24 CE 1
   ATOM 202 NZ A LYS A 25 ? 27.93036 11.23415 9.86087 0.351 18.23873 N ? A ? 24 NZ 1
   ATOM 203 N B LYS A 25 ? 30.66852 11.62546 14.87963 0.649 9.45870 N ? A ? 24 N 1
   ATOM 204 CA B LYS A 25 ? 30.05067 12.74850 14.19179 0.649 10.04143 C ? A ? 24 CA 1
   ATOM 205 C B LYS A 25 ? 29.65928 13.83967 15.18163 0.649 9.13010 C ? A ? 24 C 1
   ATOM 206 O B LYS A 25 ? 29.75922 15.03288 14.86908 0.649 8.60086 O ? A ? 24 O 1
   ATOM 207 CB B LYS A 25 ? 28.87124 12.25981 13.34539 0.649 10.37066 C ? A ? 24 CB 1
   ATOM 208 CG B LYS A 25 ? 29.29619 11.28011 12.23785 0.649 10.02768 C ? A ? 24 CG 1
   ATOM 209 CD B LYS A 25 ? 28.19101 11.06288 11.22607 0.649 13.44911 C ? A ? 24 CD 1
   ATOM 210 CE B LYS A 25 ? 27.14927 10.12632 11.75156 0.649 13.44518 C ? A ? 24 CE 1
   ATOM 211 NZ B LYS A 25 ? 26.04867 10.11273 10.78867 0.649 18.46568 N ? A ? 24 NZ 1
   ATOM 212 N . ILE A 26 ? 29.23565 13.46777 16.38921 1.000 9.43669 N ? A ? 25 N 1
   ATOM 213 CA . ILE A 26 ? 28.97884 14.47998 17.39463 1.000 10.58116 C ? A ? 25 CA 1
   ATOM 214 C . ILE A 26 ? 30.27012 15.16166 17.78009 1.000 7.66221 C ? A ? 25 C 1
   ATOM 215 O . ILE A 26 ? 30.32250 16.39794 17.84762 1.000 9.53531 O ? A ? 25 O 1
   ATOM 216 CB . ILE A 26 ? 28.24440 13.89963 18.61770 1.000 9.50268 C ? A ? 25 CB 1
   ATOM 217 CG1 . ILE A 26 ? 26.90272 13.25825 18.17647 1.000 9.41805 C ? A ? 25 CG1 1
   ATOM 218 CG2 . ILE A 26 ? 28.04688 14.98634 19.65950 1.000 10.09181 C ? A ? 25 CG2 1
   ATOM 219 CD1 . ILE A 26 ? 26.18700 12.51141 19.28798 1.000 11.59341 C ? A ? 25 CD1 1
   ATOM 220 N . LYS A 27 ? 31.34677 14.38265 17.99690 1.000 9.80756 N ? A ? 26 N 1
   ATOM 221 CA . LYS A 27 ? 32.63363 14.99251 18.30621 1.000 9.74959 C ? A ? 26 CA 1
   ATOM 222 C . LYS A 27 ? 33.05597 15.96869 17.22108 1.000 11.41552 C ? A ? 26 C 1
   ATOM 223 O . LYS A 27 ? 33.53329 17.07585 17.51551 1.000 11.99990 O ? A ? 26 O 1
   ATOM 224 CB . LYS A 27 ? 33.66976 13.89810 18.46789 1.000 10.87798 C ? A ? 26 CB 1
   ATOM 225 CG . LYS A 27 ? 35.00927 14.43082 18.89041 1.000 14.54214 C ? A ? 26 CG 1
   ATOM 226 CD . LYS A 27 ? 36.07599 13.35010 18.90090 1.000 29.04126 C ? A ? 26 CD 1
   ATOM 227 CE . LYS A 27 ? 37.32870 13.84085 19.57902 1.000 48.37808 C ? A ? 26 CE 1
   ATOM 228 NZ . LYS A 27 ? 38.54752 13.53623 18.78267 1.000 58.32060 N ? A ? 26 NZ 1
   ATOM 229 N . ALA A 28 ? 32.88502 15.60645 15.96769 1.000 10.83368 N ? A ? 27 N 1
   ATOM 230 CA . ALA A 28 ? 33.31294 16.51733 14.90598 1.000 10.51313 C ? A ? 27 CA 1
   ATOM 231 C . ALA A 28 ? 32.50875 17.81689 14.93210 1.000 11.91928 C ? A ? 27 C 1
   ATOM 232 O . ALA A 28 ? 33.04830 18.90670 14.63791 1.000 12.73998 O ? A ? 27 O 1
   ATOM 233 CB . ALA A 28 ? 33.11281 15.81763 13.56278 1.000 12.30264 C ? A ? 27 CB 1
   ATOM 234 N . ASN A 29 ? 31.21380 17.74120 15.26556 1.000 10.05027 N ? A ? 28 N 1
   ATOM 235 CA . ASN A 29 ? 30.41110 18.95320 15.35837 1.000 11.27173 C ? A ? 28 CA 1
   ATOM 236 C . ASN A 29 ? 30.84735 19.80266 16.54306 1.000 11.68201 C ? A ? 28 C 1
   ATOM 237 O . ASN A 29 ? 30.91872 21.03919 16.45042 1.000 12.66913 O ? A ? 28 O 1
   ATOM 238 CB . ASN A 29 ? 28.93709 18.55518 15.47940 1.000 11.79613 C ? A ? 28 CB 1
   ATOM 239 CG . ASN A 29 ? 28.29396 18.29796 14.14213 1.000 11.43634 C ? A ? 28 CG 1
   ATOM 240 OD1 . ASN A 29 ? 27.68910 19.19587 13.56691 1.000 13.33854 O ? A ? 28 OD1 1
   ATOM 241 ND2 . ASN A 29 ? 28.41910 17.09906 13.62229 1.000 12.38550 N ? A ? 28 ND2 1
   ATOM 242 N . LEU A 30 ? 31.16960 19.15262 17.66040 1.000 11.65043 N ? A ? 29 N 1
   ATOM 243 CA . LEU A 30 ? 31.63089 19.88393 18.83412 1.000 12.78454 C ? A ? 29 CA 1
   ATOM 244 C . LEU A 30 ? 33.00805 20.49053 18.61123 1.000 12.86569 C ? A ? 29 C 1
   ATOM 245 O . LEU A 30 ? 33.27878 21.56372 19.16890 1.000 18.27184 O ? A ? 29 O 1
   ATOM 246 CB . LEU A 30 ? 31.62649 18.96482 20.06382 1.000 12.50842 C ? A ? 29 CB 1
   ATOM 247 CG . LEU A 30 ? 30.25568 18.57042 20.61736 1.000 11.54234 C ? A ? 29 CG 1
   ATOM 248 CD1 . LEU A 30 ? 30.37299 17.42730 21.61022 1.000 13.73158 C ? A ? 29 CD1 1
   ATOM 249 CD2 . LEU A 30 ? 29.56725 19.73758 21.25322 1.000 12.92026 C ? A ? 29 CD2 1
   ATOM 250 N . GLU A 31 ? 33.86437 19.89875 17.78401 1.000 14.09836 N ? A ? 30 N 1
   ATOM 251 CA . GLU A 31 ? 35.21160 20.43177 17.56298 1.000 16.80655 C ? A ? 30 CA 1
   ATOM 252 C . GLU A 31 ? 35.32823 21.27869 16.31103 1.000 19.80967 C ? A ? 30 C 1
   ATOM 253 O . GLU A 31 ? 36.39613 21.85399 16.07381 1.000 24.26207 O ? A ? 30 O 1
   ATOM 254 CB . GLU A 31 ? 36.22032 19.28798 17.43250 1.000 22.70153 C ? A ? 30 CB 1
   ATOM 255 CG . GLU A 31 ? 36.32075 18.41850 18.66213 1.000 22.45790 C ? A ? 30 CG 1
   ATOM 256 CD . GLU A 31 ? 36.91414 19.15357 19.84708 1.000 42.17684 C ? A ? 30 CD 1
   ATOM 257 OE1 . GLU A 31 ? 37.75750 20.05515 19.62815 1.000 47.67976 O ? A ? 30 OE1 1
   ATOM 258 OE2 . GLU A 31 ? 36.53509 18.82892 20.99251 1.000 34.97692 O ? A ? 30 OE2 1
   ATOM 259 N A GLY A 32 ? 34.29184 21.32493 15.48249 0.017 16.86219 N ? A ? 31 N 1
   ATOM 260 CA A GLY A 32 ? 34.34841 22.06746 14.24170 0.017 21.13748 C ? A ? 31 CA 1
   ATOM 261 C A GLY A 32 ? 33.13546 22.95006 14.05705 0.017 17.22100 C ? A ? 31 C 1
   ATOM 262 O A GLY A 32 ? 32.76897 23.70433 14.95794 0.017 18.69162 O ? A ? 31 O 1
   ATOM 263 N B GLY A 32 ? 34.26719 21.40002 15.52610 0.983 17.83666 N ? A ? 31 N 1
   ATOM 264 CA B GLY A 32 ? 34.35300 22.07573 14.24751 0.983 21.29765 C ? A ? 31 CA 1
   ATOM 265 C B GLY A 32 ? 33.13522 22.94152 14.05339 0.983 17.85717 C ? A ? 31 C 1
   ATOM 266 O B GLY A 32 ? 32.73857 23.65567 14.97192 0.983 19.30223 O ? A ? 31 O 1
   ATOM 267 N . GLU A 33 ? 32.50145 22.86730 12.89269 1.000 19.75101 N ? A ? 32 N 1
   ATOM 268 CA . GLU A 33 ? 31.30342 23.65247 12.61362 1.000 41.02430 C ? A ? 32 CA 1
   ATOM 269 C . GLU A 33 ? 30.10953 22.88050 13.15598 1.000 20.79767 C ? A ? 32 C 1
   ATOM 270 O . GLU A 33 ? 29.77761 21.80756 12.65214 1.000 30.27987 O ? A ? 32 O 1
   ATOM 271 CB . GLU A 33 ? 31.17073 23.92121 11.11680 1.000 91.74964 C ? A ? 32 CB 1
   ATOM 272 CG . GLU A 33 ? 31.42832 22.70420 10.25327 1.000 140.40632 C ? A ? 32 CG 1
   ATOM 273 CD . GLU A 33 ? 31.59670 23.06326 8.80315 1.000 173.45563 C ? A ? 32 CD 1
   ATOM 274 OE1 . GLU A 33 ? 30.94793 24.04125 8.37263 1.000 189.83113 O ? A ? 32 OE1 1
   ATOM 275 OE2 . GLU A 33 ? 32.37495 22.38479 8.10297 1.000 177.55772 O ? A ? 32 OE2 1
   ATOM 276 N . TYR A 34 ? 29.48838 23.40087 14.20353 1.000 16.77279 N ? A ? 33 N 1
   ATOM 277 CA . TYR A 34 ? 28.40518 22.69255 14.87929 1.000 16.49244 C ? A ? 33 CA 1
   ATOM 278 C . TYR A 34 ? 27.10398 22.81048 14.09656 1.000 13.16891 C ? A ? 33 C 1
   ATOM 279 O . TYR A 34 ? 26.66317 23.92091 13.77544 1.000 15.63738 O ? A ? 33 O 1
   ATOM 280 CB . TYR A 34 ? 28.19374 23.32448 16.24248 1.000 15.21707 C ? A ? 33 CB 1
   ATOM 281 CG . TYR A 34 ? 27.24796 22.57786 17.15794 1.000 14.12307 C ? A ? 33 CG 1
   ATOM 282 CD1 . TYR A 34 ? 27.70513 21.54694 17.97164 1.000 13.75966 C ? A ? 33 CD1 1
   ATOM 283 CD2 . TYR A 34 ? 25.90375 22.92278 17.22656 1.000 13.82956 C ? A ? 33 CD2 1
   ATOM 284 CE1 . TYR A 34 ? 26.84234 20.89673 18.83730 1.000 12.63220 C ? A ? 33 CE1 1
   ATOM 285 CE2 . TYR A 34 ? 25.02701 22.27471 18.07584 1.000 14.18708 C ? A ? 33 CE2 1
   ATOM 286 CZ . TYR A 34 ? 25.50929 21.24269 18.88365 1.000 12.38216 C ? A ? 33 CZ 1
   ATOM 287 OH . TYR A 34 ? 24.67677 20.60976 19.75299 1.000 13.19228 O ? A ? 33 OH 1
   ATOM 288 N . ASN A 35 ? 26.46288 21.68525 13.83900 1.000 12.91080 N ? A ? 34 N 1
   ATOM 289 CA . ASN A 35 ? 25.20299 21.64745 13.11135 1.000 11.74343 C ? A ? 34 CA 1
   ATOM 290 C . ASN A 35 ? 24.19417 20.91241 13.96227 1.000 11.21513 C ? A ? 34 C 1
   ATOM 291 O . ASN A 35 ? 24.34400 19.70932 14.20076 1.000 10.85236 O ? A ? 34 O 1
   ATOM 292 CB . ASN A 35 ? 25.38474 20.95400 11.77321 1.000 13.19977 C ? A ? 34 CB 1
   ATOM 293 CG . ASN A 35 ? 24.11395 20.95470 10.96100 1.000 12.94172 C ? A ? 34 CG 1
   ATOM 294 OD1 . ASN A 35 ? 23.18920 20.20328 11.20472 1.000 12.53465 O ? A ? 34 OD1 1
   ATOM 295 ND2 . ASN A 35 ? 24.03002 21.91104 10.03283 1.000 15.33130 N ? A ? 34 ND2 1
   ATOM 296 N . ALA A 36 ? 23.17713 21.61630 14.44481 1.000 11.27987 N ? A ? 35 N 1
   ATOM 297 CA . ALA A 36 ? 22.23766 21.03630 15.39573 1.000 11.14289 C ? A ? 35 CA 1
   ATOM 298 C . ALA A 36 ? 21.49922 19.83571 14.81056 1.000 9.76520 C ? A ? 35 C 1
   ATOM 299 O . ALA A 36 ? 21.24371 18.85232 15.51704 1.000 10.91252 O ? A ? 35 O 1
   ATOM 300 CB . ALA A 36 ? 21.26596 22.12156 15.89836 1.000 12.41298 C ? A ? 35 CB 1
   ATOM 301 N . ASP A 37 ? 21.15306 19.89219 13.52935 1.000 10.95567 N ? A ? 36 N 1
   ATOM 302 CA . ASP A 37 ? 20.46109 18.76067 12.92762 1.000 10.07541 C ? A ? 36 CA 1
   ATOM 303 C . ASP A 37 ? 21.36814 17.53787 12.79485 1.000 10.73623 C ? A ? 36 C 1
   ATOM 304 O . ASP A 37 ? 20.92057 16.39633 13.00462 1.000 11.50051 O ? A ? 36 O 1
   ATOM 305 CB . ASP A 37 ? 19.92987 19.14279 11.56061 1.000 11.98150 C ? A ? 36 CB 1
   ATOM 306 CG . ASP A 37 ? 18.69151 19.96925 11.64266 1.000 11.94607 C ? A ? 36 CG 1
   ATOM 307 OD1 . ASP A 37 ? 18.05543 20.08427 12.71809 1.000 12.84941 O ? A ? 36 OD1 1
   ATOM 308 OD2 . ASP A 37 ? 18.33615 20.56354 10.59637 1.000 14.46934 O ? A ? 36 OD2 1
   ATOM 309 N . GLN A 38 ? 22.63158 17.73731 12.42988 1.000 10.07296 N ? A ? 37 N 1
   ATOM 310 CA . GLN A 38 ? 23.54742 16.58998 12.39566 1.000 11.35189 C ? A ? 37 CA 1
   ATOM 311 C . GLN A 38 ? 23.66476 15.96981 13.76946 1.000 8.99751 C ? A ? 37 C 1
   ATOM 312 O . GLN A 38 ? 23.70543 14.73418 13.90199 1.000 8.87062 O ? A ? 37 O 1
   ATOM 313 CB . GLN A 38 ? 24.93548 17.02011 11.93632 1.000 12.48739 C ? A ? 37 CB 1
   ATOM 314 CG . GLN A 38 ? 25.06286 17.33054 10.48618 1.000 13.52505 C ? A ? 37 CG 1
   ATOM 315 CD . GLN A 38 ? 26.46830 17.74217 10.11828 1.000 15.30513 C ? A ? 37 CD 1
   ATOM 316 OE1 . GLN A 38 ? 27.44559 17.30916 10.72376 1.000 19.76178 O ? A ? 37 OE1 1
   ATOM 317 NE2 . GLN A 38 ? 26.57877 18.59370 9.12629 1.000 18.71137 N ? A ? 37 NE2 1
   ATOM 318 N . VAL A 39 ? 23.75123 16.80479 14.78664 1.000 9.15154 N ? A ? 38 N 1
   ATOM 319 CA . VAL A 39 ? 23.83628 16.32716 16.15528 1.000 9.26905 C ? A ? 38 CA 1
   ATOM 320 C . VAL A 39 ? 22.57012 15.54812 16.53202 1.000 9.04438 C ? A ? 38 C 1
   ATOM 321 O . VAL A 39 ? 22.65981 14.47478 17.14590 1.000 9.18141 O ? A ? 38 O 1
   ATOM 322 CB . VAL A 39 ? 24.15012 17.49727 17.09496 1.000 9.48254 C ? A ? 38 CB 1
   ATOM 323 CG1 . VAL A 39 ? 24.08357 17.05295 18.55807 1.000 12.39532 C ? A ? 38 CG1 1
   ATOM 324 CG2 . VAL A 39 ? 25.55162 18.01342 16.81883 1.000 11.78040 C ? A ? 38 CG2 1
   ATOM 325 N . ARG A 40 ? 21.37518 16.04187 16.15404 1.000 8.84589 N ? A ? 39 N 1
   ATOM 326 CA . ARG A 40 ? 20.13666 15.30129 16.43953 1.000 9.67496 C ? A ? 39 CA 1
   ATOM 327 C . ARG A 40 ? 20.17641 13.91436 15.81507 1.000 9.49174 C ? A ? 39 C 1
   ATOM 328 O . ARG A 40 ? 19.85687 12.92081 16.45688 1.000 9.61174 O ? A ? 39 O 1
   ATOM 329 CB . ARG A 40 ? 18.88501 15.98814 15.87203 1.000 9.80092 C ? A ? 39 CB 1
   ATOM 330 CG . ARG A 40 ? 18.50648 17.25087 16.55810 1.000 12.18107 C ? A ? 39 CG 1
   ATOM 331 CD . ARG A 40 ? 17.37039 18.00507 15.82734 1.000 12.53316 C ? A ? 39 CD 1
   ATOM 332 NE . ARG A 40 ? 16.88226 19.09957 16.63052 1.000 15.25529 N ? A ? 39 NE 1
   ATOM 333 CZ . ARG A 40 ? 17.28465 20.34843 16.54238 1.000 14.87230 C ? A ? 39 CZ 1
   ATOM 334 NH1 . ARG A 40 ? 17.98755 20.79375 15.50451 1.000 14.84596 N ? A ? 39 NH1 1
   ATOM 335 NH2 . ARG A 40 ? 16.95380 21.18515 17.51897 1.000 15.75693 N ? A ? 39 NH2 1
   ATOM 336 N . ALA A 41 ? 20.55499 13.83633 14.53538 1.000 8.64687 N ? A ? 40 N 1
   ATOM 337 CA . ALA A 41 ? 20.52245 12.52336 13.88565 1.000 8.36131 C ? A ? 40 CA 1
   ATOM 338 C . ALA A 41 ? 21.49291 11.55243 14.55681 1.000 7.58118 C ? A ? 40 C 1
   ATOM 339 O . ALA A 41 ? 21.18046 10.37013 14.74018 1.000 8.42489 O ? A ? 40 O 1
   ATOM 340 CB . ALA A 41 ? 20.87574 12.67569 12.40187 1.000 9.90877 C ? A ? 40 CB 1
   ATOM 341 N A ALA A 42 ? 22.69810 12.01437 14.88181 1.000 8.00360 N ? A ? 41 N 1
   ATOM 342 CA A ALA A 42 ? 23.67454 11.13052 15.50586 1.000 7.97137 C ? A ? 41 CA 1
   ATOM 343 C A ALA A 42 ? 23.26075 10.76702 16.92443 1.000 5.97982 C ? A ? 41 C 1
   ATOM 344 O A ALA A 42 ? 23.38558 9.60057 17.31942 1.000 7.47164 O ? A ? 41 O 1
   ATOM 345 CB A ALA A 42 ? 25.03010 11.82530 15.47550 1.000 9.09502 C ? A ? 41 CB 1
   ATOM 346 N C ALA A 42 ? 22.69969 12.02508 14.88213 0.000 8.20091 N ? A ? 41 N 1
   ATOM 347 CA C ALA A 42 ? 23.70673 11.13594 15.45284 0.000 7.82373 C ? A ? 41 CA 1
   ATOM 348 C C ALA A 42 ? 23.37202 10.77487 16.89352 0.000 6.18900 C ? A ? 41 C 1
   ATOM 349 O C ALA A 42 ? 23.60996 9.64142 17.32705 0.000 7.45083 O ? A ? 41 O 1
   ATOM 350 CB C ALA A 42 ? 25.09112 11.77742 15.35689 0.000 9.07341 C ? A ? 41 CB 1
   ATOM 351 N A ALA A 43 ? 22.80103 11.76696 17.69787 1.000 7.55138 N ? A ? 42 N 1
   ATOM 352 CA A ALA A 43 ? 22.35472 11.50013 19.06625 1.000 7.75288 C ? A ? 42 CA 1
   ATOM 353 C A ALA A 43 ? 21.19660 10.49887 19.09810 1.000 7.43665 C ? A ? 42 C 1
   ATOM 354 O A ALA A 43 ? 21.11346 9.62638 19.97782 1.000 7.70958 O ? A ? 42 O 1
   ATOM 355 CB A ALA A 43 ? 21.95687 12.80748 19.75536 1.000 8.49909 C ? A ? 42 CB 1
   ATOM 356 N C ALA A 43 ? 22.81628 11.72482 17.64916 0.000 7.51661 N ? A ? 42 N 1
   ATOM 357 CA C ALA A 43 ? 22.41720 11.43587 19.02136 0.000 7.74612 C ? A ? 42 CA 1
   ATOM 358 C C ALA A 43 ? 21.22112 10.49546 19.07047 0.000 7.41194 C ? A ? 42 C 1
   ATOM 359 O C ALA A 43 ? 21.11281 9.68141 19.99472 0.000 7.84923 O ? A ? 42 O 1
   ATOM 360 CB C ALA A 43 ? 22.11525 12.73264 19.77248 0.000 8.38785 C ? A ? 42 CB 1
   ATOM 361 N A ASN A 44 ? 20.31123 10.59298 18.09942 1.000 7.80782 N ? A ? 43 N 1
   ATOM 362 CA A ASN A 44 ? 19.17960 9.67087 18.04568 1.000 7.37418 C ? A ? 43 CA 1
   ATOM 363 C A ASN A 44 ? 19.65663 8.24980 17.84013 1.000 7.74925 C ? A ? 43 C 1
   ATOM 364 O A ASN A 44 ? 19.09381 7.32369 18.41432 1.000 7.76860 O ? A ? 43 O 1
   ATOM 365 CB A ASN A 44 ? 18.15931 10.04296 16.99501 1.000 9.10016 C ? A ? 43 CB 1
   ATOM 366 CG A ASN A 44 ? 17.39108 11.27492 17.37588 1.000 9.03826 C ? A ? 43 CG 1
   ATOM 367 OD1 A ASN A 44 ? 17.39074 11.68057 18.54121 1.000 9.59250 O ? A ? 43 OD1 1
   ATOM 368 ND2 A ASN A 44 ? 16.69514 11.85912 16.40443 1.000 11.64901 N ? A ? 43 ND2 1
   ATOM 369 N C ASN A 44 ? 20.31680 10.58971 18.09156 0.000 7.86173 N ? A ? 43 N 1
   ATOM 370 CA C ASN A 44 ? 19.18876 9.66623 18.04660 0.000 7.57676 C ? A ? 43 CA 1
   ATOM 371 C C ASN A 44 ? 19.64036 8.23513 17.80185 0.000 7.77146 C ? A ? 43 C 1
   ATOM 372 O C ASN A 44 ? 19.01069 7.29756 18.30314 0.000 7.82123 O ? A ? 43 O 1
   ATOM 373 CB C ASN A 44 ? 18.17280 10.10226 16.99058 0.000 9.15697 C ? A ? 43 CB 1
   ATOM 374 CG C ASN A 44 ? 17.37812 11.31988 17.41295 0.000 8.90831 C ? A ? 43 CG 1
   ATOM 375 OD1 C ASN A 44 ? 17.24004 11.60312 18.60395 0.000 9.65121 O ? A ? 43 OD1 1
   ATOM 376 ND2 C ASN A 44 ? 16.84527 12.04577 16.43787 0.000 11.55164 N ? A ? 43 ND2 1
   ATOM 377 N . VAL A 45 ? 20.71658 8.03912 17.03952 1.000 7.60000 N ? A ? 44 N 1
   ATOM 378 CA . VAL A 45 ? 21.26750 6.69572 16.89876 1.000 7.01968 C ? A ? 44 CA 1
   ATOM 379 C . VAL A 45 ? 21.82311 6.21228 18.22887 1.000 6.99778 C ? A ? 44 C 1
   ATOM 380 O . VAL A 45 ? 21.57577 5.06947 18.62604 1.000 7.34912 O ? A ? 44 O 1
   ATOM 381 CB . VAL A 45 ? 22.36243 6.65827 15.82102 1.000 8.06463 C ? A ? 44 CB 1
   ATOM 382 CG1 . VAL A 45 ? 23.03402 5.27623 15.84330 1.000 8.64509 C ? A ? 44 CG1 1
   ATOM 383 CG2 . VAL A 45 ? 21.79225 6.93681 14.45048 1.000 8.01263 C ? A ? 44 CG2 1
   ATOM 384 N . VAL A 46 ? 22.62392 7.05214 18.90900 1.000 7.54866 N ? A ? 45 N 1
   ATOM 385 CA . VAL A 46 ? 23.24514 6.57331 20.14321 1.000 7.64510 C ? A ? 45 CA 1
   ATOM 386 C . VAL A 46 ? 22.16967 6.21284 21.17410 1.000 7.71263 C ? A ? 45 C 1
   ATOM 387 O . VAL A 46 ? 22.21896 5.16221 21.81513 1.000 8.18951 O ? A ? 45 O 1
   ATOM 388 CB . VAL A 46 ? 24.26461 7.59562 20.64925 1.000 8.19736 C ? A ? 45 CB 1
   ATOM 389 CG1 . VAL A 46 ? 24.88000 7.14042 21.96495 1.000 8.76738 C ? A ? 45 CG1 1
   ATOM 390 CG2 . VAL A 46 ? 25.34289 7.85386 19.57368 1.000 9.17367 C ? A ? 45 CG2 1
   ATOM 391 N . ALA A 47 ? 21.18235 7.10470 21.36856 1.000 8.04226 N ? A ? 46 N 1
   ATOM 392 CA . ALA A 47 ? 20.11539 6.83432 22.31868 1.000 7.23578 C ? A ? 46 CA 1
   ATOM 393 C . ALA A 47 ? 19.33973 5.58037 21.92270 1.000 8.63983 C ? A ? 46 C 1
   ATOM 394 O . ALA A 47 ? 19.00000 4.76155 22.78026 1.000 8.18260 O ? A ? 46 O 1
   ATOM 395 CB . ALA A 47 ? 19.19417 8.03281 22.43847 1.000 9.00078 C ? A ? 46 CB 1
   ATOM 396 N . ALA A 48 ? 19.01207 5.43085 20.64075 1.000 6.94570 N ? A ? 47 N 1
   ATOM 397 CA . ALA A 48 ? 18.21405 4.27153 20.24758 1.000 8.07129 C ? A ? 47 CA 1
   ATOM 398 C . ALA A 48 ? 18.96624 2.98322 20.48989 1.000 6.70135 C ? A ? 47 C 1
   ATOM 399 O . ALA A 48 ? 18.42353 2.01858 21.03523 1.000 7.96375 O ? A ? 47 O 1
   ATOM 400 CB . ALA A 48 ? 17.76330 4.34779 18.79495 1.000 9.60291 C ? A ? 47 CB 1
   ATOM 401 N . ILE A 49 ? 20.21191 2.92058 20.05621 1.000 7.52748 N ? A ? 48 N 1
   ATOM 402 CA . ILE A 49 ? 20.98953 1.69947 20.22900 1.000 7.61762 C ? A ? 48 CA 1
   ATOM 403 C . ILE A 49 ? 21.21894 1.42019 21.70694 1.000 6.84241 C ? A ? 48 C 1
   ATOM 404 O . ILE A 49 ? 21.10440 0.27218 22.14475 1.000 7.99721 O ? A ? 48 O 1
   ATOM 405 CB . ILE A 49 ? 22.28327 1.73933 19.39897 1.000 8.48967 C ? A ? 48 CB 1
   ATOM 406 CG1 . ILE A 49 ? 21.94795 1.80500 17.90129 1.000 7.46330 C ? A ? 48 CG1 1
   ATOM 407 CG2 . ILE A 49 ? 23.18677 0.54950 19.73839 1.000 8.91635 C ? A ? 48 CG2 1
   ATOM 408 CD1 . ILE A 49 ? 23.18944 1.85551 16.95874 1.000 9.61374 C ? A ? 48 CD1 1
   ATOM 409 N . ALA A 50 ? 21.51195 2.45224 22.49905 1.000 7.78634 N ? A ? 49 N 1
   ATOM 410 CA . ALA A 50 ? 21.73640 2.20654 23.91842 1.000 8.65147 C ? A ? 49 CA 1
   ATOM 411 C . ALA A 50 ? 20.48870 1.72572 24.63831 1.000 8.82134 C ? A ? 49 C 1
   ATOM 412 O . ALA A 50 ? 20.60607 1.23703 25.76592 1.000 11.99010 O ? A ? 49 O 1
   ATOM 413 CB . ALA A 50 ? 22.22529 3.46021 24.58636 1.000 9.10555 C ? A ? 49 CB 1
   ATOM 414 N . ASN A 51 ? 19.32538 1.93065 24.07027 1.000 7.82534 N ? A ? 50 N 1
   ATOM 415 CA . ASN A 51 ? 18.05365 1.53261 24.67252 1.000 8.66819 C ? A ? 50 CA 1
   ATOM 416 C . ASN A 51 ? 17.37188 0.36374 23.92592 1.000 11.44903 C ? A ? 50 C 1
   ATOM 417 O . ASN A 51 ? 16.21874 -0.01773 24.22516 1.000 14.58660 O ? A ? 50 O 1
   ATOM 418 CB . ASN A 51 ? 17.19810 2.78025 24.90147 1.000 13.90099 C ? A ? 50 CB 1
   ATOM 419 CG . ASN A 51 ? 17.80389 3.68080 26.00066 1.000 13.65989 C ? A ? 50 CG 1
   ATOM 420 OD1 . ASN A 51 ? 17.68168 3.38323 27.18269 1.000 17.55936 O ? A ? 50 OD1 1
   ATOM 421 ND2 . ASN A 51 ? 18.48310 4.75952 25.61837 1.000 12.11093 N ? A ? 50 ND2 1
   ATOM 422 N . SER A 52 ? 18.13922 -0.42049 23.16928 1.000 8.38047 N ? A ? 51 N 1
   ATOM 423 CA . SER A 52 ? 17.59106 -1.41934 22.27251 1.000 8.59304 C ? A ? 51 CA 1
   ATOM 424 C . SER A 52 ? 17.59960 -2.80361 22.86883 1.000 9.54214 C ? A ? 51 C 1
   ATOM 425 O . SER A 52 ? 17.39719 -3.77842 22.13155 1.000 10.58618 O ? A ? 51 O 1
   ATOM 426 CB . SER A 52 ? 18.34272 -1.40727 20.92460 1.000 10.12111 C ? A ? 51 CB 1
   ATOM 427 OG . SER A 52 ? 19.67107 -1.76788 21.07459 1.000 11.37590 O ? A ? 51 OG 1
   ATOM 428 N . GLY A 53 ? 17.88535 -2.96402 24.15693 1.000 8.34962 N ? A ? 52 N 1
   ATOM 429 CA . GLY A 53 ? 17.83051 -4.28409 24.73742 1.000 8.57641 C ? A ? 52 CA 1
   ATOM 430 C . GLY A 53 ? 19.01786 -5.13491 24.37053 1.000 7.47441 C ? A ? 52 C 1
   ATOM 431 O . GLY A 53 ? 18.87110 -6.35077 24.24653 1.000 8.05610 O ? A ? 52 O 1
   ATOM 432 N . MET A 54 ? 20.21731 -4.52749 24.24377 1.000 9.39167 N ? A ? 53 N 1
   ATOM 433 CA . MET A 54 ? 21.41674 -5.28040 23.86272 1.000 9.43372 C ? A ? 53 CA 1
   ATOM 434 C . MET A 54 ? 21.84176 -6.34023 24.87359 1.000 9.72532 C ? A ? 53 C 1
   ATOM 435 O . MET A 54 ? 22.61131 -7.22018 24.49787 1.000 9.82649 O ? A ? 53 O 1
   ATOM 436 CB . MET A 54 ? 22.56606 -4.33454 23.52497 1.000 9.98914 C ? A ? 53 CB 1
   ATOM 437 CG . MET A 54 ? 22.33201 -3.46466 22.27225 1.000 10.04313 C ? A ? 53 CG 1
   ATOM 438 SD . MET A 54 ? 23.66174 -2.34995 21.91555 1.000 9.98755 S ? A ? 53 SD 1
   ATOM 439 CE . MET A 54 ? 25.02579 -3.49211 21.66671 1.000 11.71120 C ? A ? 53 CE 1
   ATOM 440 N A GLY A 55 ? 21.36979 -6.26897 26.11904 0.134 9.87016 N ? A ? 54 N 1
   ATOM 441 CA A GLY A 55 ? 21.65228 -7.32640 27.07278 0.134 11.06017 C ? A ? 54 CA 1
   ATOM 442 C A GLY A 55 ? 21.13691 -8.67906 26.63400 0.134 10.86007 C ? A ? 54 C 1
   ATOM 443 O A GLY A 55 ? 21.63353 -9.70994 27.10561 0.134 11.26737 O ? A ? 54 O 1
   ATOM 444 N B GLY A 55 ? 21.35351 -6.28187 26.11518 0.866 9.91425 N ? A ? 54 N 1
   ATOM 445 CA B GLY A 55 ? 21.68243 -7.34667 27.05558 0.866 11.12735 C ? A ? 54 CA 1
   ATOM 446 C B GLY A 55 ? 21.19630 -8.70143 26.56989 0.866 10.83602 C ? A ? 54 C 1
   ATOM 447 O B GLY A 55 ? 21.77359 -9.75839 26.92843 0.866 11.59909 O ? A ? 54 O 1
   ATOM 448 N . ALA A 56 ? 20.14657 -8.69619 25.73836 1.000 10.76010 N ? A ? 55 N 1
   ATOM 449 CA . ALA A 56 ? 19.65699 -9.93401 25.12177 1.000 12.46124 C ? A ? 55 CA 1
   ATOM 450 C . ALA A 56 ? 20.66176 -10.52874 24.14898 1.000 9.68025 C ? A ? 55 C 1
   ATOM 451 O . ALA A 56 ? 20.42067 -11.64813 23.65131 1.000 13.31812 O ? A ? 55 O 1
   ATOM 452 CB . ALA A 56 ? 18.35081 -9.66823 24.35985 1.000 12.09328 C ? A ? 55 CB 1
   ATOM 453 N . LEU A 57 ? 21.75510 -9.84690 23.82968 1.000 10.95004 N ? A ? 56 N 1
   ATOM 454 CA . LEU A 57 ? 22.78045 -10.35110 22.93250 1.000 10.97630 C ? A ? 56 CA 1
   ATOM 455 C . LEU A 57 ? 23.93125 -10.98393 23.70203 1.000 9.99677 C ? A ? 56 C 1
   ATOM 456 O . LEU A 57 ? 24.95492 -11.32436 23.07781 1.000 11.25544 O ? A ? 56 O 1
   ATOM 457 CB . LEU A 57 ? 23.27942 -9.23566 22.01290 1.000 11.08098 C ? A ? 56 CB 1
   ATOM 458 CG . LEU A 57 ? 22.16146 -8.59171 21.17036 1.000 9.73043 C ? A ? 56 CG 1
   ATOM 459 CD1 . LEU A 57 ? 22.67735 -7.34405 20.50521 1.000 12.46837 C ? A ? 56 CD1 1
   ATOM 460 CD2 . LEU A 57 ? 21.60911 -9.63344 20.18060 1.000 12.87676 C ? A ? 56 CD2 1
   ATOM 461 N . TYR A 58 ? 23.77230 -11.16732 25.01789 1.000 10.72966 N ? A ? 57 N 1
   ATOM 462 CA . TYR A 58 ? 24.78589 -11.78579 25.87220 1.000 8.85748 C ? A ? 57 CA 1
   ATOM 463 C . TYR A 58 ? 24.30637 -13.12525 26.40256 1.000 9.56387 C ? A ? 57 C 1
   ATOM 464 O . TYR A 58 ? 24.48406 -13.47079 27.58812 1.000 9.90385 O ? A ? 57 O 1
   ATOM 465 CB . TYR A 58 ? 25.19371 -10.81793 26.98445 1.000 9.45352 C ? A ? 57 CB 1
   ATOM 466 CG . TYR A 58 ? 26.05575 -9.70534 26.44369 1.000 7.91961 C ? A ? 57 CG 1
   ATOM 467 CD1 . TYR A 58 ? 27.42122 -9.86278 26.34424 1.000 9.53632 C ? A ? 57 CD1 1
   ATOM 468 CD2 . TYR A 58 ? 25.51987 -8.50997 25.99443 1.000 8.77536 C ? A ? 57 CD2 1
   ATOM 469 CE1 . TYR A 58 ? 28.24296 -8.90902 25.79700 1.000 9.95227 C ? A ? 57 CE1 1
   ATOM 470 CE2 . TYR A 58 ? 26.33717 -7.50076 25.44546 1.000 9.79021 C ? A ? 57 CE2 1
   ATOM 471 CZ . TYR A 58 ? 27.70536 -7.72244 25.35265 1.000 8.78757 C ? A ? 57 CZ 1
   ATOM 472 OH . TYR A 58 ? 28.51287 -6.70562 24.84802 1.000 9.69162 O ? A ? 57 OH 1
   ATOM 473 N . GLY A 59 ? 23.77100 -13.96321 25.51109 1.000 9.53500 N ? A ? 58 N 1
   ATOM 474 CA . GLY A 59 ? 23.27051 -15.24825 25.87662 1.000 10.95607 C ? A ? 58 CA 1
   ATOM 475 C . GLY A 59 ? 24.36142 -16.28024 26.08956 1.000 10.47998 C ? A ? 58 C 1
   ATOM 476 O . GLY A 59 ? 25.54869 -16.11645 25.77325 1.000 10.73913 O ? A ? 58 O 1
   ATOM 477 N . PRO A 60 ? 23.94568 -17.45159 26.56710 1.000 10.99583 N ? A ? 59 N 1
   ATOM 478 CA . PRO A 60 ? 24.89640 -18.56101 26.71542 1.000 11.84849 C ? A ? 59 CA 1
   ATOM 479 C . PRO A 60 ? 25.58084 -18.89723 25.40031 1.000 12.09314 C ? A ? 59 C 1
   ATOM 480 O . PRO A 60 ? 24.97016 -18.84668 24.34368 1.000 13.41424 O ? A ? 59 O 1
   ATOM 481 CB . PRO A 60 ? 24.02045 -19.73943 27.17937 1.000 14.05574 C ? A ? 59 CB 1
   ATOM 482 CG . PRO A 60 ? 22.83738 -19.15165 27.72112 1.000 17.24440 C ? A ? 59 CG 1
   ATOM 483 CD . PRO A 60 ? 22.60555 -17.81115 27.06171 1.000 13.22900 C ? A ? 59 CD 1
   ATOM 484 N . GLY A 61 ? 26.84806 -19.26150 25.48742 1.000 13.37319 N ? A ? 60 N 1
   ATOM 485 CA . GLY A 61 ? 27.63078 -19.60975 24.32411 1.000 14.26338 C ? A ? 60 CA 1
   ATOM 486 C . GLY A 61 ? 28.25413 -18.42290 23.62810 1.000 11.45811 C ? A ? 60 C 1
   ATOM 487 O . GLY A 61 ? 29.09095 -18.61113 22.75388 1.000 14.60119 O ? A ? 60 O 1
   ATOM 488 N . THR A 62 ? 27.91348 -17.18516 24.01223 1.000 11.21065 N ? A ? 61 N 1
   ATOM 489 CA . THR A 62 ? 28.48677 -16.00126 23.36282 1.000 11.17761 C ? A ? 61 CA 1
   ATOM 490 C . THR A 62 ? 29.73393 -15.50064 24.08143 1.000 9.74592 C ? A ? 61 C 1
   ATOM 491 O . THR A 62 ? 30.25611 -14.42057 23.74857 1.000 10.98591 O ? A ? 61 O 1
   ATOM 492 CB . THR A 62 ? 27.46220 -14.85277 23.29374 1.000 11.32755 C ? A ? 61 CB 1
   ATOM 493 OG1 . THR A 62 ? 27.23710 -14.32692 24.60463 1.000 10.70943 O ? A ? 61 OG1 1
   ATOM 494 CG2 . THR A 62 ? 26.11793 -15.26305 22.64350 1.000 11.35243 C ? A ? 61 CG2 1
   ATOM 495 N . ASP A 63 ? 30.22049 -16.27131 25.03958 1.000 12.91281 N ? A ? 62 N 1
   ATOM 496 CA . ASP A 63 ? 31.42801 -15.99449 25.79039 1.000 14.24934 C ? A ? 62 CA 1
   ATOM 497 C . ASP A 63 ? 32.67054 -16.52394 25.11421 1.000 16.47178 C ? A ? 62 C 1
   ATOM 498 O . ASP A 63 ? 33.77586 -16.26642 25.59829 1.000 27.97623 O ? A ? 62 O 1
   ATOM 499 CB . ASP A 63 ? 31.31517 -16.53771 27.21431 1.000 15.74760 C ? A ? 62 CB 1
   ATOM 500 CG . ASP A 63 ? 31.04338 -18.04747 27.26326 1.000 21.91640 C ? A ? 62 CG 1
   ATOM 501 OD1 . ASP A 63 ? 30.26626 -18.56164 26.44439 1.000 19.48884 O ? A ? 62 OD1 1
   ATOM 502 OD2 . ASP A 63 ? 31.61578 -18.72249 28.14281 1.000 29.17084 O ? A ? 62 OD2 1
   ATOM 503 N . LYS A 64 ? 32.53686 -17.23950 24.01049 1.000 17.79812 N ? A ? 63 N 1
   ATOM 504 CA . LYS A 64 ? 33.70241 -17.77932 23.33556 1.000 21.69626 C ? A ? 63 CA 1
   ATOM 505 C . LYS A 64 ? 33.53755 -17.53322 21.84858 1.000 17.47773 C ? A ? 63 C 1
   ATOM 506 O . LYS A 64 ? 32.43293 -17.28625 21.35736 1.000 17.99731 O ? A ? 63 O 1
   ATOM 507 CB . LYS A 64 ? 33.89890 -19.27392 23.64056 1.000 28.78192 C ? A ? 63 CB 1
   ATOM 508 CG . LYS A 64 ? 33.46612 -19.67990 25.03450 1.000 46.43668 C ? A ? 63 CG 1
   ATOM 509 CD . LYS A 64 ? 33.85875 -21.10507 25.33686 1.000 68.94550 C ? A ? 63 CD 1
   ATOM 510 CE . LYS A 64 ? 35.12064 -21.15302 26.18539 1.000 78.32643 C ? A ? 63 CE 1
   ATOM 511 NZ . LYS A 64 ? 34.88471 -20.86589 27.62793 1.000 82.27101 N ? A ? 63 NZ 1
   ATOM 512 N . ASN A 65 ? 34.65384 -17.58584 21.13239 1.000 18.72316 N ? A ? 64 N 1
   ATOM 513 CA . ASN A 65 ? 34.58914 -17.43570 19.69118 1.000 17.23919 C ? A ? 64 CA 1
   ATOM 514 C . ASN A 65 ? 33.80171 -18.59293 19.09465 1.000 18.70283 C ? A ? 64 C 1
   ATOM 515 O . ASN A 65 ? 33.76092 -19.69026 19.65971 1.000 19.83765 O ? A ? 64 O 1
   ATOM 516 CB . ASN A 65 ? 35.99407 -17.41958 19.10787 1.000 17.54039 C ? A ? 64 CB 1
   ATOM 517 CG . ASN A 65 ? 36.86762 -16.31664 19.70983 1.000 23.22001 C ? A ? 64 CG 1
   ATOM 518 OD1 . ASN A 65 ? 36.37505 -15.27616 20.15617 1.000 16.69801 O ? A ? 64 OD1 1
   ATOM 519 ND2 . ASN A 65 ? 38.17116 -16.54352 19.72481 1.000 19.13145 N ? A ? 64 ND2 1
   ATOM 520 N . VAL A 66 ? 33.15839 -18.33756 17.95636 1.000 21.37579 N ? A ? 65 N 1
   ATOM 521 CA . VAL A 66 ? 32.37319 -19.33918 17.22659 1.000 48.91867 C ? A ? 65 CA 1
   ATOM 522 C . VAL A 66 ? 32.97307 -19.43574 15.82676 1.000 81.72918 C ? A ? 65 C 1
   ATOM 523 O . VAL A 66 ? 32.55328 -18.74118 14.89581 1.000 72.53082 O ? A ? 65 O 1
   ATOM 524 CB . VAL A 66 ? 30.88205 -18.99034 17.17873 1.000 38.65059 C ? A ? 65 CB 1
   ATOM 525 CG1 . VAL A 66 ? 30.09476 -20.06068 16.41864 1.000 40.41239 C ? A ? 65 CG1 1
   ATOM 526 CG2 . VAL A 66 ? 30.33294 -18.80854 18.58593 1.000 27.14931 C ? A ? 65 CG2 1
   ATOM 527 N . GLY A 67 ? 33.96698 -20.30655 15.66611 1.000 126.42683 N ? A ? 66 N 1
   ATOM 528 CA . GLY A 67 ? 34.63688 -20.46032 14.39010 1.000 180.12463 C ? A ? 66 CA 1
   ATOM 529 C . GLY A 67 ? 35.40954 -19.22374 13.98337 1.000 226.70628 C ? A ? 66 C 1
   ATOM 530 O . GLY A 67 ? 36.33138 -18.79960 14.68634 1.000 226.83383 O ? A ? 66 O 1
   ATOM 531 N . ALA A 68 ? 35.04105 -18.63461 12.84672 1.000 261.41400 N ? A ? 67 N 1
   ATOM 532 CA . ALA A 68 ? 35.68208 -17.41108 12.38622 1.000 194.10134 C ? A ? 67 CA 1
   ATOM 533 C . ALA A 68 ? 35.13130 -16.16339 13.06216 1.000 120.08353 C ? A ? 67 C 1
   ATOM 534 O . ALA A 68 ? 35.74542 -15.09744 12.94778 1.000 101.93008 O ? A ? 67 O 1
   ATOM 535 CB . ALA A 68 ? 35.55262 -17.27934 10.86736 1.000 197.36394 C ? A ? 67 CB 1
   ATOM 536 N . VAL A 69 ? 34.00338 -16.26893 13.75702 1.000 75.31215 N ? A ? 68 N 1
   ATOM 537 CA . VAL A 69 ? 33.39491 -15.13256 14.44000 1.000 41.12086 C ? A ? 68 CA 1
   ATOM 538 C . VAL A 69 ? 33.96895 -15.05866 15.84941 1.000 30.58754 C ? A ? 68 C 1
   ATOM 539 O . VAL A 69 ? 33.68450 -15.90677 16.69633 1.000 22.33652 O ? A ? 68 O 1
   ATOM 540 CB . VAL A 69 ? 31.86673 -15.24806 14.46834 1.000 37.64076 C ? A ? 68 CB 1
   ATOM 541 CG1 . VAL A 69 ? 31.28303 -14.16704 15.36246 1.000 23.43789 C ? A ? 68 CG1 1
   ATOM 542 CG2 . VAL A 69 ? 31.32283 -15.12898 13.06398 1.000 40.88052 C ? A ? 68 CG2 1
   ATOM 543 N . LYS A 70 ? 34.76847 -14.03884 16.11200 1.000 19.18152 N ? A ? 69 N 1
   ATOM 544 CA . LYS A 70 ? 35.46556 -13.92390 17.37699 1.000 15.43521 C ? A ? 69 CA 1
   ATOM 545 C . LYS A 70 ? 34.82629 -12.83197 18.22048 1.000 12.16243 C ? A ? 69 C 1
   ATOM 546 O . LYS A 70 ? 34.34425 -11.82460 17.69550 1.000 16.09516 O ? A ? 69 O 1
   ATOM 547 CB . LYS A 70 ? 36.93124 -13.68185 17.11188 1.000 23.67578 C ? A ? 69 CB 1
   ATOM 548 CG . LYS A 70 ? 37.35167 -14.80344 16.17333 1.000 44.52339 C ? A ? 69 CG 1
   ATOM 549 CD . LYS A 70 ? 38.71364 -14.66163 15.59634 1.000 58.09702 C ? A ? 69 CD 1
   ATOM 550 CE . LYS A 70 ? 39.18385 -16.04576 15.11891 1.000 70.29985 C ? A ? 69 CE 1
   ATOM 551 NZ . LYS A 70 ? 38.50722 -16.49995 13.86331 1.000 75.11203 N ? A ? 69 NZ 1
   ATOM 552 N . THR A 71 ? 34.81011 -13.03240 19.52081 1.000 10.56963 N ? A ? 70 N 1
   ATOM 553 CA . THR A 71 ? 34.34499 -12.01044 20.44442 1.000 10.60915 C ? A ? 70 CA 1
   ATOM 554 C . THR A 71 ? 35.52426 -11.41131 21.19714 1.000 10.04375 C ? A ? 70 C 1
   ATOM 555 O . THR A 71 ? 36.51449 -12.11500 21.47765 1.000 13.09826 O ? A ? 70 O 1
   ATOM 556 CB . THR A 71 ? 33.31770 -12.59020 21.44629 1.000 10.12775 C ? A ? 70 CB 1
   ATOM 557 OG1 . THR A 71 ? 32.87523 -11.56092 22.32450 1.000 11.71828 O ? A ? 70 OG1 1
   ATOM 558 CG2 . THR A 71 ? 33.83490 -13.74819 22.29364 1.000 15.29034 C ? A ? 70 CG2 1
   ATOM 559 N . ARG A 72 ? 35.40608 -10.12449 21.50975 1.000 9.18430 N ? A ? 71 N 1
   ATOM 560 CA . ARG A 72 ? 36.37521 -9.43666 22.33627 1.000 11.19727 C ? A ? 71 CA 1
   ATOM 561 C . ARG A 72 ? 35.79400 -9.13632 23.70336 1.000 10.84587 C ? A ? 71 C 1
   ATOM 562 O . ARG A 72 ? 36.29331 -8.26960 24.42927 1.000 12.23994 O ? A ? 71 O 1
   ATOM 563 CB . ARG A 72 ? 36.93099 -8.19139 21.62383 1.000 10.70474 C ? A ? 71 CB 1
   ATOM 564 CG . ARG A 72 ? 37.58207 -8.55523 20.26992 1.000 11.07516 C ? A ? 71 CG 1
   ATOM 565 CD . ARG A 72 ? 38.46472 -7.38239 19.77593 1.000 12.31057 C ? A ? 71 CD 1
   ATOM 566 NE . ARG A 72 ? 39.09283 -7.62631 18.47508 1.000 15.12593 N ? A ? 71 NE 1
   ATOM 567 CZ . ARG A 72 ? 40.16239 -8.38756 18.28045 1.000 13.88952 C ? A ? 71 CZ 1
   ATOM 568 NH1 . ARG A 72 ? 40.74434 -9.04215 19.27386 1.000 14.12702 N ? A ? 71 NH1 1
   ATOM 569 NH2 . ARG A 72 ? 40.65025 -8.52026 17.04380 1.000 16.43262 N ? A ? 71 NH2 1
   ATOM 570 N . ALA A 73 ? 34.71730 -9.82843 24.07404 1.000 10.94553 N ? A ? 72 N 1
   ATOM 571 CA . ALA A 73 ? 34.22068 -9.70479 25.43011 1.000 9.91837 C ? A ? 72 CA 1
   ATOM 572 C . ALA A 73 ? 35.13060 -10.47228 26.38707 1.000 12.37523 C ? A ? 72 C 1
   ATOM 573 O . ALA A 73 ? 35.59132 -11.58114 26.07206 1.000 13.12105 O ? A ? 72 O 1
   ATOM 574 CB . ALA A 73 ? 32.80634 -10.28647 25.53984 1.000 12.20039 C ? A ? 72 CB 1
   ATOM 575 N . LYS A 74 ? 35.40211 -9.88082 27.55063 1.000 11.77194 N ? A ? 73 N 1
   ATOM 576 CA . LYS A 74 ? 36.15102 -10.60031 28.57749 1.000 13.44365 C ? A ? 73 CA 1
   ATOM 577 C . LYS A 74 ? 35.28313 -11.67863 29.19911 1.000 13.78265 C ? A ? 73 C 1
   ATOM 578 O . LYS A 74 ? 34.08452 -11.48886 29.40228 1.000 13.46701 O ? A ? 73 O 1
   ATOM 579 CB . LYS A 74 ? 36.58590 -9.69481 29.71906 1.000 13.87047 C ? A ? 73 CB 1
   ATOM 580 CG . LYS A 74 ? 37.67802 -8.70317 29.41929 1.000 16.39616 C ? A ? 73 CG 1
   ATOM 581 CD . LYS A 74 ? 38.03944 -7.99406 30.72414 1.000 21.01274 C ? A ? 73 CD 1
   ATOM 582 CE . LYS A 74 ? 39.24646 -7.11218 30.59019 1.000 29.07567 C ? A ? 73 CE 1
   ATOM 583 NZ . LYS A 74 ? 39.83032 -6.87356 31.94425 1.000 39.35757 N ? A ? 73 NZ 1
   ATOM 584 N . PRO A 75 ? 35.88684 -12.81911 29.55916 1.000 15.97154 N ? A ? 74 N 1
   ATOM 585 CA . PRO A 75 ? 35.13636 -13.83781 30.29958 1.000 14.92533 C ? A ? 74 CA 1
   ATOM 586 C . PRO A 75 ? 34.53329 -13.31562 31.57797 1.000 15.08812 C ? A ? 74 C 1
   ATOM 587 O . PRO A 75 ? 33.43975 -13.75688 31.94171 1.000 17.40305 O ? A ? 74 O 1
   ATOM 588 CB . PRO A 75 ? 36.18113 -14.94016 30.55968 1.000 20.76025 C ? A ? 74 CB 1
   ATOM 589 CG . PRO A 75 ? 37.17869 -14.76044 29.47761 1.000 24.58046 C ? A ? 74 CG 1
   ATOM 590 CD . PRO A 75 ? 37.24622 -13.28149 29.22121 1.000 18.90061 C ? A ? 74 CD 1
   ATOM 591 N . GLU A 76 ? 35.15323 -12.33995 32.23423 1.000 18.23546 N ? A ? 75 N 1
   ATOM 592 CA . GLU A 76 ? 34.58858 -11.81031 33.46983 1.000 18.43329 C ? A ? 75 CA 1
   ATOM 593 C . GLU A 76 ? 33.23423 -11.15523 33.24765 1.000 18.84701 C ? A ? 75 C 1
   ATOM 594 O . GLU A 76 ? 32.46719 -10.98667 34.20411 1.000 19.79738 O ? A ? 75 O 1
   ATOM 595 CB . GLU A 76 ? 35.49465 -10.73615 34.05746 1.000 24.85113 C ? A ? 75 CB 1
   ATOM 596 CG . GLU A 76 ? 36.66432 -11.24319 34.83989 1.000 31.30249 C ? A ? 75 CG 1
   ATOM 597 CD . GLU A 76 ? 37.78958 -11.64504 33.94549 1.000 36.22687 C ? A ? 75 CD 1
   ATOM 598 OE1 . GLU A 76 ? 38.84523 -12.04293 34.47124 1.000 32.58227 O ? A ? 75 OE1 1
   ATOM 599 OE2 . GLU A 76 ? 37.63006 -11.56451 32.70553 1.000 24.94374 O ? A ? 75 OE2 1
   ATOM 600 N . LEU A 77 ? 32.96081 -10.67798 32.03206 1.000 15.42835 N ? A ? 76 N 1
   ATOM 601 CA . LEU A 77 ? 31.66796 -10.05860 31.78071 1.000 14.03944 C ? A ? 76 CA 1
   ATOM 602 C . LEU A 77 ? 30.55421 -11.02350 32.16866 1.000 13.64127 C ? A ? 76 C 1
   ATOM 603 O . LEU A 77 ? 29.59152 -10.65345 32.84885 1.000 13.34561 O ? A ? 76 O 1
   ATOM 604 CB . LEU A 77 ? 31.61604 -9.66585 30.30719 1.000 14.17563 C ? A ? 76 CB 1
   ATOM 605 CG . LEU A 77 ? 30.38705 -8.97414 29.74364 1.000 10.48767 C ? A ? 76 CG 1
   ATOM 606 CD1 . LEU A 77 ? 30.70284 -8.30356 28.38222 1.000 11.20590 C ? A ? 76 CD1 1
   ATOM 607 CD2 . LEU A 77 ? 29.17105 -9.87623 29.61297 1.000 12.47496 C ? A ? 76 CD2 1
   ATOM 608 N . PHE A 78 ? 30.70472 -12.28598 31.78135 1.000 12.93483 N ? A ? 77 N 1
   ATOM 609 CA . PHE A 78 ? 29.64074 -13.24722 31.99409 1.000 13.48963 C ? A ? 77 CA 1
   ATOM 610 C . PHE A 78 ? 29.51307 -13.67898 33.44913 1.000 14.76831 C ? A ? 77 C 1
   ATOM 611 O . PHE A 78 ? 28.50515 -14.28547 33.80983 1.000 15.85823 O ? A ? 77 O 1
   ATOM 612 CB . PHE A 78 ? 29.84984 -14.40852 31.01987 1.000 14.76954 C ? A ? 77 CB 1
   ATOM 613 CG . PHE A 78 ? 29.83806 -13.95937 29.59490 1.000 14.43059 C ? A ? 77 CG 1
   ATOM 614 CD1 . PHE A 78 ? 28.62962 -13.82999 28.93073 1.000 14.87162 C ? A ? 77 CD1 1
   ATOM 615 CD2 . PHE A 78 ? 31.00356 -13.59787 28.95699 1.000 12.67686 C ? A ? 77 CD2 1
   ATOM 616 CE1 . PHE A 78 ? 28.57245 -13.38901 27.61897 1.000 14.50246 C ? A ? 77 CE1 1
   ATOM 617 CE2 . PHE A 78 ? 30.94457 -13.12008 27.64617 1.000 15.27674 C ? A ? 77 CE2 1
   ATOM 618 CZ . PHE A 78 ? 29.72535 -13.04698 26.98641 1.000 14.88142 C ? A ? 77 CZ 1
   ATOM 619 N . GLN A 79 ? 30.47294 -13.34971 34.28353 1.000 14.23484 N ? A ? 78 N 1
   ATOM 620 CA . GLN A 79 ? 30.37108 -13.64913 35.70342 1.000 17.68268 C ? A ? 78 CA 1
   ATOM 621 C . GLN A 79 ? 29.71371 -12.51343 36.47370 1.000 13.47607 C ? A ? 78 C 1
   ATOM 622 O . GLN A 79 ? 29.55261 -12.59792 37.69348 1.000 15.88168 O ? A ? 78 O 1
   ATOM 623 CB . GLN A 79 ? 31.77393 -13.87410 36.26316 1.000 22.50430 C ? A ? 78 CB 1
   ATOM 624 CG . GLN A 79 ? 32.64578 -14.82038 35.45325 1.000 28.66321 C ? A ? 78 CG 1
   ATOM 625 CD . GLN A 79 ? 34.05310 -14.82514 35.98150 1.000 43.81160 C ? A ? 78 CD 1
   ATOM 626 OE1 . GLN A 79 ? 34.26944 -14.52134 37.16075 1.000 52.45810 O ? A ? 78 OE1 1
   ATOM 627 NE2 . GLN A 79 ? 35.01971 -15.13610 35.12561 1.000 51.46955 N ? A ? 78 NE2 1
   ATOM 628 N . ASN A 80 ? 29.39548 -11.40248 35.79545 1.000 12.93930 N ? A ? 79 N 1
   ATOM 629 CA . ASN A 80 ? 28.93609 -10.17452 36.44199 1.000 12.38525 C ? A ? 79 CA 1
   ATOM 630 C . ASN A 80 ? 27.82380 -9.51976 35.63686 1.000 10.26984 C ? A ? 79 C 1
   ATOM 631 O . ASN A 80 ? 27.81311 -8.30124 35.43327 1.000 9.42830 O ? A ? 79 O 1
   ATOM 632 CB . ASN A 80 ? 30.10404 -9.20187 36.58293 1.000 14.50823 C ? A ? 79 CB 1
   ATOM 633 CG . ASN A 80 ? 31.22434 -9.73940 37.45730 1.000 16.07498 C ? A ? 79 CG 1
   ATOM 634 OD1 . ASN A 80 ? 31.13900 -9.65065 38.68664 1.000 19.89238 O ? A ? 79 OD1 1
   ATOM 635 ND2 . ASN A 80 ? 32.28454 -10.27366 36.84107 1.000 19.49455 N ? A ? 79 ND2 1
   ATOM 636 N . LEU A 81 ? 26.87922 -10.32267 35.14367 1.000 10.49735 N ? A ? 80 N 1
   ATOM 637 CA . LEU A 81 ? 25.89101 -9.81257 34.18717 1.000 9.36034 C ? A ? 80 CA 1
   ATOM 638 C . LEU A 81 ? 25.00348 -8.72179 34.77286 1.000 8.92148 C ? A ? 80 C 1
   ATOM 639 O . LEU A 81 ? 24.59575 -7.78601 34.05688 1.000 10.30655 O ? A ? 80 O 1
   ATOM 640 CB . LEU A 81 ? 25.06557 -10.97017 33.63372 1.000 10.58052 C ? A ? 80 CB 1
   ATOM 641 CG . LEU A 81 ? 25.84208 -11.80592 32.59510 1.000 12.31724 C ? A ? 80 CG 1
   ATOM 642 CD1 . LEU A 81 ? 25.22175 -13.17028 32.30083 1.000 13.29473 C ? A ? 80 CD1 1
   ATOM 643 CD2 . LEU A 81 ? 26.12802 -11.02264 31.30648 1.000 12.86829 C ? A ? 80 CD2 1
   ATOM 644 N . GLU A 82 ? 24.66795 -8.79480 36.06215 1.000 10.28671 N ? A ? 81 N 1
   ATOM 645 CA . GLU A 82 ? 23.87522 -7.71559 36.63019 1.000 9.51760 C ? A ? 81 CA 1
   ATOM 646 C . GLU A 82 ? 24.62587 -6.39156 36.55795 1.000 9.88897 C ? A ? 81 C 1
   ATOM 647 O . GLU A 82 ? 24.05748 -5.34896 36.19487 1.000 10.21384 O ? A ? 81 O 1
   ATOM 648 CB . GLU A 82 ? 23.48317 -8.05831 38.06994 1.000 11.54772 C ? A ? 81 CB 1
   ATOM 649 CG . GLU A 82 ? 22.68106 -6.94643 38.67288 1.000 14.24229 C ? A ? 81 CG 1
   ATOM 650 CD . GLU A 82 ? 22.02869 -7.25097 40.01401 1.000 13.21682 C ? A ? 81 CD 1
   ATOM 651 OE1 . GLU A 82 ? 21.85306 -8.39797 40.41186 1.000 15.25413 O ? A ? 81 OE1 1
   ATOM 652 OE2 . GLU A 82 ? 21.66854 -6.27329 40.69975 1.000 18.83342 O ? A ? 81 OE2 1
   ATOM 653 N . ASP A 83 ? 25.91574 -6.40894 36.87997 1.000 9.39943 N ? A ? 82 N 1
   ATOM 654 CA . ASP A 83 ? 26.70976 -5.19053 36.78207 1.000 9.85970 C ? A ? 82 CA 1
   ATOM 655 C . ASP A 83 ? 26.85977 -4.71738 35.34255 1.000 8.15829 C ? A ? 82 C 1
   ATOM 656 O . ASP A 83 ? 26.83434 -3.50987 35.07443 1.000 8.46723 O ? A ? 82 O 1
   ATOM 657 CB . ASP A 83 ? 28.07188 -5.34097 37.46079 1.000 11.55394 C ? A ? 82 CB 1
   ATOM 658 CG . ASP A 83 ? 28.84051 -4.03618 37.50696 1.000 11.57920 C ? A ? 82 CG 1
   ATOM 659 OD1 . ASP A 83 ? 28.29431 -3.03663 38.03231 1.000 12.34841 O ? A ? 82 OD1 1
   ATOM 660 OD2 . ASP A 83 ? 29.98449 -4.00769 37.00644 1.000 12.78145 O ? A ? 82 OD2 1
   ATOM 661 N . VAL A 84 ? 27.04148 -5.66255 34.41984 1.000 9.62583 N ? A ? 83 N 1
   ATOM 662 CA . VAL A 84 ? 27.06516 -5.30817 32.99464 1.000 9.46842 C ? A ? 83 CA 1
   ATOM 663 C . VAL A 84 ? 25.79888 -4.58048 32.60527 1.000 7.43143 C ? A ? 83 C 1
   ATOM 664 O . VAL A 84 ? 25.84056 -3.52909 31.95525 1.000 8.33416 O ? A ? 83 O 1
   ATOM 665 CB . VAL A 84 ? 27.27249 -6.56435 32.14623 1.000 10.87247 C ? A ? 83 CB 1
   ATOM 666 CG1 . VAL A 84 ? 27.17960 -6.22476 30.65912 1.000 13.66310 C ? A ? 83 CG1 1
   ATOM 667 CG2 . VAL A 84 ? 28.58538 -7.27939 32.47399 1.000 11.98680 C ? A ? 83 CG2 1
   ATOM 668 N . GLY A 85 ? 24.64954 -5.08413 33.07102 1.000 9.74918 N ? A ? 84 N 1
   ATOM 669 CA . GLY A 85 ? 23.40348 -4.41161 32.79235 1.000 9.87391 C ? A ? 84 CA 1
   ATOM 670 C . GLY A 85 ? 23.30880 -3.04866 33.43423 1.000 9.17047 C ? A ? 84 C 1
   ATOM 671 O . GLY A 85 ? 22.73143 -2.13247 32.84784 1.000 10.44451 O ? A ? 84 O 1
   ATOM 672 N . LYS A 86 ? 23.86094 -2.89313 34.63450 1.000 9.36154 N ? A ? 85 N 1
   ATOM 673 CA . LYS A 86 ? 23.85297 -1.59013 35.27621 1.000 9.95318 C ? A ? 85 CA 1
   ATOM 674 C . LYS A 86 ? 24.65257 -0.59086 34.43781 1.000 8.27293 C ? A ? 85 C 1
   ATOM 675 O . LYS A 86 ? 24.22731 0.54530 34.22730 1.000 8.79400 O ? A ? 85 O 1
   ATOM 676 CB . LYS A 86 ? 24.40983 -1.73225 36.70078 1.000 12.75391 C ? A ? 85 CB 1
   ATOM 677 CG . LYS A 86 ? 24.35127 -0.48041 37.56947 1.000 12.68255 C ? A ? 85 CG 1
   ATOM 678 CD . LYS A 86 ? 25.52344 0.46551 37.37682 1.000 14.88545 C ? A ? 85 CD 1
   ATOM 679 CE . LYS A 86 ? 25.39128 1.62948 38.33047 1.000 16.10015 C ? A ? 85 CE 1
   ATOM 680 NZ . LYS A 86 ? 26.45811 2.62782 38.10395 1.000 17.08403 N ? A ? 85 NZ 1
   ATOM 681 N . LEU A 87 ? 25.82919 -0.99194 33.98555 1.000 9.21909 N ? A ? 86 N 1
   ATOM 682 CA . LEU A 87 ? 26.65664 -0.12728 33.15734 1.000 8.55502 C ? A ? 86 CA 1
   ATOM 683 C . LEU A 87 ? 25.97655 0.17379 31.83805 1.000 6.86070 C ? A ? 86 C 1
   ATOM 684 O . LEU A 87 ? 26.08403 1.30450 31.32076 1.000 8.13881 O ? A ? 86 O 1
   ATOM 685 CB . LEU A 87 ? 28.02493 -0.77154 32.95444 1.000 9.26138 C ? A ? 86 CB 1
   ATOM 686 CG . LEU A 87 ? 28.83911 -0.95758 34.23575 1.000 9.60599 C ? A ? 86 CG 1
   ATOM 687 CD1 . LEU A 87 ? 30.22171 -1.44921 33.87186 1.000 11.47251 C ? A ? 86 CD1 1
   ATOM 688 CD2 . LEU A 87 ? 28.93345 0.32378 35.06602 1.000 11.26010 C ? A ? 86 CD2 1
   ATOM 689 N . ALA A 88 ? 25.26531 -0.81688 31.26663 1.000 8.44679 N ? A ? 87 N 1
   ATOM 690 CA . ALA A 88 ? 24.49610 -0.53639 30.04466 1.000 8.61330 C ? A ? 87 CA 1
   ATOM 691 C . ALA A 88 ? 23.39764 0.48302 30.30533 1.000 8.70860 C ? A ? 87 C 1
   ATOM 692 O . ALA A 88 ? 23.11066 1.35639 29.46819 1.000 8.95223 O ? A ? 87 O 1
   ATOM 693 CB . ALA A 88 ? 23.91484 -1.83846 29.50041 1.000 9.20949 C ? A ? 87 CB 1
   ATOM 694 N . ARG A 89 ? 22.76584 0.38978 31.46791 1.000 9.58479 N ? A ? 88 N 1
   ATOM 695 CA . ARG A 89 ? 21.71561 1.32088 31.80936 1.000 10.84748 C ? A ? 88 CA 1
   ATOM 696 C . ARG A 89 ? 22.28645 2.70931 32.02461 1.000 11.03473 C ? A ? 88 C 1
   ATOM 697 O . ARG A 89 ? 21.65879 3.70165 31.63104 1.000 11.23266 O ? A ? 88 O 1
   ATOM 698 CB . ARG A 89 ? 20.96910 0.81729 33.03482 1.000 14.64112 C ? A ? 88 CB 1
   ATOM 699 CG . ARG A 89 ? 19.77369 1.67867 33.37987 1.000 18.58761 C ? A ? 88 CG 1
   ATOM 700 CD . ARG A 89 ? 19.00185 1.08884 34.57145 1.000 35.07875 C ? A ? 88 CD 1
   ATOM 701 NE . ARG A 89 ? 19.54543 1.48960 35.86686 1.000 44.02822 N ? A ? 88 NE 1
   ATOM 702 CZ . ARG A 89 ? 20.13899 0.67862 36.73750 1.000 48.71515 C ? A ? 88 CZ 1
   ATOM 703 NH1 . ARG A 89 ? 20.27712 -0.61841 36.50089 1.000 37.83945 N ? A ? 88 NH1 1
   ATOM 704 NH2 . ARG A 89 ? 20.61241 1.18587 37.87438 1.000 42.99446 N ? A ? 88 NH2 1
   ATOM 705 N . ASP A 90 ? 23.48524 2.81622 32.60719 1.000 10.02068 N ? A ? 89 N 1
   ATOM 706 CA . ASP A 90 ? 24.13342 4.12386 32.69402 1.000 11.14335 C ? A ? 89 CA 1
   ATOM 707 C . ASP A 90 ? 24.35175 4.72765 31.30979 1.000 7.28321 C ? A ? 89 C 1
   ATOM 708 O . ASP A 90 ? 24.17777 5.93698 31.12138 1.000 9.46385 O ? A ? 89 O 1
   ATOM 709 CB . ASP A 90 ? 25.49802 4.01707 33.37634 1.000 11.78831 C ? A ? 89 CB 1
   ATOM 710 CG . ASP A 90 ? 25.43190 3.77906 34.88172 1.000 15.20875 C ? A ? 89 CG 1
   ATOM 711 OD1 . ASP A 90 ? 24.33892 3.89496 35.46487 1.000 17.36151 O ? A ? 89 OD1 1
   ATOM 712 OD2 . ASP A 90 ? 26.50418 3.44066 35.45586 1.000 14.16936 O ? A ? 89 OD2 1
   ATOM 713 N . LEU A 91 ? 24.74500 3.90551 30.32594 1.000 8.94071 N ? A ? 90 N 1
   ATOM 714 CA . LEU A 91 ? 24.83372 4.41478 28.95538 1.000 9.27524 C ? A ? 90 CA 1
   ATOM 715 C . LEU A 91 ? 23.47681 4.84015 28.43193 1.000 7.17768 C ? A ? 90 C 1
   ATOM 716 O . LEU A 91 ? 23.34431 5.93650 27.85744 1.000 7.89174 O ? A ? 90 O 1
   ATOM 717 CB . LEU A 91 ? 25.44453 3.38468 28.02641 1.000 8.18120 C ? A ? 90 CB 1
   ATOM 718 CG . LEU A 91 ? 25.50298 3.84827 26.55656 1.000 8.07412 C ? A ? 90 CG 1
   ATOM 719 CD1 . LEU A 91 ? 26.48444 4.98789 26.34420 1.000 11.51122 C ? A ? 90 CD1 1
   ATOM 720 CD2 . LEU A 91 ? 25.77594 2.68667 25.63708 1.000 7.83208 C ? A ? 90 CD2 1
   ATOM 721 N B GLY A 92 ? 22.45652 4.02628 28.69230 0.637 9.51744 N ? A ? 91 N 1
   ATOM 722 CA B GLY A 92 ? 21.11165 4.33839 28.24745 0.637 9.30327 C ? A ? 91 CA 1
   ATOM 723 C B GLY A 92 ? 20.62632 5.67689 28.76423 0.637 9.83992 C ? A ? 91 C 1
   ATOM 724 O B GLY A 92 ? 20.15454 6.52851 27.99787 0.637 9.23702 O ? A ? 91 O 1
   ATOM 725 N C GLY A 92 ? 22.44226 4.01515 28.60756 0.363 9.52111 N ? A ? 91 N 1
   ATOM 726 CA C GLY A 92 ? 21.14794 4.33735 28.01462 0.363 9.02629 C ? A ? 91 CA 1
   ATOM 727 C C GLY A 92 ? 20.50490 5.56892 28.61832 0.363 9.10828 C ? A ? 91 C 1
   ATOM 728 O C GLY A 92 ? 19.76849 6.30521 27.93419 0.363 8.03906 O ? A ? 91 O 1
   ATOM 729 N B THR A 93 ? 20.76245 5.92276 30.06342 0.637 9.89280 N ? A ? 92 N 1
   ATOM 730 CA B THR A 93 ? 20.24294 7.19497 30.56004 0.637 11.92237 C ? A ? 92 CA 1
   ATOM 731 C B THR A 93 ? 21.10994 8.37117 30.11642 0.637 10.37996 C ? A ? 92 C 1
   ATOM 732 O B THR A 93 ? 20.60313 9.47047 29.88923 0.637 10.35967 O ? A ? 92 O 1
   ATOM 733 CB B THR A 93 ? 20.07818 7.18256 32.06978 0.637 15.47701 C ? A ? 92 CB 1
   ATOM 734 OG1 B THR A 93 ? 21.36524 7.02362 32.66093 0.637 12.41166 O ? A ? 92 OG1 1
   ATOM 735 CG2 B THR A 93 ? 19.12139 6.08749 32.51685 0.637 15.69365 C ? A ? 92 CG2 1
   ATOM 736 N C THR A 93 ? 20.81345 5.84639 29.88931 0.363 9.86867 N ? A ? 92 N 1
   ATOM 737 CA C THR A 93 ? 20.33831 7.04090 30.57680 0.363 11.63294 C ? A ? 92 CA 1
   ATOM 738 C C THR A 93 ? 21.07972 8.27584 30.07731 0.363 10.52777 C ? A ? 92 C 1
   ATOM 739 O C THR A 93 ? 20.45188 9.27928 29.71897 0.363 10.79368 O ? A ? 92 O 1
   ATOM 740 CB C THR A 93 ? 20.48699 6.86535 32.09466 0.363 12.64907 C ? A ? 92 CB 1
   ATOM 741 OG1 C THR A 93 ? 19.88854 5.62111 32.50044 0.363 12.59964 O ? A ? 92 OG1 1
   ATOM 742 CG2 C THR A 93 ? 19.80728 8.00873 32.81411 0.363 11.60607 C ? A ? 92 CG2 1
   ATOM 743 N . ALA A 94 ? 22.41669 8.20129 30.00575 1.000 10.80261 N ? A ? 93 N 1
   ATOM 744 CA . ALA A 94 ? 23.22439 9.29931 29.47644 1.000 10.63406 C ? A ? 93 CA 1
   ATOM 745 C . ALA A 94 ? 22.89362 9.58941 28.01127 1.000 7.57846 C ? A ? 93 C 1
   ATOM 746 O . ALA A 94 ? 22.81693 10.76164 27.61254 1.000 8.80463 O ? A ? 93 O 1
   ATOM 747 CB . ALA A 94 ? 24.70812 8.97812 29.65097 1.000 11.55712 C ? A ? 93 CB 1
   ATOM 748 N . ALA A 95 ? 22.69860 8.52905 27.22048 1.000 8.34582 N ? A ? 94 N 1
   ATOM 749 CA . ALA A 95 ? 22.37084 8.69924 25.81438 1.000 7.53261 C ? A ? 94 CA 1
   ATOM 750 C . ALA A 95 ? 20.98438 9.28081 25.62369 1.000 8.32661 C ? A ? 94 C 1
   ATOM 751 O . ALA A 95 ? 20.76859 10.09750 24.72081 1.000 8.52267 O ? A ? 94 O 1
   ATOM 752 CB . ALA A 95 ? 22.47123 7.37871 25.12610 1.000 8.51647 C ? A ? 94 CB 1
   ATOM 753 N . ASN A 96 ? 20.02512 8.91003 26.44881 1.000 9.47239 N ? A ? 95 N 1
   ATOM 754 CA . ASN A 96 ? 18.71877 9.57246 26.37075 1.000 9.36403 C ? A ? 95 CA 1
   ATOM 755 C . ASN A 96 ? 18.81582 11.06076 26.69529 1.000 10.20124 C ? A ? 95 C 1
   ATOM 756 O . ASN A 96 ? 18.19259 11.91628 26.03273 1.000 9.93609 O ? A ? 95 O 1
   ATOM 757 CB . ASN A 96 ? 17.73999 8.81509 27.28054 1.000 13.67169 C ? A ? 95 CB 1
   ATOM 758 CG . ASN A 96 ? 17.12764 7.56183 26.60603 1.000 10.91313 C ? A ? 95 CG 1
   ATOM 759 OD1 . ASN A 96 ? 17.11128 7.47980 25.38740 1.000 18.10174 O ? A ? 95 OD1 1
   ATOM 760 ND2 . ASN A 96 ? 16.50073 6.70334 27.39883 1.000 18.28509 N ? A ? 95 ND2 1
   ATOM 761 N . ALA A 97 ? 19.64922 11.40298 27.66232 1.000 9.52118 N ? A ? 96 N 1
   ATOM 762 CA . ALA A 97 ? 19.83762 12.81641 27.95799 1.000 10.50014 C ? A ? 96 CA 1
   ATOM 763 C . ALA A 97 ? 20.47630 13.54022 26.76866 1.000 9.71765 C ? A ? 96 C 1
   ATOM 764 O . ALA A 97 ? 20.11351 14.69245 26.44326 1.000 10.02727 O ? A ? 96 O 1
   ATOM 765 CB . ALA A 97 ? 20.69036 12.94839 29.22634 1.000 12.82104 C ? A ? 96 CB 1
   ATOM 766 N . LEU A 98 ? 21.48035 12.93046 26.15133 1.000 9.24266 N ? A ? 97 N 1
   ATOM 767 CA . LEU A 98 ? 22.10935 13.50402 24.97224 1.000 9.80817 C ? A ? 97 CA 1
   ATOM 768 C . LEU A 98 ? 21.09408 13.75560 23.86213 1.000 7.92201 C ? A ? 97 C 1
   ATOM 769 O . LEU A 98 ? 21.05919 14.86086 23.27634 1.000 8.51555 O ? A ? 97 O 1
   ATOM 770 CB . LEU A 98 ? 23.20564 12.54263 24.50431 1.000 9.68505 C ? A ? 97 CB 1
   ATOM 771 CG . LEU A 98 ? 23.90377 12.91115 23.20399 1.000 7.96971 C ? A ? 97 CG 1
   ATOM 772 CD1 . LEU A 98 ? 24.58472 14.23978 23.28673 1.000 11.95683 C ? A ? 97 CD1 1
   ATOM 773 CD2 . LEU A 98 ? 24.86649 11.80826 22.79915 1.000 12.25856 C ? A ? 97 CD2 1
   ATOM 774 N . ALA A 99 ? 20.25654 12.75501 23.56581 1.000 8.09977 N ? A ? 98 N 1
   ATOM 775 CA . ALA A 99 ? 19.26342 12.91905 22.50499 1.000 9.12474 C ? A ? 98 CA 1
   ATOM 776 C . ALA A 99 ? 18.17592 13.92568 22.86568 1.000 8.63845 C ? A ? 98 C 1
   ATOM 777 O . ALA A 99 ? 17.67393 14.63510 21.98706 1.000 9.54606 O ? A ? 98 O 1
   ATOM 778 CB . ALA A 99 ? 18.65831 11.55673 22.14394 1.000 9.57918 C ? A ? 98 CB 1
   ATOM 779 N . ALA A 100 ? 17.77302 13.98648 24.13193 1.000 9.26699 N ? A ? 99 N 1
   ATOM 780 CA . ALA A 100 ? 16.74334 14.95805 24.52640 1.000 10.65793 C ? A ? 99 CA 1
   ATOM 781 C . ALA A 100 ? 17.28224 16.38352 24.42108 1.000 9.26197 C ? A ? 99 C 1
   ATOM 782 O . ALA A 100 ? 16.61404 17.29600 23.90702 1.000 10.07243 O ? A ? 99 O 1
   ATOM 783 CB . ALA A 100 ? 16.29251 14.68687 25.95766 1.000 13.82711 C ? A ? 99 CB 1
   ATOM 784 N . ALA A 101 ? 18.52182 16.56615 24.82118 1.000 8.60576 N ? A ? 100 N 1
   ATOM 785 CA . ALA A 101 ? 19.13052 17.87919 24.66183 1.000 10.22800 C ? A ? 100 CA 1
   ATOM 786 C . ALA A 101 ? 19.30236 18.24157 23.19513 1.000 7.39149 C ? A ? 100 C 1
   ATOM 787 O . ALA A 101 ? 19.06327 19.39552 22.78557 1.000 8.57857 O ? A ? 100 O 1
   ATOM 788 CB . ALA A 101 ? 20.47435 17.92691 25.37817 1.000 9.42904 C ? A ? 100 CB 1
   ATOM 789 N . ALA A 102 ? 19.75405 17.25814 22.38567 1.000 8.17708 N ? A ? 101 N 1
   ATOM 790 CA . ALA A 102 ? 19.93620 17.56439 20.97099 1.000 8.36424 C ? A ? 101 CA 1
   ATOM 791 C . ALA A 102 ? 18.58957 17.85975 20.30388 1.000 8.55767 C ? A ? 101 C 1
   ATOM 792 O . ALA A 102 ? 18.49259 18.75366 19.46043 1.000 9.31175 O ? A ? 101 O 1
   ATOM 793 CB . ALA A 102 ? 20.63794 16.39518 20.27176 1.000 8.39009 C ? A ? 101 CB 1
   ATOM 794 N . ALA A 103 ? 17.54261 17.13952 20.69115 1.000 9.44142 N ? A ? 102 N 1
   ATOM 795 CA . ALA A 103 ? 16.24218 17.30528 20.04460 1.000 9.40682 C ? A ? 102 CA 1
   ATOM 796 C . ALA A 103 ? 15.74115 18.71079 20.20634 1.000 8.57082 C ? A ? 102 C 1
   ATOM 797 O . ALA A 103 ? 15.23511 19.30239 19.25252 1.000 11.12752 O ? A ? 102 O 1
   ATOM 798 CB . ALA A 103 ? 15.23194 16.33315 20.62556 1.000 10.07416 C ? A ? 102 CB 1
   ATOM 799 N . THR A 104 ? 15.92496 19.27007 21.39039 1.000 7.70745 N ? A ? 103 N 1
   ATOM 800 CA . THR A 104 ? 15.46917 20.60164 21.73150 1.000 8.21092 C ? A ? 103 CA 1
   ATOM 801 C . THR A 104 ? 16.52632 21.66544 21.52789 1.000 7.43613 C ? A ? 103 C 1
   ATOM 802 O . THR A 104 ? 16.30447 22.84227 21.91274 1.000 9.41729 O ? A ? 103 O 1
   ATOM 803 CB . THR A 104 ? 14.98484 20.62710 23.18506 1.000 10.00512 C ? A ? 103 CB 1
   ATOM 804 OG1 . THR A 104 ? 16.05276 20.23783 24.05052 1.000 10.52003 O ? A ? 103 OG1 1
   ATOM 805 CG2 . THR A 104 ? 13.76981 19.76904 23.38235 1.000 11.16802 C ? A ? 103 CG2 1
   ATOM 806 N . GLY A 105 ? 17.64758 21.35138 20.88825 1.000 9.55894 N ? A ? 104 N 1
   ATOM 807 CA . GLY A 105 ? 18.63890 22.34812 20.54652 1.000 11.72431 C ? A ? 104 CA 1
   ATOM 808 C . GLY A 105 ? 19.42272 22.90746 21.71730 1.000 9.86267 C ? A ? 104 C 1
   ATOM 809 O . GLY A 105 ? 19.91279 24.04023 21.63476 1.000 11.89095 O ? A ? 104 O 1
   ATOM 810 N . GLU A 106 ? 19.54783 22.16365 22.80512 1.000 10.41642 N ? A ? 105 N 1
   ATOM 811 CA . GLU A 106 ? 20.21868 22.66439 24.00220 1.000 11.13383 C ? A ? 105 CA 1
   ATOM 812 C . GLU A 106 ? 21.70683 22.33547 23.89855 1.000 9.02250 C ? A ? 105 C 1
   ATOM 813 O . GLU A 106 ? 22.16224 21.29791 24.39049 1.000 11.25837 O ? A ? 105 O 1
   ATOM 814 CB . GLU A 106 ? 19.60310 22.08893 25.26256 1.000 10.69616 C ? A ? 105 CB 1
   ATOM 815 CG . GLU A 106 ? 18.16670 22.47913 25.48733 1.000 10.91068 C ? A ? 105 CG 1
   ATOM 816 CD . GLU A 106 ? 18.00220 23.90126 25.98788 1.000 12.76890 C ? A ? 105 CD 1
   ATOM 817 OE1 . GLU A 106 ? 19.01713 24.65953 25.97479 1.000 15.70640 O ? A ? 105 OE1 1
   ATOM 818 OE2 . GLU A 106 ? 16.89737 24.26346 26.39954 1.000 12.43594 O ? A ? 105 OE2 1
   ATOM 819 N . ALA A 107 ? 22.47115 23.21093 23.23701 1.000 11.23291 N ? A ? 106 N 1
   ATOM 820 CA . ALA A 107 ? 23.84471 22.86843 22.87138 1.000 11.98709 C ? A ? 106 CA 1
   ATOM 821 C . ALA A 107 ? 24.74508 22.66944 24.08953 1.000 12.47543 C ? A ? 106 C 1
   ATOM 822 O . ALA A 107 ? 25.63914 21.81830 24.06767 1.000 11.32656 O ? A ? 106 O 1
   ATOM 823 CB . ALA A 107 ? 24.45855 23.88947 21.91260 1.000 14.77466 C ? A ? 106 CB 1
   ATOM 824 N . ASN A 108 ? 24.57979 23.46576 25.15121 1.000 12.73408 N ? A ? 107 N 1
   ATOM 825 CA . ASN A 108 ? 25.43326 23.23875 26.32844 1.000 12.58054 C ? A ? 107 CA 1
   ATOM 826 C . ASN A 108 ? 25.18683 21.84944 26.92752 1.000 12.92996 C ? A ? 107 C 1
   ATOM 827 O . ASN A 108 ? 26.12682 21.13857 27.32348 1.000 13.84592 O ? A ? 107 O 1
   ATOM 828 CB . ASN A 108 ? 25.21412 24.30396 27.41847 1.000 16.26358 C ? A ? 107 CB 1
   ATOM 829 CG . ASN A 108 ? 25.59956 25.74220 26.99137 1.000 22.02960 C ? A ? 107 CG 1
   ATOM 830 OD1 . ASN A 108 ? 26.43789 25.95679 26.11630 1.000 19.10968 O ? A ? 107 OD1 1
   ATOM 831 ND2 . ASN A 108 ? 24.97984 26.73201 27.64513 1.000 20.70796 N ? A ? 107 ND2 1
   ATOM 832 N . ALA A 109 ? 23.92020 21.47326 27.04708 1.000 11.79863 N ? A ? 108 N 1
   ATOM 833 CA . ALA A 109 ? 23.57656 20.18533 27.59318 1.000 10.60376 C ? A ? 108 CA 1
   ATOM 834 C . ALA A 109 ? 24.04941 19.07077 26.67473 1.000 10.48863 C ? A ? 108 C 1
   ATOM 835 O . ALA A 109 ? 24.44663 18.01477 27.15573 1.000 11.39443 O ? A ? 108 O 1
   ATOM 836 CB . ALA A 109 ? 22.06960 20.16474 27.80621 1.000 12.06359 C ? A ? 108 CB 1
   ATOM 837 N . VAL A 110 ? 24.00092 19.27234 25.35231 1.000 9.49891 N ? A ? 109 N 1
   ATOM 838 CA . VAL A 110 ? 24.57275 18.30945 24.41439 1.000 10.88557 C ? A ? 109 CA 1
   ATOM 839 C . VAL A 110 ? 26.03952 18.08449 24.70716 1.000 8.63552 C ? A ? 109 C 1
   ATOM 840 O . VAL A 110 ? 26.48113 16.93434 24.81503 1.000 9.60762 O ? A ? 109 O 1
   ATOM 841 CB . VAL A 110 ? 24.38993 18.73167 22.94634 1.000 9.86831 C ? A ? 109 CB 1
   ATOM 842 CG1 . VAL A 110 ? 25.32704 17.96259 21.97749 1.000 10.61168 C ? A ? 109 CG1 1
   ATOM 843 CG2 . VAL A 110 ? 22.93784 18.60486 22.51674 1.000 11.13576 C ? A ? 109 CG2 1
   ATOM 844 N . LYS A 111 ? 26.80569 19.17979 24.83843 1.000 9.75871 N ? A ? 110 N 1
   ATOM 845 CA . LYS A 111 ? 28.23535 19.03291 25.04114 1.000 9.49124 C ? A ? 110 CA 1
   ATOM 846 C . LYS A 111 ? 28.53951 18.25526 26.32240 1.000 9.78439 C ? A ? 110 C 1
   ATOM 847 O . LYS A 111 ? 29.37954 17.33007 26.32660 1.000 9.99734 O ? A ? 110 O 1
   ATOM 848 CB . LYS A 111 ? 28.87123 20.40139 25.04487 1.000 10.34850 C ? A ? 110 CB 1
   ATOM 849 CG . LYS A 111 ? 30.32082 20.41657 25.37667 1.000 12.29800 C ? A ? 110 CG 1
   ATOM 850 CD . LYS A 111 ? 30.86213 21.84732 25.28686 1.000 13.94695 C ? A ? 110 CD 1
   ATOM 851 CE . LYS A 111 ? 32.18765 21.95370 26.01859 1.000 15.23857 C ? A ? 110 CE 1
   ATOM 852 NZ . LYS A 111 ? 32.70069 23.35912 26.00287 1.000 20.85722 N ? A ? 110 NZ 1
   ATOM 853 N . SER A 112 ? 27.82347 18.55679 27.40871 1.000 8.99466 N ? A ? 111 N 1
   ATOM 854 CA . SER A 112 ? 28.07604 17.84255 28.65727 1.000 9.95448 C ? A ? 111 CA 1
   ATOM 855 C . SER A 112 ? 27.58265 16.39149 28.59894 1.000 9.74209 C ? A ? 111 C 1
   ATOM 856 O . SER A 112 ? 28.23116 15.46832 29.11780 1.000 10.73980 O ? A ? 111 O 1
   ATOM 857 CB . SER A 112 ? 27.46360 18.58221 29.83340 1.000 9.98792 C ? A ? 111 CB 1
   ATOM 858 OG . SER A 112 ? 28.13070 19.81710 30.00760 1.000 9.55084 O ? A ? 111 OG 1
   ATOM 859 N . ALA A 113 ? 26.41838 16.15719 28.00017 1.000 10.36275 N ? A ? 112 N 1
   ATOM 860 CA . ALA A 113 ? 25.91418 14.78679 27.89748 1.000 10.68808 C ? A ? 112 CA 1
   ATOM 861 C . ALA A 113 ? 26.82339 13.93083 27.04100 1.000 9.54848 C ? A ? 112 C 1
   ATOM 862 O . ALA A 113 ? 26.96977 12.72509 27.29559 1.000 10.25874 O ? A ? 112 O 1
   ATOM 863 CB . ALA A 113 ? 24.50113 14.80086 27.33191 1.000 12.76205 C ? A ? 112 CB 1
   ATOM 864 N . PHE A 114 ? 27.39683 14.51650 26.00044 1.000 10.21994 N ? A ? 113 N 1
   ATOM 865 CA . PHE A 114 ? 28.31387 13.77113 25.15370 1.000 9.67647 C ? A ? 113 CA 1
   ATOM 866 C . PHE A 114 ? 29.48365 13.22592 25.96404 1.000 8.37866 C ? A ? 113 C 1
   ATOM 867 O . PHE A 114 ? 29.85285 12.05170 25.81421 1.000 8.54269 O ? A ? 113 O 1
   ATOM 868 CB . PHE A 114 ? 28.78907 14.64990 24.01106 1.000 10.87102 C ? A ? 113 CB 1
   ATOM 869 CG . PHE A 114 ? 29.75157 13.97395 23.11860 1.000 11.34842 C ? A ? 113 CG 1
   ATOM 870 CD1 . PHE A 114 ? 29.28978 12.94844 22.28815 1.000 13.24160 C ? A ? 113 CD1 1
   ATOM 871 CD2 . PHE A 114 ? 31.07572 14.32236 23.06508 1.000 11.82818 C ? A ? 113 CD2 1
   ATOM 872 CE1 . PHE A 114 ? 30.13768 12.32867 21.43166 1.000 12.90280 C ? A ? 113 CE1 1
   ATOM 873 CE2 . PHE A 114 ? 31.92994 13.65326 22.20861 1.000 13.55768 C ? A ? 113 CE2 1
   ATOM 874 CZ . PHE A 114 ? 31.42645 12.68029 21.38397 1.000 13.24158 C ? A ? 113 CZ 1
   ATOM 875 N A ALA A 115 ? 30.05225 14.04410 26.85422 0.130 10.25317 N ? A ? 114 N 1
   ATOM 876 CA A ALA A 115 ? 31.14294 13.56898 27.70412 0.130 10.85312 C ? A ? 114 CA 1
   ATOM 877 C A ALA A 115 ? 30.67949 12.44923 28.63236 0.130 10.73309 C ? A ? 114 C 1
   ATOM 878 O A ALA A 115 ? 31.40668 11.47215 28.85828 0.130 10.64556 O ? A ? 114 O 1
   ATOM 879 CB A ALA A 115 ? 31.72778 14.73695 28.49960 0.130 12.46472 C ? A ? 114 CB 1
   ATOM 880 N B ALA A 115 ? 30.05653 14.05333 26.85191 0.870 10.40946 N ? A ? 114 N 1
   ATOM 881 CA B ALA A 115 ? 31.14345 13.56698 27.70838 0.870 10.66969 C ? A ? 114 CA 1
   ATOM 882 C B ALA A 115 ? 30.67184 12.44619 28.64910 0.870 10.46946 C ? A ? 114 C 1
   ATOM 883 O B ALA A 115 ? 31.38027 11.44703 28.86444 0.870 10.93993 O ? A ? 114 O 1
   ATOM 884 CB B ALA A 115 ? 31.75917 14.76137 28.45219 0.870 12.69263 C ? A ? 114 CB 1
   ATOM 885 N . ASP A 116 ? 29.47170 12.57050 29.17920 1.000 10.03378 N ? A ? 115 N 1
   ATOM 886 CA . ASP A 116 ? 28.95147 11.51660 30.05506 1.000 10.87092 C ? A ? 115 CA 1
   ATOM 887 C . ASP A 116 ? 28.67025 10.22322 29.32447 1.000 9.23117 C ? A ? 115 C 1
   ATOM 888 O . ASP A 116 ? 28.84545 9.14290 29.89136 1.000 10.04235 O ? A ? 115 O 1
   ATOM 889 CB . ASP A 116 ? 27.67675 11.99315 30.70330 1.000 13.52067 C ? A ? 115 CB 1
   ATOM 890 CG . ASP A 116 ? 27.92323 13.07838 31.67304 1.000 21.23656 C ? A ? 115 CG 1
   ATOM 891 OD1 . ASP A 116 ? 28.99564 13.05050 32.28904 1.000 30.74619 O ? A ? 115 OD1 1
   ATOM 892 OD2 . ASP A 116 ? 27.06437 13.95214 31.80719 1.000 23.31501 O ? A ? 115 OD2 1
   ATOM 893 N . VAL A 117 ? 28.13813 10.31208 28.09658 1.000 9.46030 N ? A ? 116 N 1
   ATOM 894 CA . VAL A 117 ? 27.99237 9.11203 27.28361 1.000 8.36592 C ? A ? 116 CA 1
   ATOM 895 C . VAL A 117 ? 29.34455 8.48398 27.09045 1.000 8.12387 C ? A ? 116 C 1
   ATOM 896 O . VAL A 117 ? 29.49135 7.28039 27.31141 1.000 8.52100 O ? A ? 116 O 1
   ATOM 897 CB . VAL A 117 ? 27.30956 9.47144 25.94481 1.000 7.61274 C ? A ? 116 CB 1
   ATOM 898 CG1 . VAL A 117 ? 27.32489 8.32456 25.01284 1.000 10.74241 C ? A ? 116 CG1 1
   ATOM 899 CG2 . VAL A 117 ? 25.87866 9.90820 26.17067 1.000 9.98162 C ? A ? 116 CG2 1
   ATOM 900 N . GLY A 118 ? 30.35497 9.26817 26.67754 1.000 10.68851 N ? A ? 117 N 1
   ATOM 901 CA . GLY A 118 ? 31.65899 8.66130 26.44359 1.000 9.36250 C ? A ? 117 CA 1
   ATOM 902 C . GLY A 118 ? 32.22342 7.98283 27.68335 1.000 8.78475 C ? A ? 117 C 1
   ATOM 903 O . GLY A 118 ? 32.83768 6.91538 27.60917 1.000 10.54482 O ? A ? 117 O 1
   ATOM 904 N . ALA A 119 ? 31.98423 8.57587 28.83091 1.000 9.50534 N ? A ? 118 N 1
   ATOM 905 CA . ALA A 119 ? 32.42563 8.01001 30.08716 1.000 10.02469 C ? A ? 118 CA 1
   ATOM 906 C . ALA A 119 ? 31.73750 6.68966 30.34205 1.000 9.45028 C ? A ? 118 C 1
   ATOM 907 O . ALA A 119 ? 32.36054 5.75975 30.88162 1.000 10.55944 O ? A ? 118 O 1
   ATOM 908 CB . ALA A 119 ? 32.17902 9.02943 31.20485 1.000 12.47850 C ? A ? 118 CB 1
   ATOM 909 N . ALA A 120 ? 30.45213 6.57922 30.00583 1.000 8.25339 N ? A ? 119 N 1
   ATOM 910 CA . ALA A 120 ? 29.75199 5.30500 30.18494 1.000 9.20194 C ? A ? 119 CA 1
   ATOM 911 C . ALA A 120 ? 30.30977 4.21993 29.27718 1.000 7.43649 C ? A ? 119 C 1
   ATOM 912 O . ALA A 120 ? 30.37623 3.05595 29.67922 1.000 8.23619 O ? A ? 119 O 1
   ATOM 913 CB . ALA A 120 ? 28.24792 5.49146 29.98863 1.000 9.40969 C ? A ? 119 CB 1
   ATOM 914 N . CYS A 121 ? 30.65177 4.54680 28.02461 1.000 8.56848 N ? A ? 120 N 1
   ATOM 915 CA . CYS A 121 ? 31.26780 3.53499 27.16312 1.000 9.02241 C ? A ? 120 CA 1
   ATOM 916 C . CYS A 121 ? 32.54298 3.00416 27.81794 1.000 8.88323 C ? A ? 120 C 1
   ATOM 917 O . CYS A 121 ? 32.75774 1.78669 27.92159 1.000 9.70794 O ? A ? 120 O 1
   ATOM 918 CB . CYS A 121 ? 31.66435 4.13996 25.79875 1.000 9.87289 C ? A ? 120 CB 1
   ATOM 919 SG . CYS A 121 ? 30.44570 5.20690 24.93496 1.000 9.64729 S ? A ? 120 SG 1
   ATOM 920 N A LYS A 122 ? 33.40802 3.91987 28.27178 0.399 9.87353 N ? A ? 121 N 1
   ATOM 921 CA A LYS A 122 ? 34.70059 3.51491 28.81159 0.399 10.17483 C ? A ? 121 CA 1
   ATOM 922 C A LYS A 122 ? 34.55971 2.77924 30.14430 0.399 10.05496 C ? A ? 121 C 1
   ATOM 923 O A LYS A 122 ? 35.33930 1.86097 30.42684 0.399 11.15551 O ? A ? 121 O 1
   ATOM 924 CB A LYS A 122 ? 35.64254 4.72340 28.92613 0.399 12.27634 C ? A ? 121 CB 1
   ATOM 925 CG A LYS A 122 ? 35.94318 5.39349 27.59803 0.399 17.10550 C ? A ? 121 CG 1
   ATOM 926 CD A LYS A 122 ? 37.34644 5.98165 27.53683 0.399 20.46728 C ? A ? 121 CD 1
   ATOM 927 CE A LYS A 122 ? 37.54290 7.06270 28.57089 0.399 31.16863 C ? A ? 121 CE 1
   ATOM 928 NZ A LYS A 122 ? 38.83600 7.76676 28.35549 0.399 41.83128 N ? A ? 121 NZ 1
   ATOM 929 N B LYS A 122 ? 33.38082 3.93194 28.28832 0.601 10.00940 N ? A ? 121 N 1
   ATOM 930 CA B LYS A 122 ? 34.67818 3.60394 28.85413 0.601 10.01430 C ? A ? 121 CA 1
   ATOM 931 C B LYS A 122 ? 34.53501 2.78285 30.12416 0.601 10.07244 C ? A ? 121 C 1
   ATOM 932 O B LYS A 122 ? 35.28722 1.82421 30.34421 0.601 11.41063 O ? A ? 121 O 1
   ATOM 933 CB B LYS A 122 ? 35.40935 4.90893 29.18065 0.601 11.92928 C ? A ? 121 CB 1
   ATOM 934 CG B LYS A 122 ? 36.77151 4.71485 29.78396 0.601 19.88792 C ? A ? 121 CG 1
   ATOM 935 CD B LYS A 122 ? 37.60532 5.98203 29.76668 0.601 23.15299 C ? A ? 121 CD 1
   ATOM 936 CE B LYS A 122 ? 38.27075 6.17664 28.41955 0.601 33.97472 C ? A ? 121 CE 1
   ATOM 937 NZ B LYS A 122 ? 39.34597 5.16821 28.18319 0.601 44.56209 N ? A ? 121 NZ 1
   ATOM 938 N . ALA A 123 ? 33.54990 3.10516 30.94907 1.000 10.71248 N ? A ? 122 N 1
   ATOM 939 CA . ALA A 123 ? 33.39199 2.40117 32.21998 1.000 10.51170 C ? A ? 122 CA 1
   ATOM 940 C . ALA A 123 ? 33.14215 0.92110 31.98608 1.000 9.56570 C ? A ? 122 C 1
   ATOM 941 O . ALA A 123 ? 33.69883 0.06096 32.68562 1.000 11.26716 O ? A ? 122 O 1
   ATOM 942 CB . ALA A 123 ? 32.25922 3.01748 33.03645 1.000 10.94425 C ? A ? 122 CB 1
   ATOM 943 N . CYS A 124 ? 32.31472 0.58917 30.99362 1.000 10.17316 N ? A ? 123 N 1
   ATOM 944 CA . CYS A 124 ? 32.05652 -0.79977 30.70343 1.000 8.91950 C ? A ? 123 CA 1
   ATOM 945 C . CYS A 124 ? 33.26079 -1.46240 30.06928 1.000 8.28874 C ? A ? 123 C 1
   ATOM 946 O . CYS A 124 ? 33.62537 -2.57059 30.44473 1.000 8.92703 O ? A ? 123 O 1
   ATOM 947 CB . CYS A 124 ? 30.82139 -0.92361 29.82848 1.000 10.50449 C ? A ? 123 CB 1
   ATOM 948 SG . CYS A 124 ? 30.45614 -2.67701 29.55860 1.000 9.15626 S ? A ? 123 SG 1
   ATOM 949 N . HIS A 125 ? 33.90899 -0.78473 29.11590 1.000 8.64840 N ? A ? 124 N 1
   ATOM 950 CA . HIS A 125 ? 35.07988 -1.35760 28.47509 1.000 9.62392 C ? A ? 124 CA 1
   ATOM 951 C . HIS A 125 ? 36.15025 -1.70924 29.48266 1.000 9.21831 C ? A ? 124 C 1
   ATOM 952 O . HIS A 125 ? 36.75352 -2.78428 29.39834 1.000 10.68374 O ? A ? 124 O 1
   ATOM 953 CB . HIS A 125 ? 35.65324 -0.41876 27.43409 1.000 9.92637 C ? A ? 124 CB 1
   ATOM 954 CG . HIS A 125 ? 34.74192 -0.23744 26.26135 1.000 8.54500 C ? A ? 124 CG 1
   ATOM 955 ND1 . HIS A 125 ? 34.88501 0.79345 25.36735 1.000 9.82395 N ? A ? 124 ND1 1
   ATOM 956 CD2 . HIS A 125 ? 33.66978 -0.95619 25.84504 1.000 8.62049 C ? A ? 124 CD2 1
   ATOM 957 CE1 . HIS A 125 ? 33.93731 0.70270 24.44144 1.000 11.20118 C ? A ? 124 CE1 1
   ATOM 958 NE2 . HIS A 125 ? 33.18122 -0.35057 24.70529 1.000 8.36948 N ? A ? 124 NE2 1
   ATOM 959 N . GLN A 126 ? 36.38737 -0.82204 30.44092 1.000 9.72954 N ? A ? 125 N 1
   ATOM 960 CA . GLN A 126 ? 37.49230 -1.04981 31.37750 1.000 10.80947 C ? A ? 125 CA 1
   ATOM 961 C . GLN A 126 ? 37.31229 -2.32595 32.16380 1.000 10.98020 C ? A ? 125 C 1
   ATOM 962 O . GLN A 126 ? 38.27971 -3.06848 32.39328 1.000 13.38026 O ? A ? 125 O 1
   ATOM 963 CB . GLN A 126 ? 37.67182 0.13572 32.30287 1.000 12.41480 C ? A ? 125 CB 1
   ATOM 964 CG . GLN A 126 ? 38.33923 1.27261 31.57986 1.000 15.77938 C ? A ? 125 CG 1
   ATOM 965 CD . GLN A 126 ? 38.19708 2.58695 32.32030 1.000 28.87955 C ? A ? 125 CD 1
   ATOM 966 OE1 . GLN A 126 ? 37.58726 2.63955 33.38614 1.000 37.18176 O ? A ? 125 OE1 1
   ATOM 967 NE2 . GLN A 126 ? 38.75206 3.65903 31.75375 1.000 33.85301 N ? A ? 125 NE2 1
   ATOM 968 N . LYS A 127 ? 36.07446 -2.63648 32.54498 1.000 9.27059 N ? A ? 126 N 1
   ATOM 969 CA . LYS A 127 ? 35.81410 -3.87595 33.26080 1.000 10.00678 C ? A ? 126 CA 1
   ATOM 970 C . LYS A 127 ? 35.69082 -5.08963 32.36297 1.000 10.35705 C ? A ? 126 C 1
   ATOM 971 O . LYS A 127 ? 36.04506 -6.19911 32.77597 1.000 12.51060 O ? A ? 126 O 1
   ATOM 972 CB . LYS A 127 ? 34.53055 -3.75068 34.07706 1.000 12.25674 C ? A ? 126 CB 1
   ATOM 973 CG . LYS A 127 ? 34.62076 -2.95457 35.34199 1.000 13.40357 C ? A ? 126 CG 1
   ATOM 974 CD . LYS A 127 ? 33.24628 -2.82807 35.98177 1.000 15.66492 C ? A ? 126 CD 1
   ATOM 975 CE . LYS A 127 ? 33.29001 -2.21828 37.37686 1.000 16.07707 C ? A ? 126 CE 1
   ATOM 976 NZ . LYS A 127 ? 31.90533 -1.95767 37.84838 1.000 16.91721 N ? A ? 126 NZ 1
   ATOM 977 N . TYR A 128 ? 35.06642 -4.94096 31.19869 1.000 10.10395 N ? A ? 127 N 1
   ATOM 978 CA . TYR A 128 ? 34.47662 -6.09032 30.54222 1.000 10.12958 C ? A ? 127 CA 1
   ATOM 979 C . TYR A 128 ? 34.87354 -6.29551 29.08475 1.000 10.50372 C ? A ? 127 C 1
   ATOM 980 O . TYR A 128 ? 34.42329 -7.28327 28.50791 1.000 11.54020 O ? A ? 127 O 1
   ATOM 981 CB . TYR A 128 ? 32.94775 -6.06108 30.65984 1.000 10.57348 C ? A ? 127 CB 1
   ATOM 982 CG . TYR A 128 ? 32.45587 -6.06878 32.09423 1.000 10.87305 C ? A ? 127 CG 1
   ATOM 983 CD1 . TYR A 128 ? 32.86464 -7.06721 32.97240 1.000 11.42840 C ? A ? 127 CD1 1
   ATOM 984 CD2 . TYR A 128 ? 31.62836 -5.03647 32.58142 1.000 11.49840 C ? A ? 127 CD2 1
   ATOM 985 CE1 . TYR A 128 ? 32.43135 -7.06440 34.28506 1.000 11.64587 C ? A ? 127 CE1 1
   ATOM 986 CE2 . TYR A 128 ? 31.16599 -5.05244 33.89520 1.000 10.90983 C ? A ? 127 CE2 1
   ATOM 987 CZ . TYR A 128 ? 31.59256 -6.06620 34.74971 1.000 11.96696 C ? A ? 127 CZ 1
   ATOM 988 OH . TYR A 128 ? 31.19574 -6.12700 36.08002 1.000 12.69512 O ? A ? 127 OH 1
   ATOM 989 N . ARG A 129 ? 35.67685 -5.41779 28.47089 1.000 10.64719 N ? A ? 128 N 1
   ATOM 990 CA . ARG A 129 ? 36.12200 -5.61018 27.09385 1.000 11.08605 C ? A ? 128 CA 1
   ATOM 991 C . ARG A 129 ? 37.59539 -6.01415 27.06332 1.000 9.51334 C ? A ? 128 C 1
   ATOM 992 O . ARG A 129 ? 38.42525 -5.38295 27.74306 1.000 12.08994 O ? A ? 128 O 1
   ATOM 993 CB . ARG A 129 ? 35.89346 -4.36333 26.26195 1.000 9.12346 C ? A ? 128 CB 1
   ATOM 994 CG . ARG A 129 ? 36.15795 -4.55487 24.77916 1.000 10.17823 C ? A ? 128 CG 1
   ATOM 995 CD . ARG A 129 ? 35.76935 -3.37180 23.95021 1.000 10.26397 C ? A ? 128 CD 1
   ATOM 996 NE . ARG A 129 ? 36.71794 -2.28811 24.12554 1.000 10.70895 N ? A ? 128 NE 1
   ATOM 997 CZ . ARG A 129 ? 36.79048 -1.26210 23.30337 1.000 10.42634 C ? A ? 128 CZ 1
   ATOM 998 NH1 . ARG A 129 ? 35.88100 -1.06332 22.35707 1.000 13.34646 N ? A ? 128 NH1 1
   ATOM 999 NH2 . ARG A 129 ? 37.80177 -0.41488 23.42186 1.000 12.53868 N ? A ? 128 NH2 1
   ATOM 1000 N . ALA A 130 ? 37.92126 -7.04268 26.28039 1.000 9.99006 N ? A ? 129 N 1
   ATOM 1001 CA . ALA A 130 ? 39.30778 -7.50292 26.11531 1.000 11.56329 C ? A ? 129 CA 1
   ATOM 1002 C . ALA A 130 ? 39.99626 -6.53501 25.14032 1.000 11.74147 C ? A ? 129 C 1
   ATOM 1003 O . ALA A 130 ? 39.94148 -6.70298 23.90933 1.000 12.35994 O ? A ? 129 O 1
   ATOM 1004 CB . ALA A 130 ? 39.33025 -8.94521 25.63685 1.000 13.11841 C ? A ? 129 CB 1
   ATOM 1005 N . ASP A 131 ? 40.67322 -5.53280 25.69846 1.000 12.76373 N ? A ? 130 N 1
   ATOM 1006 CA . ASP A 131 ? 41.40197 -4.55977 24.90594 1.000 12.45650 C ? A ? 130 CA 1
   ATOM 1007 C . ASP A 131 ? 42.73067 -4.21247 25.58511 1.000 14.08026 C ? A ? 130 C 1
   ATOM 1008 O . ASP A 131 ? 43.36431 -3.22334 25.21305 1.000 14.16514 O ? A ? 130 O 1
   ATOM 1009 CB . ASP A 131 ? 40.52352 -3.31706 24.66806 1.000 12.67838 C ? A ? 130 CB 1
   ATOM 1010 CG . ASP A 131 ? 40.05908 -2.66101 25.95203 1.000 13.30847 C ? A ? 130 CG 1
   ATOM 1011 OD1 . ASP A 131 ? 40.75825 -2.79474 26.96378 1.000 13.97390 O ? A ? 130 OD1 1
   ATOM 1012 OD2 . ASP A 131 ? 38.93953 -2.05745 25.97203 1.000 12.06606 O ? A ? 130 OD2 1
   ATOM 1013 N . ALA B 1 ? 40.79814 11.07973 10.57174 1.000 149.26557 N ? B ? 1 N 1
   ATOM 1014 CA . ALA B 1 ? 39.47685 10.75276 11.09329 1.000 150.77946 C ? B ? 1 CA 1
   ATOM 1015 C . ALA B 1 ? 38.53415 10.29202 9.98216 1.000 158.62814 C ? B ? 1 C 1
   ATOM 1016 O . ALA B 1 ? 37.43150 9.81876 10.24898 1.000 194.04173 O ? B ? 1 O 1
   ATOM 1017 CB . ALA B 1 ? 38.88928 11.94598 11.83087 1.000 141.58001 C ? B ? 1 CB 1
   ATOM 1018 N . ASP B 2 ? 38.97768 10.43257 8.73715 1.000 121.63129 N ? B ? 2 N 1
   ATOM 1019 CA . ASP B 2 ? 38.17214 10.03094 7.59204 1.000 86.24423 C ? B ? 2 CA 1
   ATOM 1020 C . ASP B 2 ? 38.13245 8.51358 7.49932 1.000 50.00825 C ? B ? 2 C 1
   ATOM 1021 O . ASP B 2 ? 39.17995 7.87162 7.43740 1.000 38.47016 O ? B ? 2 O 1
   ATOM 1022 CB . ASP B 2 ? 38.83506 10.57013 6.33041 1.000 95.24488 C ? B ? 2 CB 1
   ATOM 1023 CG . ASP B 2 ? 37.87146 10.70570 5.17797 1.000 104.03387 C ? B ? 2 CG 1
   ATOM 1024 OD1 . ASP B 2 ? 36.86509 11.43046 5.31517 1.000 105.67329 O ? B ? 2 OD1 1
   ATOM 1025 OD2 . ASP B 2 ? 38.12754 10.10285 4.12167 1.000 109.09048 O ? B ? 2 OD2 1
   ATOM 1026 N A LEU B 3 ? 36.92878 7.93736 7.46781 0.779 30.22197 N ? B ? 3 N 1
   ATOM 1027 CA A LEU B 3 ? 36.81880 6.48478 7.37990 0.779 21.65393 C ? B ? 3 CA 1
   ATOM 1028 C A LEU B 3 ? 37.42669 5.98315 6.08396 0.779 17.26116 C ? B ? 3 C 1
   ATOM 1029 O A LEU B 3 ? 37.07759 6.45033 4.99897 0.779 17.61592 O ? B ? 3 O 1
   ATOM 1030 CB A LEU B 3 ? 35.35422 6.04052 7.45439 0.779 17.15062 C ? B ? 3 CB 1
   ATOM 1031 CG A LEU B 3 ? 34.73536 5.86187 8.83402 0.779 17.01223 C ? B ? 3 CG 1
   ATOM 1032 CD1 A LEU B 3 ? 34.65048 7.13705 9.66645 0.779 24.30733 C ? B ? 3 CD1 1
   ATOM 1033 CD2 A LEU B 3 ? 33.37013 5.20961 8.65014 0.779 15.21971 C ? B ? 3 CD2 1
   ATOM 1034 N B LEU B 3 ? 36.92997 7.93986 7.47028 0.221 30.35838 N ? B ? 3 N 1
   ATOM 1035 CA B LEU B 3 ? 36.80876 6.48849 7.38925 0.221 21.58320 C ? B ? 3 CA 1
   ATOM 1036 C B LEU B 3 ? 37.40091 5.97100 6.08558 0.221 16.82997 C ? B ? 3 C 1
   ATOM 1037 O B LEU B 3 ? 37.03251 6.42728 5.00038 0.221 16.91471 O ? B ? 3 O 1
   ATOM 1038 CB B LEU B 3 ? 35.33956 6.07142 7.48359 0.221 16.99789 C ? B ? 3 CB 1
   ATOM 1039 CG B LEU B 3 ? 34.65898 6.26297 8.83514 0.221 18.26552 C ? B ? 3 CG 1
   ATOM 1040 CD1 B LEU B 3 ? 33.25186 5.69317 8.80073 0.221 17.45364 C ? B ? 3 CD1 1
   ATOM 1041 CD2 B LEU B 3 ? 35.48180 5.61210 9.93221 0.221 21.58319 C ? B ? 3 CD2 1
   ATOM 1042 N . SER B 4 ? 38.31589 5.00328 6.19535 1.000 14.37773 N ? B ? 4 N 1
   ATOM 1043 CA . SER B 4 ? 38.84407 4.33197 5.02955 1.000 15.52331 C ? B ? 4 CA 1
   ATOM 1044 C . SER B 4 ? 37.72534 3.57668 4.32304 1.000 14.55474 C ? B ? 4 C 1
   ATOM 1045 O . SER B 4 ? 36.66397 3.32906 4.90940 1.000 13.59507 O ? B ? 4 O 1
   ATOM 1046 CB . SER B 4 ? 39.90167 3.32955 5.46666 1.000 14.20832 C ? B ? 4 CB 1
   ATOM 1047 OG . SER B 4 ? 39.24911 2.28621 6.19998 1.000 15.59783 O ? B ? 4 OG 1
   ATOM 1048 N . PRO B 5 ? 37.94653 3.16133 3.08847 1.000 14.03443 N ? B ? 5 N 1
   ATOM 1049 CA . PRO B 5 ? 36.93354 2.34184 2.41327 1.000 15.13103 C ? B ? 5 CA 1
   ATOM 1050 C . PRO B 5 ? 36.54914 1.09309 3.19604 1.000 14.06402 C ? B ? 5 C 1
   ATOM 1051 O . PRO B 5 ? 35.35533 0.75084 3.29611 1.000 11.82884 O ? B ? 5 O 1
   ATOM 1052 CB . PRO B 5 ? 37.59447 2.04397 1.05950 1.000 18.14955 C ? B ? 5 CB 1
   ATOM 1053 CG . PRO B 5 ? 38.47089 3.24364 0.80895 1.000 19.64733 C ? B ? 5 CG 1
   ATOM 1054 CD . PRO B 5 ? 39.03231 3.56181 2.16654 1.000 19.50260 C ? B ? 5 CD 1
   ATOM 1055 N . GLU B 6 ? 37.53288 0.40503 3.77091 1.000 13.73294 N ? B ? 6 N 1
   ATOM 1056 CA . GLU B 6 ? 37.23381 -0.75821 4.59139 1.000 12.57071 C ? B ? 6 CA 1
   ATOM 1057 C . GLU B 6 ? 36.31061 -0.39878 5.75048 1.000 11.61945 C ? B ? 6 C 1
   ATOM 1058 O . GLU B 6 ? 35.33029 -1.10820 6.02644 1.000 11.84473 O ? B ? 6 O 1
   ATOM 1059 CB . GLU B 6 ? 38.52680 -1.40894 5.11237 1.000 15.37950 C ? B ? 6 CB 1
   ATOM 1060 CG . GLU B 6 ? 38.23633 -2.47714 6.16337 1.000 18.77503 C ? B ? 6 CG 1
   ATOM 1061 CD . GLU B 6 ? 39.49118 -3.10088 6.72873 1.000 30.35273 C ? B ? 6 CD 1
   ATOM 1062 OE1 . GLU B 6 ? 39.56142 -3.38100 7.93884 1.000 40.47956 O ? B ? 6 OE1 1
   ATOM 1063 OE2 . GLU B 6 ? 40.42805 -3.30729 5.94873 1.000 27.03381 O ? B ? 6 OE2 1
   ATOM 1064 N . GLU B 7 ? 36.60338 0.69729 6.43039 1.000 11.87267 N ? B ? 7 N 1
   ATOM 1065 CA . GLU B 7 ? 35.78033 1.10097 7.56142 1.000 11.13788 C ? B ? 7 CA 1
   ATOM 1066 C . GLU B 7 ? 34.38480 1.51125 7.11160 1.000 9.85687 C ? B ? 7 C 1
   ATOM 1067 O . GLU B 7 ? 33.42080 1.29325 7.85085 1.000 10.27716 O ? B ? 7 O 1
   ATOM 1068 CB . GLU B 7 ? 36.45947 2.23419 8.33681 1.000 12.28299 C ? B ? 7 CB 1
   ATOM 1069 CG . GLU B 7 ? 37.70709 1.75492 9.03900 1.000 12.50382 C ? B ? 7 CG 1
   ATOM 1070 CD . GLU B 7 ? 38.49834 2.89148 9.56941 1.000 18.96578 C ? B ? 7 CD 1
   ATOM 1071 OE1 . GLU B 7 ? 38.85931 2.83245 10.75536 1.000 25.81038 O ? B ? 7 OE1 1
   ATOM 1072 OE2 . GLU B 7 ? 38.73398 3.87177 8.82808 1.000 23.98493 O ? B ? 7 OE2 1
   ATOM 1073 N . GLN B 8 ? 34.25882 2.15489 5.94725 1.000 10.61931 N ? B ? 8 N 1
   ATOM 1074 CA . GLN B 8 ? 32.93757 2.53142 5.46256 1.000 8.90340 C ? B ? 8 CA 1
   ATOM 1075 C . GLN B 8 ? 32.10725 1.28381 5.20446 1.000 10.42565 C ? B ? 8 C 1
   ATOM 1076 O . GLN B 8 ? 30.91845 1.25038 5.55329 1.000 10.18276 O ? B ? 8 O 1
   ATOM 1077 CB . GLN B 8 ? 33.05869 3.34994 4.18461 1.000 12.29632 C ? B ? 8 CB 1
   ATOM 1078 CG . GLN B 8 ? 33.58330 4.72746 4.39988 1.000 11.40068 C ? B ? 8 CG 1
   ATOM 1079 CD . GLN B 8 ? 33.78285 5.45300 3.09256 1.000 14.63165 C ? B ? 8 CD 1
   ATOM 1080 OE1 . GLN B 8 ? 32.83308 5.64236 2.33175 1.000 15.39837 O ? B ? 8 OE1 1
   ATOM 1081 NE2 . GLN B 8 ? 35.04063 5.78076 2.77433 1.000 19.25361 N ? B ? 8 NE2 1
   ATOM 1082 N . ILE B 9 ? 32.70486 0.25605 4.59683 1.000 10.62082 N ? B ? 9 N 1
   ATOM 1083 CA . ILE B 9 ? 31.98281 -0.98864 4.32462 1.000 10.68397 C ? B ? 9 CA 1
   ATOM 1084 C . ILE B 9 ? 31.55546 -1.64314 5.63044 1.000 8.75134 C ? B ? 9 C 1
   ATOM 1085 O . ILE B 9 ? 30.39169 -1.99328 5.81624 1.000 9.59014 O ? B ? 9 O 1
   ATOM 1086 CB . ILE B 9 ? 32.83917 -1.95640 3.48998 1.000 11.30409 C ? B ? 9 CB 1
   ATOM 1087 CG1 . ILE B 9 ? 33.07121 -1.40854 2.06503 1.000 12.10692 C ? B ? 9 CG1 1
   ATOM 1088 CG2 . ILE B 9 ? 32.18093 -3.30829 3.41290 1.000 12.06740 C ? B ? 9 CG2 1
   ATOM 1089 CD1 . ILE B 9 ? 34.14553 -2.19091 1.31931 1.000 14.56043 C ? B ? 9 CD1 1
   ATOM 1090 N . GLU B 10 ? 32.47681 -1.74276 6.58021 1.000 9.45116 N ? B ? 10 N 1
   ATOM 1091 CA . GLU B 10 ? 32.12401 -2.35554 7.85002 1.000 9.95279 C ? B ? 10 CA 1
   ATOM 1092 C . GLU B 10 ? 31.04788 -1.55183 8.56594 1.000 8.96422 C ? B ? 10 C 1
   ATOM 1093 O . GLU B 10 ? 30.17369 -2.13717 9.21536 1.000 8.97964 O ? B ? 10 O 1
   ATOM 1094 CB . GLU B 10 ? 33.36633 -2.47580 8.70888 1.000 10.91405 C ? B ? 10 CB 1
   ATOM 1095 CG . GLU B 10 ? 34.31608 -3.49864 8.12969 1.000 14.21697 C ? B ? 10 CG 1
   ATOM 1096 CD . GLU B 10 ? 35.61448 -3.58104 8.87098 1.000 43.24654 C ? B ? 10 CD 1
   ATOM 1097 OE1 . GLU B 10 ? 36.03902 -2.53941 9.39778 1.000 40.06449 O ? B ? 10 OE1 1
   ATOM 1098 OE2 . GLU B 10 ? 36.20959 -4.67720 8.92619 1.000 44.50057 O ? B ? 10 OE2 1
   ATOM 1099 N . THR B 11 ? 31.12461 -0.23112 8.51289 1.000 8.04162 N ? B ? 11 N 1
   ATOM 1100 CA . THR B 11 ? 30.16411 0.57011 9.25847 1.000 7.85049 C ? B ? 11 CA 1
   ATOM 1101 C . THR B 11 ? 28.78046 0.45247 8.63940 1.000 8.78911 C ? B ? 11 C 1
   ATOM 1102 O . THR B 11 ? 27.78086 0.40565 9.37082 1.000 8.32356 O ? B ? 11 O 1
   ATOM 1103 CB . THR B 11 ? 30.64033 2.00875 9.37117 1.000 9.64901 C ? B ? 11 CB 1
   ATOM 1104 OG1 . THR B 11 ? 31.93948 2.02033 10.00994 1.000 11.11465 O ? B ? 11 OG1 1
   ATOM 1105 CG2 . THR B 11 ? 29.68201 2.87678 10.22125 1.000 10.75377 C ? B ? 11 CG2 1
   ATOM 1106 N . ARG B 12 ? 28.68250 0.51919 7.29555 1.000 8.67765 N ? B ? 12 N 1
   ATOM 1107 CA . ARG B 12 ? 27.34967 0.40444 6.71866 1.000 7.70675 C ? B ? 12 CA 1
   ATOM 1108 C . ARG B 12 ? 26.78096 -0.95314 6.99423 1.000 6.93418 C ? B ? 12 C 1
   ATOM 1109 O . ARG B 12 ? 25.59960 -1.09523 7.31094 1.000 8.34643 O ? B ? 12 O 1
   ATOM 1110 CB . ARG B 12 ? 27.34647 0.79329 5.21759 1.000 7.97753 C ? B ? 12 CB 1
   ATOM 1111 CG . ARG B 12 ? 28.03537 -0.22338 4.29023 1.000 8.37533 C ? B ? 12 CG 1
   ATOM 1112 CD . ARG B 12 ? 28.47049 0.48525 3.00410 1.000 10.02839 C ? B ? 12 CD 1
   ATOM 1113 NE . ARG B 12 ? 28.94555 -0.42226 1.97711 1.000 10.41074 N ? B ? 12 NE 1
   ATOM 1114 CZ . ARG B 12 ? 29.64943 -0.04869 0.91301 1.000 11.01497 C ? B ? 12 CZ 1
   ATOM 1115 NH1 . ARG B 12 ? 30.05982 1.20171 0.75793 1.000 11.33828 N ? B ? 12 NH1 1
   ATOM 1116 NH2 . ARG B 12 ? 29.93968 -0.95979 -0.01445 1.000 11.90296 N ? B ? 12 NH2 1
   ATOM 1117 N . GLN B 13 ? 27.60769 -2.01188 6.90744 1.000 7.86227 N ? B ? 13 N 1
   ATOM 1118 CA . GLN B 13 ? 27.13708 -3.34160 7.22822 1.000 8.09740 C ? B ? 13 CA 1
   ATOM 1119 C . GLN B 13 ? 26.61665 -3.41309 8.65530 1.000 9.00080 C ? B ? 13 C 1
   ATOM 1120 O . GLN B 13 ? 25.61310 -4.07180 8.92138 1.000 8.86451 O ? B ? 13 O 1
   ATOM 1121 CB . GLN B 13 ? 28.25801 -4.37989 7.01213 1.000 9.56670 C ? B ? 13 CB 1
   ATOM 1122 CG . GLN B 13 ? 28.54128 -4.59800 5.51893 1.000 8.66122 C ? B ? 13 CG 1
   ATOM 1123 CD . GLN B 13 ? 29.76969 -5.44632 5.28067 1.000 10.02805 C ? B ? 13 CD 1
   ATOM 1124 OE1 . GLN B 13 ? 30.61029 -5.62884 6.17497 1.000 13.86849 O ? B ? 13 OE1 1
   ATOM 1125 NE2 . GLN B 13 ? 29.91033 -5.92105 4.05309 1.000 11.31515 N ? B ? 13 NE2 1
   ATOM 1126 N . ALA B 14 ? 27.30412 -2.77076 9.59196 1.000 7.96030 N ? B ? 14 N 1
   ATOM 1127 CA . ALA B 14 ? 26.84831 -2.75013 10.98514 1.000 7.67175 C ? B ? 14 CA 1
   ATOM 1128 C . ALA B 14 ? 25.47431 -2.08477 11.10151 1.000 7.46828 C ? B ? 14 C 1
   ATOM 1129 O . ALA B 14 ? 24.59831 -2.54837 11.84521 1.000 8.72595 O ? B ? 14 O 1
   ATOM 1130 CB . ALA B 14 ? 27.86920 -1.99328 11.85245 1.000 9.18110 C ? B ? 14 CB 1
   ATOM 1131 N . GLY B 15 ? 25.28233 -0.95480 10.43512 1.000 7.66147 N ? B ? 15 N 1
   ATOM 1132 CA . GLY B 15 ? 23.96801 -0.31791 10.51632 1.000 8.13305 C ? B ? 15 CA 1
   ATOM 1133 C . GLY B 15 ? 22.84618 -1.18966 9.97127 1.000 7.29942 C ? B ? 15 C 1
   ATOM 1134 O . GLY B 15 ? 21.79354 -1.31356 10.57340 1.000 7.95987 O ? B ? 15 O 1
   ATOM 1135 N . TYR B 16 ? 23.08926 -1.85209 8.82363 1.000 8.54169 N ? B ? 16 N 1
   ATOM 1136 CA . TYR B 16 ? 22.07622 -2.75201 8.26833 1.000 7.90424 C ? B ? 16 CA 1
   ATOM 1137 C . TYR B 16 ? 21.79753 -3.91577 9.18820 1.000 8.07288 C ? B ? 16 C 1
   ATOM 1138 O . TYR B 16 ? 20.63844 -4.25866 9.41582 1.000 8.57472 O ? B ? 16 O 1
   ATOM 1139 CB . TYR B 16 ? 22.47356 -3.25314 6.88000 1.000 9.30962 C ? B ? 16 CB 1
   ATOM 1140 CG . TYR B 16 ? 22.57878 -2.19027 5.83070 1.000 8.86156 C ? B ? 16 CG 1
   ATOM 1141 CD1 . TYR B 16 ? 21.52850 -1.26713 5.57721 1.000 10.24948 C ? B ? 16 CD1 1
   ATOM 1142 CD2 . TYR B 16 ? 23.74355 -2.05689 5.09173 1.000 9.65130 C ? B ? 16 CD2 1
   ATOM 1143 CE1 . TYR B 16 ? 21.65571 -0.26858 4.62837 1.000 9.84504 C ? B ? 16 CE1 1
   ATOM 1144 CE2 . TYR B 16 ? 23.86488 -1.04760 4.15414 1.000 9.89498 C ? B ? 16 CE2 1
   ATOM 1145 CZ . TYR B 16 ? 22.83477 -0.15702 3.92608 1.000 10.01629 C ? B ? 16 CZ 1
   ATOM 1146 OH . TYR B 16 ? 22.99058 0.88752 3.01346 1.000 10.49400 O ? B ? 16 OH 1
   ATOM 1147 N . ALA B 17 ? 22.84491 -4.54137 9.73663 1.000 8.00833 N ? B ? 17 N 1
   ATOM 1148 CA . ALA B 17 ? 22.66261 -5.68075 10.62299 1.000 8.70821 C ? B ? 17 CA 1
   ATOM 1149 C . ALA B 17 ? 21.86157 -5.27497 11.84601 1.000 8.27399 C ? B ? 17 C 1
   ATOM 1150 O . ALA B 17 ? 21.00537 -6.04597 12.31440 1.000 8.46732 O ? B ? 17 O 1
   ATOM 1151 CB . ALA B 17 ? 24.01561 -6.21324 11.05991 1.000 10.44607 C ? B ? 17 CB 1
   ATOM 1152 N . PHE B 18 ? 22.13185 -4.08229 12.38228 1.000 8.08209 N ? B ? 18 N 1
   ATOM 1153 CA . PHE B 18 ? 21.44985 -3.70175 13.60663 1.000 8.44955 C ? B ? 18 CA 1
   ATOM 1154 C . PHE B 18 ? 20.00898 -3.32348 13.33994 1.000 8.75758 C ? B ? 18 C 1
   ATOM 1155 O . PHE B 18 ? 19.11811 -3.65567 14.14684 1.000 8.86924 O ? B ? 18 O 1
   ATOM 1156 CB . PHE B 18 ? 22.21104 -2.59284 14.35174 1.000 9.80504 C ? B ? 18 CB 1
   ATOM 1157 CG . PHE B 18 ? 21.98903 -2.62748 15.82853 1.000 8.89042 C ? B ? 18 CG 1
   ATOM 1158 CD1 . PHE B 18 ? 22.58945 -3.61936 16.57962 1.000 9.02225 C ? B ? 18 CD1 1
   ATOM 1159 CD2 . PHE B 18 ? 21.15320 -1.74301 16.47028 1.000 7.59320 C ? B ? 18 CD2 1
   ATOM 1160 CE1 . PHE B 18 ? 22.37571 -3.73153 17.94704 1.000 8.78053 C ? B ? 18 CE1 1
   ATOM 1161 CE2 . PHE B 18 ? 20.93383 -1.83223 17.81859 1.000 8.44832 C ? B ? 18 CE2 1
   ATOM 1162 CZ . PHE B 18 ? 21.54281 -2.81247 18.56414 1.000 8.59725 C ? B ? 18 CZ 1
   ATOM 1163 N . MET B 19 ? 19.75041 -2.74535 12.17178 1.000 8.50640 N ? B ? 19 N 1
   ATOM 1164 CA . MET B 19 ? 18.36601 -2.52876 11.76586 1.000 9.83456 C ? B ? 19 CA 1
   ATOM 1165 C . MET B 19 ? 17.64767 -3.84654 11.64204 1.000 8.17161 C ? B ? 19 C 1
   ATOM 1166 O . MET B 19 ? 16.49182 -3.93877 12.05961 1.000 9.66455 O ? B ? 19 O 1
   ATOM 1167 CB . MET B 19 ? 18.25891 -1.76394 10.45052 1.000 9.86430 C ? B ? 19 CB 1
   ATOM 1168 CG . MET B 19 ? 18.55101 -0.30332 10.53381 1.000 11.43213 C ? B ? 19 CG 1
   ATOM 1169 SD . MET B 19 ? 17.89014 0.67141 9.16519 1.000 9.50060 S ? B ? 19 SD 1
   ATOM 1170 CE . MET B 19 ? 18.93708 0.12016 7.83310 1.000 9.69404 C ? B ? 19 CE 1
   ATOM 1171 N . ALA B 20 ? 18.27033 -4.82445 10.98168 1.000 8.54906 N ? B ? 20 N 1
   ATOM 1172 CA . ALA B 20 ? 17.59663 -6.08885 10.74959 1.000 8.80502 C ? B ? 20 CA 1
   ATOM 1173 C . ALA B 20 ? 17.22013 -6.77225 12.04809 1.000 9.93489 C ? B ? 20 C 1
   ATOM 1174 O . ALA B 20 ? 16.13025 -7.33611 12.15980 1.000 9.15741 O ? B ? 20 O 1
   ATOM 1175 CB . ALA B 20 ? 18.48226 -6.98533 9.90072 1.000 10.21121 C ? B ? 20 CB 1
   ATOM 1176 N . TRP B 21 ? 18.09577 -6.70003 13.05816 1.000 9.10394 N ? B ? 21 N 1
   ATOM 1177 CA . TRP B 21 ? 17.78816 -7.31540 14.34749 1.000 8.70070 C ? B ? 21 CA 1
   ATOM 1178 C . TRP B 21 ? 16.52948 -6.69034 14.93000 1.000 7.68343 C ? B ? 21 C 1
   ATOM 1179 O . TRP B 21 ? 15.63371 -7.39629 15.41550 1.000 9.38714 O ? B ? 21 O 1
   ATOM 1180 CB . TRP B 21 ? 18.95980 -7.11570 15.29977 1.000 9.28996 C ? B ? 21 CB 1
   ATOM 1181 CG . TRP B 21 ? 18.67012 -7.68126 16.65955 1.000 9.51270 C ? B ? 21 CG 1
   ATOM 1182 CD1 . TRP B 21 ? 18.21017 -8.90116 16.95220 1.000 9.94746 C ? B ? 21 CD1 1
   ATOM 1183 CD2 . TRP B 21 ? 18.85000 -7.02275 17.90242 1.000 9.58878 C ? B ? 21 CD2 1
   ATOM 1184 NE1 . TRP B 21 ? 18.07021 -9.07638 18.31312 1.000 11.02996 N ? B ? 21 NE1 1
   ATOM 1185 CE2 . TRP B 21 ? 18.44371 -7.90553 18.91342 1.000 9.42743 C ? B ? 21 CE2 1
   ATOM 1186 CE3 . TRP B 21 ? 19.28741 -5.73884 18.25767 1.000 10.22295 C ? B ? 21 CE3 1
   ATOM 1187 CZ2 . TRP B 21 ? 18.48187 -7.56662 20.26559 1.000 11.02752 C ? B ? 21 CZ2 1
   ATOM 1188 CZ3 . TRP B 21 ? 19.30172 -5.39731 19.60098 1.000 11.74066 C ? B ? 21 CZ3 1
   ATOM 1189 CH2 . TRP B 21 ? 18.91121 -6.32139 20.58435 1.000 12.37556 C ? B ? 21 CH2 1
   ATOM 1190 N . ASN B 22 ? 16.45533 -5.37801 14.87516 1.000 7.49869 N ? B ? 22 N 1
   ATOM 1191 CA . ASN B 22 ? 15.29286 -4.66970 15.41640 1.000 7.98508 C ? B ? 22 CA 1
   ATOM 1192 C . ASN B 22 ? 14.02446 -4.88344 14.60410 1.000 7.79237 C ? B ? 22 C 1
   ATOM 1193 O . ASN B 22 ? 12.94666 -5.04344 15.17941 1.000 8.42580 O ? B ? 22 O 1
   ATOM 1194 CB . ASN B 22 ? 15.66486 -3.20825 15.64544 1.000 8.95460 C ? B ? 22 CB 1
   ATOM 1195 CG . ASN B 22 ? 16.53020 -3.08438 16.88548 1.000 7.39857 C ? B ? 22 CG 1
   ATOM 1196 OD1 . ASN B 22 ? 16.00794 -3.14784 17.98555 1.000 9.20886 O ? B ? 22 OD1 1
   ATOM 1197 ND2 . ASN B 22 ? 17.83995 -3.05396 16.72669 1.000 9.74400 N ? B ? 22 ND2 1
   ATOM 1198 N . MET B 23 ? 14.14388 -4.94762 13.27730 1.000 8.57316 N ? B ? 23 N 1
   ATOM 1199 CA . MET B 23 ? 13.00310 -5.34572 12.45077 1.000 8.91035 C ? B ? 23 CA 1
   ATOM 1200 C . MET B 23 ? 12.45766 -6.69426 12.86743 1.000 9.62794 C ? B ? 23 C 1
   ATOM 1201 O . MET B 23 ? 11.23435 -6.85915 12.96481 1.000 9.49268 O ? B ? 23 O 1
   ATOM 1202 CB . MET B 23 ? 13.37211 -5.34408 10.97425 1.000 9.25879 C ? B ? 23 CB 1
   ATOM 1203 CG . MET B 23 ? 13.65062 -4.00814 10.40586 1.000 9.32613 C ? B ? 23 CG 1
   ATOM 1204 SD . MET B 23 ? 12.18317 -2.98336 10.12896 1.000 10.14049 S ? B ? 23 SD 1
   ATOM 1205 CE . MET B 23 ? 11.52610 -3.73528 8.65153 1.000 11.27350 C ? B ? 23 CE 1
   ATOM 1206 N A GLY B 24 ? 13.34130 -7.65893 13.13980 0.319 9.40231 N ? B ? 24 N 1
   ATOM 1207 CA A GLY B 24 ? 12.88855 -8.97482 13.54848 0.319 10.85004 C ? B ? 24 CA 1
   ATOM 1208 C A GLY B 24 ? 12.12265 -8.95257 14.85508 0.319 9.47238 C ? B ? 24 C 1
   ATOM 1209 O A GLY B 24 ? 11.17726 -9.72565 15.04101 0.319 10.30162 O ? B ? 24 O 1
   ATOM 1210 N B GLY B 24 ? 13.33870 -7.65873 13.13944 0.681 9.21830 N ? B ? 24 N 1
   ATOM 1211 CA B GLY B 24 ? 12.88454 -8.97249 13.54335 0.681 10.75478 C ? B ? 24 CA 1
   ATOM 1212 C B GLY B 24 ? 12.11166 -8.94247 14.84434 0.681 9.60000 C ? B ? 24 C 1
   ATOM 1213 O B GLY B 24 ? 11.14751 -9.70019 15.01647 0.681 10.26351 O ? B ? 24 O 1
   ATOM 1214 N . LYS B 25 ? 12.51373 -8.07184 15.78527 1.000 9.25748 N ? B ? 25 N 1
   ATOM 1215 CA . LYS B 25 ? 11.75257 -7.98662 17.02313 1.000 9.27337 C ? B ? 25 CA 1
   ATOM 1216 C . LYS B 25 ? 10.34565 -7.46314 16.73545 1.000 8.98194 C ? B ? 25 C 1
   ATOM 1217 O . LYS B 25 ? 9.36457 -7.90120 17.35680 1.000 9.80885 O ? B ? 25 O 1
   ATOM 1218 CB . LYS B 25 ? 12.46762 -7.06198 18.03683 1.000 8.93429 C ? B ? 25 CB 1
   ATOM 1219 CG . LYS B 25 ? 13.78116 -7.65401 18.55553 1.000 10.45045 C ? B ? 25 CG 1
   ATOM 1220 CD . LYS B 25 ? 14.44784 -6.93801 19.69678 1.000 13.14148 C ? B ? 25 CD 1
   ATOM 1221 CE . LYS B 25 ? 15.18378 -5.77223 19.16001 1.000 12.79373 C ? B ? 25 CE 1
   ATOM 1222 NZ . LYS B 25 ? 15.82126 -5.00253 20.25016 1.000 11.28244 N ? B ? 25 NZ 1
   ATOM 1223 N . ILE B 26 ? 10.22490 -6.46813 15.86380 1.000 8.62618 N ? B ? 26 N 1
   ATOM 1224 CA . ILE B 26 ? 8.89195 -5.95758 15.54233 1.000 9.75339 C ? B ? 26 CA 1
   ATOM 1225 C . ILE B 26 ? 8.03488 -7.05545 14.92752 1.000 9.27326 C ? B ? 26 C 1
   ATOM 1226 O . ILE B 26 ? 6.87286 -7.22784 15.32444 1.000 10.50948 O ? B ? 26 O 1
   ATOM 1227 CB . ILE B 26 ? 8.99032 -4.71101 14.64225 1.000 9.39382 C ? B ? 26 CB 1
   ATOM 1228 CG1 . ILE B 26 ? 9.78449 -3.60097 15.33005 1.000 9.45155 C ? B ? 26 CG1 1
   ATOM 1229 CG2 . ILE B 26 ? 7.57563 -4.19785 14.25791 1.000 10.95394 C ? B ? 26 CG2 1
   ATOM 1230 CD1 . ILE B 26 ? 10.07685 -2.36504 14.47955 1.000 9.74195 C ? B ? 26 CD1 1
   ATOM 1231 N . LYS B 27 ? 8.58287 -7.79783 13.95036 1.000 10.07266 N ? B ? 27 N 1
   ATOM 1232 CA . LYS B 27 ? 7.81414 -8.87242 13.34148 1.000 10.36702 C ? B ? 27 CA 1
   ATOM 1233 C . LYS B 27 ? 7.33044 -9.84278 14.40783 1.000 11.90749 C ? B ? 27 C 1
   ATOM 1234 O . LYS B 27 ? 6.15874 -10.26400 14.41174 1.000 11.98173 O ? B ? 27 O 1
   ATOM 1235 CB . LYS B 27 ? 8.70494 -9.58201 12.33681 1.000 10.30289 C ? B ? 27 CB 1
   ATOM 1236 CG . LYS B 27 ? 8.03474 -10.72175 11.61339 1.000 13.86611 C ? B ? 27 CG 1
   ATOM 1237 CD . LYS B 27 ? 8.97748 -11.29971 10.56005 1.000 21.18409 C ? B ? 27 CD 1
   ATOM 1238 CE . LYS B 27 ? 8.30400 -12.30560 9.63416 1.000 35.40048 C ? B ? 27 CE 1
   ATOM 1239 NZ . LYS B 27 ? 8.08856 -13.60432 10.32464 1.000 53.69771 N ? B ? 27 NZ 1
   ATOM 1240 N . ALA B 28 ? 8.20658 -10.16730 15.36060 1.000 10.68668 N ? B ? 28 N 1
   ATOM 1241 CA . ALA B 28 ? 7.86186 -11.14148 16.38417 1.000 11.72264 C ? B ? 28 CA 1
   ATOM 1242 C . ALA B 28 ? 6.73328 -10.65262 17.27011 1.000 11.70648 C ? B ? 28 C 1
   ATOM 1243 O . ALA B 28 ? 5.85259 -11.44223 17.64125 1.000 12.67374 O ? B ? 28 O 1
   ATOM 1244 CB . ALA B 28 ? 9.07890 -11.47423 17.22967 1.000 13.30040 C ? B ? 28 CB 1
   ATOM 1245 N . ASN B 29 ? 6.73325 -9.36305 17.60985 1.000 9.87261 N ? B ? 29 N 1
   ATOM 1246 CA . ASN B 29 ? 5.67126 -8.80355 18.42679 1.000 10.74630 C ? B ? 29 CA 1
   ATOM 1247 C . ASN B 29 ? 4.35656 -8.74532 17.66886 1.000 12.65205 C ? B ? 29 C 1
   ATOM 1248 O . ASN B 29 ? 3.28322 -8.90309 18.26916 1.000 12.51175 O ? B ? 29 O 1
   ATOM 1249 CB . ASN B 29 ? 6.08633 -7.40366 18.87620 1.000 10.33738 C ? B ? 29 CB 1
   ATOM 1250 CG . ASN B 29 ? 6.95838 -7.44432 20.10233 1.000 10.00101 C ? B ? 29 CG 1
   ATOM 1251 OD1 . ASN B 29 ? 6.47212 -7.49436 21.22797 1.000 10.58412 O ? B ? 29 OD1 1
   ATOM 1252 ND2 . ASN B 29 ? 8.27887 -7.42333 19.89827 1.000 12.96638 N ? B ? 29 ND2 1
   ATOM 1253 N . LEU B 30 ? 4.40014 -8.42796 16.37392 1.000 10.27783 N ? B ? 30 N 1
   ATOM 1254 CA . LEU B 30 ? 3.17152 -8.45798 15.58802 1.000 11.10564 C ? B ? 30 CA 1
   ATOM 1255 C . LEU B 30 ? 2.58567 -9.85190 15.48819 1.000 12.68188 C ? B ? 30 C 1
   ATOM 1256 O . LEU B 30 ? 1.35568 -9.98834 15.50315 1.000 15.27521 O ? B ? 30 O 1
   ATOM 1257 CB . LEU B 30 ? 3.40980 -7.87790 14.19815 1.000 12.32778 C ? B ? 30 CB 1
   ATOM 1258 CG . LEU B 30 ? 3.69311 -6.39864 14.22415 1.000 11.37870 C ? B ? 30 CG 1
   ATOM 1259 CD1 . LEU B 30 ? 4.21009 -5.90532 12.86314 1.000 13.68516 C ? B ? 30 CD1 1
   ATOM 1260 CD2 . LEU B 30 ? 2.46767 -5.63075 14.68561 1.000 16.11738 C ? B ? 30 CD2 1
   ATOM 1261 N . GLU B 31 ? 3.43064 -10.87813 15.34093 1.000 11.83272 N ? B ? 31 N 1
   ATOM 1262 CA . GLU B 31 ? 2.96088 -12.23049 15.09587 1.000 14.81683 C ? B ? 31 CA 1
   ATOM 1263 C . GLU B 31 ? 2.52261 -12.92655 16.36616 1.000 14.56196 C ? B ? 31 C 1
   ATOM 1264 O . GLU B 31 ? 1.76014 -13.89640 16.28297 1.000 18.44630 O ? B ? 31 O 1
   ATOM 1265 CB . GLU B 31 ? 4.03145 -13.01033 14.34834 1.000 17.19671 C ? B ? 31 CB 1
   ATOM 1266 CG . GLU B 31 ? 4.16070 -12.49418 12.90617 1.000 46.94531 C ? B ? 31 CG 1
   ATOM 1267 CD . GLU B 31 ? 5.23931 -13.21124 12.14119 1.000 73.86552 C ? B ? 31 CD 1
   ATOM 1268 OE1 . GLU B 31 ? 6.00702 -13.91624 12.81519 1.000 82.76073 O ? B ? 31 OE1 1
   ATOM 1269 OE2 . GLU B 31 ? 5.32477 -13.07489 10.89694 1.000 75.51897 O ? B ? 31 OE2 1
   ATOM 1270 N . GLY B 32 ? 2.99686 -12.50186 17.51844 1.000 12.35316 N ? B ? 32 N 1
   ATOM 1271 CA . GLY B 32 ? 2.67175 -13.11945 18.77934 1.000 13.80864 C ? B ? 32 CA 1
   ATOM 1272 C . GLY B 32 ? 2.07278 -12.11652 19.72987 1.000 14.04428 C ? B ? 32 C 1
   ATOM 1273 O . GLY B 32 ? 1.25080 -11.29308 19.34471 1.000 14.33714 O ? B ? 32 O 1
   ATOM 1274 N A GLU B 33 ? 2.48206 -12.18646 20.99560 0.549 13.15816 N ? B ? 33 N 1
   ATOM 1275 CA A GLU B 33 ? 2.03665 -11.19878 21.95824 0.549 12.82579 C ? B ? 33 CA 1
   ATOM 1276 C A GLU B 33 ? 2.77831 -9.89394 21.70652 0.549 10.76195 C ? B ? 33 C 1
   ATOM 1277 O A GLU B 33 ? 3.99187 -9.87682 21.45971 0.549 11.31234 O ? B ? 33 O 1
   ATOM 1278 CB A GLU B 33 ? 2.28809 -11.67811 23.38417 0.549 15.92385 C ? B ? 33 CB 1
   ATOM 1279 CG A GLU B 33 ? 1.71412 -10.73199 24.41232 0.549 19.88772 C ? B ? 33 CG 1
   ATOM 1280 CD A GLU B 33 ? 1.48797 -11.38130 25.76805 0.549 34.13524 C ? B ? 33 CD 1
   ATOM 1281 OE1 A GLU B 33 ? 1.64333 -12.61755 25.87334 0.549 34.68151 O ? B ? 33 OE1 1
   ATOM 1282 OE2 A GLU B 33 ? 1.14664 -10.65424 26.72854 0.549 32.88962 O ? B ? 33 OE2 1
   ATOM 1283 N B GLU B 33 ? 2.49468 -12.17132 20.99018 0.451 13.10589 N ? B ? 33 N 1
   ATOM 1284 CA B GLU B 33 ? 2.04115 -11.20163 21.97187 0.451 12.75419 C ? B ? 33 CA 1
   ATOM 1285 C B GLU B 33 ? 2.78458 -9.89361 21.74443 0.451 10.82980 C ? B ? 33 C 1
   ATOM 1286 O B GLU B 33 ? 4.00495 -9.88139 21.54111 0.451 11.31825 O ? B ? 33 O 1
   ATOM 1287 CB B GLU B 33 ? 2.28439 -11.72322 23.38429 0.451 15.90480 C ? B ? 33 CB 1
   ATOM 1288 CG B GLU B 33 ? 1.57722 -13.04196 23.66139 0.451 18.68909 C ? B ? 33 CG 1
   ATOM 1289 CD B GLU B 33 ? 1.45682 -13.32783 25.14501 0.451 34.00968 C ? B ? 33 CD 1
   ATOM 1290 OE1 B GLU B 33 ? 1.60720 -12.38019 25.94461 0.451 35.12561 O ? B ? 33 OE1 1
   ATOM 1291 OE2 B GLU B 33 ? 1.21407 -14.49817 25.51323 0.451 33.71664 O ? B ? 33 OE2 1
   ATOM 1292 N . TYR B 34 ? 2.05018 -8.78313 21.76000 1.000 10.95934 N ? B ? 34 N 1
   ATOM 1293 CA . TYR B 34 ? 2.58477 -7.48434 21.40649 1.000 9.56987 C ? B ? 34 CA 1
   ATOM 1294 C . TYR B 34 ? 3.05304 -6.74696 22.65076 1.000 10.70700 C ? B ? 34 C 1
   ATOM 1295 O . TYR B 34 ? 2.25897 -6.48399 23.56403 1.000 11.81124 O ? B ? 34 O 1
   ATOM 1296 CB . TYR B 34 ? 1.48748 -6.68295 20.69987 1.000 10.80236 C ? B ? 34 CB 1
   ATOM 1297 CG . TYR B 34 ? 1.94677 -5.36586 20.11309 1.000 11.24973 C ? B ? 34 CG 1
   ATOM 1298 CD1 . TYR B 34 ? 2.57780 -5.32209 18.86911 1.000 11.09721 C ? B ? 34 CD1 1
   ATOM 1299 CD2 . TYR B 34 ? 1.76206 -4.17861 20.80801 1.000 11.81526 C ? B ? 34 CD2 1
   ATOM 1300 CE1 . TYR B 34 ? 2.99781 -4.14088 18.34333 1.000 10.77282 C ? B ? 34 CE1 1
   ATOM 1301 CE2 . TYR B 34 ? 2.19890 -2.97119 20.27606 1.000 11.05361 C ? B ? 34 CE2 1
   ATOM 1302 CZ . TYR B 34 ? 2.83217 -2.97461 19.05626 1.000 9.87901 C ? B ? 34 CZ 1
   ATOM 1303 OH . TYR B 34 ? 3.28254 -1.79527 18.48886 1.000 12.12190 O ? B ? 34 OH 1
   ATOM 1304 N . ASN B 35 ? 4.35030 -6.42578 22.68485 1.000 9.54694 N ? B ? 35 N 1
   ATOM 1305 CA . ASN B 35 ? 4.96874 -5.66202 23.75888 1.000 9.32356 C ? B ? 35 CA 1
   ATOM 1306 C . ASN B 35 ? 5.25208 -4.28428 23.19674 1.000 8.71863 C ? B ? 35 C 1
   ATOM 1307 O . ASN B 35 ? 6.26150 -4.07119 22.53225 1.000 10.04584 O ? B ? 35 O 1
   ATOM 1308 CB . ASN B 35 ? 6.24268 -6.36967 24.19182 1.000 10.08801 C ? B ? 35 CB 1
   ATOM 1309 CG . ASN B 35 ? 6.96818 -5.61285 25.29637 1.000 9.47058 C ? B ? 35 CG 1
   ATOM 1310 OD1 . ASN B 35 ? 6.63773 -4.49451 25.62267 1.000 12.23323 O ? B ? 35 OD1 1
   ATOM 1311 ND2 . ASN B 35 ? 7.99535 -6.20517 25.82896 1.000 11.66434 N ? B ? 35 ND2 1
   ATOM 1312 N A ALA B 36 ? 4.34456 -3.33901 23.45699 0.268 10.53421 N ? B ? 36 N 1
   ATOM 1313 CA A ALA B 36 ? 4.42274 -2.03454 22.80881 0.268 10.68018 C ? B ? 36 CA 1
   ATOM 1314 C A ALA B 36 ? 5.72690 -1.32209 23.11852 0.268 10.48483 C ? B ? 36 C 1
   ATOM 1315 O A ALA B 36 ? 6.29032 -0.63545 22.25798 0.268 10.38845 O ? B ? 36 O 1
   ATOM 1316 CB A ALA B 36 ? 3.23616 -1.15650 23.21550 0.268 12.44620 C ? B ? 36 CB 1
   ATOM 1317 N B ALA B 36 ? 4.34981 -3.34131 23.46296 0.732 10.37540 N ? B ? 36 N 1
   ATOM 1318 CA B ALA B 36 ? 4.42844 -2.03486 22.82423 0.732 10.59468 C ? B ? 36 CA 1
   ATOM 1319 C B ALA B 36 ? 5.73505 -1.33459 23.12529 0.732 10.42496 C ? B ? 36 C 1
   ATOM 1320 O B ALA B 36 ? 6.29636 -0.64695 22.26478 0.732 10.36356 O ? B ? 36 O 1
   ATOM 1321 CB B ALA B 36 ? 3.26431 -1.13679 23.25208 0.732 12.36632 C ? B ? 36 CB 1
   ATOM 1322 N . ASP B 37 ? 6.21265 -1.45000 24.35343 1.000 10.67514 N ? B ? 37 N 1
   ATOM 1323 CA . ASP B 37 ? 7.47706 -0.80256 24.75113 1.000 12.64338 C ? B ? 37 CA 1
   ATOM 1324 C . ASP B 37 ? 8.66675 -1.38069 24.00096 1.000 11.01259 C ? B ? 37 C 1
   ATOM 1325 O . ASP B 37 ? 9.56826 -0.62252 23.59513 1.000 12.20275 O ? B ? 37 O 1
   ATOM 1326 CB . ASP B 37 ? 7.69263 -0.93481 26.24501 1.000 14.38081 C ? B ? 37 CB 1
   ATOM 1327 CG . ASP B 37 ? 6.76823 -0.07057 27.02888 1.000 22.11225 C ? B ? 37 CG 1
   ATOM 1328 OD1 . ASP B 37 ? 6.24847 0.89424 26.42317 1.000 23.32648 O ? B ? 37 OD1 1
   ATOM 1329 OD2 . ASP B 37 ? 6.67267 -0.29054 28.24367 1.000 25.43993 O ? B ? 37 OD2 1
   ATOM 1330 N . GLN B 38 ? 8.70093 -2.68967 23.79983 1.000 11.07069 N ? B ? 38 N 1
   ATOM 1331 CA . GLN B 38 ? 9.78335 -3.25591 23.01486 1.000 9.52961 C ? B ? 38 CA 1
   ATOM 1332 C . GLN B 38 ? 9.70216 -2.78317 21.57505 1.000 7.65058 C ? B ? 38 C 1
   ATOM 1333 O . GLN B 38 ? 10.72992 -2.49814 20.95051 1.000 9.30432 O ? B ? 38 O 1
   ATOM 1334 CB . GLN B 38 ? 9.76368 -4.77023 23.07669 1.000 10.68966 C ? B ? 38 CB 1
   ATOM 1335 CG . GLN B 38 ? 10.96874 -5.35396 22.35894 1.000 12.38993 C ? B ? 38 CG 1
   ATOM 1336 CD . GLN B 38 ? 11.04443 -6.86141 22.46523 1.000 11.31552 C ? B ? 38 CD 1
   ATOM 1337 OE1 . GLN B 38 ? 10.06562 -7.55642 22.13112 1.000 13.30805 O ? B ? 38 OE1 1
   ATOM 1338 NE2 . GLN B 38 ? 12.18246 -7.39478 22.92851 1.000 11.93600 N ? B ? 38 NE2 1
   ATOM 1339 N . VAL B 39 ? 8.49960 -2.71577 21.02113 1.000 9.11723 N ? B ? 39 N 1
   ATOM 1340 CA . VAL B 39 ? 8.33610 -2.26388 19.64285 1.000 8.58723 C ? B ? 39 CA 1
   ATOM 1341 C . VAL B 39 ? 8.75347 -0.81548 19.48118 1.000 8.79605 C ? B ? 39 C 1
   ATOM 1342 O . VAL B 39 ? 9.38475 -0.44770 18.48274 1.000 9.13667 O ? B ? 39 O 1
   ATOM 1343 CB . VAL B 39 ? 6.89637 -2.55117 19.17646 1.000 10.21595 C ? B ? 39 CB 1
   ATOM 1344 CG1 . VAL B 39 ? 6.64428 -1.94100 17.80785 1.000 10.82512 C ? B ? 39 CG1 1
   ATOM 1345 CG2 . VAL B 39 ? 6.64613 -4.03965 19.14629 1.000 9.73124 C ? B ? 39 CG2 1
   ATOM 1346 N . ARG B 40 ? 8.42054 0.03762 20.44525 1.000 9.40476 N ? B ? 40 N 1
   ATOM 1347 CA . ARG B 40 ? 8.91404 1.40770 20.41942 1.000 9.26020 C ? B ? 40 CA 1
   ATOM 1348 C . ARG B 40 ? 10.42827 1.41574 20.32619 1.000 9.75083 C ? B ? 40 C 1
   ATOM 1349 O . ARG B 40 ? 10.99550 2.16166 19.51321 1.000 9.78873 O ? B ? 40 O 1
   ATOM 1350 CB . ARG B 40 ? 8.46226 2.17675 21.66432 1.000 11.42805 C ? B ? 40 CB 1
   ATOM 1351 CG . ARG B 40 ? 7.01927 2.58011 21.69648 1.000 17.99756 C ? B ? 40 CG 1
   ATOM 1352 CD . ARG B 40 ? 6.72999 3.41663 22.95368 1.000 26.11263 C ? B ? 40 CD 1
   ATOM 1353 NE . ARG B 40 ? 5.33025 3.83081 23.00143 1.000 38.42616 N ? B ? 40 NE 1
   ATOM 1354 CZ . ARG B 40 ? 4.35987 3.14626 23.59640 1.000 32.08481 C ? B ? 40 CZ 1
   ATOM 1355 NH1 . ARG B 40 ? 4.60688 2.02688 24.25779 1.000 27.41463 N ? B ? 40 NH1 1
   ATOM 1356 NH2 . ARG B 40 ? 3.11013 3.60669 23.54121 1.000 31.98938 N ? B ? 40 NH2 1
   ATOM 1357 N . ALA B 41 ? 11.10257 0.73553 21.22547 1.000 9.72637 N ? B ? 41 N 1
   ATOM 1358 CA . ALA B 41 ? 12.56925 0.74442 21.22430 1.000 10.35497 C ? B ? 41 CA 1
   ATOM 1359 C . ALA B 41 ? 13.12585 0.25968 19.88661 1.000 8.97577 C ? B ? 41 C 1
   ATOM 1360 O . ALA B 41 ? 14.07548 0.84547 19.34163 1.000 8.89938 O ? B ? 41 O 1
   ATOM 1361 CB . ALA B 41 ? 13.08762 -0.11129 22.37689 1.000 11.92764 C ? B ? 41 CB 1
   ATOM 1362 N . ALA B 42 ? 12.57356 -0.83591 19.35547 1.000 8.38546 N ? B ? 42 N 1
   ATOM 1363 CA . ALA B 42 ? 13.05552 -1.37702 18.08502 1.000 8.20947 C ? B ? 42 CA 1
   ATOM 1364 C . ALA B 42 ? 12.78075 -0.43942 16.91803 1.000 7.46771 C ? B ? 42 C 1
   ATOM 1365 O . ALA B 42 ? 13.64435 -0.21879 16.06043 1.000 8.22394 O ? B ? 42 O 1
   ATOM 1366 CB . ALA B 42 ? 12.38990 -2.71131 17.84202 1.000 9.29167 C ? B ? 42 CB 1
   ATOM 1367 N . ALA B 43 ? 11.58414 0.15769 16.87247 1.000 8.11190 N ? B ? 43 N 1
   ATOM 1368 CA . ALA B 43 ? 11.26138 1.10373 15.81438 1.000 9.12823 C ? B ? 43 CA 1
   ATOM 1369 C . ALA B 43 ? 12.14647 2.33182 15.88322 1.000 7.98058 C ? B ? 43 C 1
   ATOM 1370 O . ALA B 43 ? 12.51902 2.90051 14.85052 1.000 8.22912 O ? B ? 43 O 1
   ATOM 1371 CB . ALA B 43 ? 9.79092 1.47933 15.92830 1.000 8.70371 C ? B ? 43 CB 1
   ATOM 1372 N . ASN B 44 ? 12.48193 2.77848 17.10673 1.000 8.82110 N ? B ? 44 N 1
   ATOM 1373 CA . ASN B 44 ? 13.34988 3.94568 17.24965 1.000 9.24145 C ? B ? 44 CA 1
   ATOM 1374 C . ASN B 44 ? 14.72717 3.67315 16.66066 1.000 7.51717 C ? B ? 44 C 1
   ATOM 1375 O . ASN B 44 ? 15.32025 4.58424 16.06304 1.000 8.25952 O ? B ? 44 O 1
   ATOM 1376 CB . ASN B 44 ? 13.47165 4.35344 18.70628 1.000 8.37483 C ? B ? 44 CB 1
   ATOM 1377 CG . ASN B 44 ? 12.19866 4.98230 19.22636 1.000 12.44926 C ? B ? 44 CG 1
   ATOM 1378 OD1 . ASN B 44 ? 11.27672 5.29842 18.46585 1.000 11.31357 O ? B ? 44 OD1 1
   ATOM 1379 ND2 . ASN B 44 ? 12.17939 5.24652 20.52658 1.000 13.82411 N ? B ? 44 ND2 1
   ATOM 1380 N . VAL B 45 ? 15.21392 2.44319 16.79837 1.000 7.15141 N ? B ? 45 N 1
   ATOM 1381 CA . VAL B 45 ? 16.48787 2.08579 16.16229 1.000 9.51326 C ? B ? 45 CA 1
   ATOM 1382 C . VAL B 45 ? 16.38448 2.19909 14.65036 1.000 8.12903 C ? B ? 45 C 1
   ATOM 1383 O . VAL B 45 ? 17.25984 2.75353 13.98094 1.000 8.07369 O ? B ? 45 O 1
   ATOM 1384 CB . VAL B 45 ? 16.93429 0.66679 16.55257 1.000 8.70523 C ? B ? 45 CB 1
   ATOM 1385 CG1 . VAL B 45 ? 18.14774 0.28164 15.68374 1.000 8.99845 C ? B ? 45 CG1 1
   ATOM 1386 CG2 . VAL B 45 ? 17.30744 0.58117 18.03555 1.000 9.85529 C ? B ? 45 CG2 1
   ATOM 1387 N . VAL B 46 ? 15.32948 1.62562 14.08534 1.000 7.83130 N ? B ? 46 N 1
   ATOM 1388 CA . VAL B 46 ? 15.19533 1.60115 12.63014 1.000 7.38661 C ? B ? 46 CA 1
   ATOM 1389 C . VAL B 46 ? 15.09361 3.01363 12.11110 1.000 7.58878 C ? B ? 46 C 1
   ATOM 1390 O . VAL B 46 ? 15.77485 3.39706 11.15491 1.000 8.55913 O ? B ? 46 O 1
   ATOM 1391 CB . VAL B 46 ? 14.02565 0.70291 12.19144 1.000 8.75905 C ? B ? 46 CB 1
   ATOM 1392 CG1 . VAL B 46 ? 13.91047 0.71452 10.65364 1.000 9.60587 C ? B ? 46 CG1 1
   ATOM 1393 CG2 . VAL B 46 ? 14.19796 -0.69614 12.67199 1.000 9.33854 C ? B ? 46 CG2 1
   ATOM 1394 N . ALA B 47 ? 14.29140 3.87118 12.77758 1.000 7.35533 N ? B ? 47 N 1
   ATOM 1395 CA . ALA B 47 ? 14.17172 5.24953 12.34791 1.000 7.94256 C ? B ? 47 CA 1
   ATOM 1396 C . ALA B 47 ? 15.49993 5.98154 12.45510 1.000 8.54863 C ? B ? 47 C 1
   ATOM 1397 O . ALA B 47 ? 15.88941 6.73173 11.55168 1.000 8.89504 O ? B ? 47 O 1
   ATOM 1398 CB . ALA B 47 ? 13.10480 5.96017 13.17365 1.000 9.92236 C ? B ? 47 CB 1
   ATOM 1399 N . ALA B 48 ? 16.19804 5.80079 13.56514 1.000 7.67212 N ? B ? 48 N 1
   ATOM 1400 CA . ALA B 48 ? 17.45537 6.51975 13.75845 1.000 8.27213 C ? B ? 48 CA 1
   ATOM 1401 C . ALA B 48 ? 18.49979 6.10086 12.72165 1.000 6.64661 C ? B ? 48 C 1
   ATOM 1402 O . ALA B 48 ? 19.14859 6.95728 12.09376 1.000 8.21910 O ? B ? 48 O 1
   ATOM 1403 CB . ALA B 48 ? 17.98268 6.33240 15.17667 1.000 7.74049 C ? B ? 48 CB 1
   ATOM 1404 N . ILE B 49 ? 18.67769 4.80435 12.54606 1.000 6.32526 N ? B ? 49 N 1
   ATOM 1405 CA . ILE B 49 ? 19.68766 4.33855 11.60379 1.000 8.54982 C ? B ? 49 CA 1
   ATOM 1406 C . ILE B 49 ? 19.32593 4.73153 10.17363 1.000 6.78928 C ? B ? 49 C 1
   ATOM 1407 O . ILE B 49 ? 20.18209 5.15625 9.39589 1.000 8.04098 O ? B ? 49 O 1
   ATOM 1408 CB . ILE B 49 ? 19.96629 2.83606 11.74320 1.000 7.22239 C ? B ? 49 CB 1
   ATOM 1409 CG1 . ILE B 49 ? 20.52940 2.54808 13.13606 1.000 8.11068 C ? B ? 49 CG1 1
   ATOM 1410 CG2 . ILE B 49 ? 20.88473 2.37882 10.60474 1.000 8.14866 C ? B ? 49 CG2 1
   ATOM 1411 CD1 . ILE B 49 ? 20.83731 1.11520 13.41283 1.000 8.37108 C ? B ? 49 CD1 1
   ATOM 1412 N . ALA B 50 ? 18.04811 4.63375 9.81769 1.000 8.13176 N ? B ? 50 N 1
   ATOM 1413 CA . ALA B 50 ? 17.64320 4.99611 8.45648 1.000 8.20052 C ? B ? 50 CA 1
   ATOM 1414 C . ALA B 50 ? 17.84415 6.44940 8.15984 1.000 8.89071 C ? B ? 50 C 1
   ATOM 1415 O . ALA B 50 ? 17.88308 6.83399 6.97923 1.000 11.50187 O ? B ? 50 O 1
   ATOM 1416 CB . ALA B 50 ? 16.17862 4.58368 8.23263 1.000 9.29865 C ? B ? 50 CB 1
   ATOM 1417 N . ASN B 51 ? 17.91230 7.31053 9.18112 1.000 7.88811 N ? B ? 51 N 1
   ATOM 1418 CA . ASN B 51 ? 18.05857 8.72614 9.01914 1.000 8.20629 C ? B ? 51 CA 1
   ATOM 1419 C . ASN B 51 ? 19.42030 9.22924 9.48980 1.000 9.31246 C ? B ? 51 C 1
   ATOM 1420 O . ASN B 51 ? 19.58161 10.42551 9.74458 1.000 11.51506 O ? B ? 51 O 1
   ATOM 1421 CB . ASN B 51 ? 16.90950 9.46192 9.70851 1.000 11.07744 C ? B ? 51 CB 1
   ATOM 1422 CG . ASN B 51 ? 15.60944 9.24010 8.98410 1.000 11.75332 C ? B ? 51 CG 1
   ATOM 1423 OD1 . ASN B 51 ? 15.38784 9.82355 7.91815 1.000 12.59468 O ? B ? 51 OD1 1
   ATOM 1424 ND2 . ASN B 51 ? 14.75300 8.40084 9.51544 1.000 11.51909 N ? B ? 51 ND2 1
   ATOM 1425 N . SER B 52 ? 20.43061 8.36910 9.50702 1.000 9.78352 N ? B ? 52 N 1
   ATOM 1426 CA . SER B 52 ? 21.73520 8.66023 10.06455 1.000 9.92188 C ? B ? 52 CA 1
   ATOM 1427 C . SER B 52 ? 22.74030 9.10010 9.02707 1.000 11.75013 C ? B ? 52 C 1
   ATOM 1428 O . SER B 52 ? 23.87022 9.40128 9.41138 1.000 13.33738 O ? B ? 52 O 1
   ATOM 1429 CB . SER B 52 ? 22.26029 7.43844 10.82007 1.000 10.61337 C ? B ? 52 CB 1
   ATOM 1430 OG . SER B 52 ? 22.57576 6.36369 9.97451 1.000 9.71885 O ? B ? 52 OG 1
   ATOM 1431 N . GLY B 53 ? 22.36065 9.18802 7.74830 1.000 10.23155 N ? B ? 53 N 1
   ATOM 1432 CA . GLY B 53 ? 23.28959 9.66822 6.74534 1.000 12.68361 C ? B ? 53 CA 1
   ATOM 1433 C . GLY B 53 ? 24.22614 8.59778 6.22276 1.000 10.48304 C ? B ? 53 C 1
   ATOM 1434 O . GLY B 53 ? 25.40196 8.86011 5.95826 1.000 13.12477 O ? B ? 53 O 1
   ATOM 1435 N . MET B 54 ? 23.74740 7.36474 6.05701 1.000 11.84789 N ? B ? 54 N 1
   ATOM 1436 CA . MET B 54 ? 24.59681 6.25656 5.60887 1.000 11.22211 C ? B ? 54 CA 1
   ATOM 1437 C . MET B 54 ? 25.11950 6.41504 4.18702 1.000 10.80909 C ? B ? 54 C 1
   ATOM 1438 O . MET B 54 ? 26.05496 5.70879 3.79618 1.000 12.47900 O ? B ? 54 O 1
   ATOM 1439 CB . MET B 54 ? 23.87825 4.93735 5.74919 1.000 11.96475 C ? B ? 54 CB 1
   ATOM 1440 CG . MET B 54 ? 23.73179 4.53450 7.20393 1.000 11.33885 C ? B ? 54 CG 1
   ATOM 1441 SD . MET B 54 ? 22.66670 3.09836 7.44194 1.000 13.66505 S ? B ? 54 SD 1
   ATOM 1442 CE . MET B 54 ? 23.68455 1.83499 6.70454 1.000 14.02142 C ? B ? 54 CE 1
   ATOM 1443 N . GLY B 55 ? 24.56174 7.34584 3.39988 1.000 13.03842 N ? B ? 55 N 1
   ATOM 1444 CA . GLY B 55 ? 25.14434 7.64724 2.09315 1.000 15.16155 C ? B ? 55 CA 1
   ATOM 1445 C . GLY B 55 ? 26.60805 8.05439 2.15969 1.000 15.63886 C ? B ? 55 C 1
   ATOM 1446 O . GLY B 55 ? 27.37482 7.82317 1.21104 1.000 18.18135 O ? B ? 55 O 1
   ATOM 1447 N . ALA B 56 ? 27.03830 8.57904 3.28993 1.000 13.02563 N ? B ? 56 N 1
   ATOM 1448 CA . ALA B 56 ? 28.43139 8.94945 3.48742 1.000 18.97254 C ? B ? 56 CA 1
   ATOM 1449 C . ALA B 56 ? 29.35028 7.73710 3.56013 1.000 15.11448 C ? B ? 56 C 1
   ATOM 1450 O . ALA B 56 ? 30.57678 7.89994 3.52725 1.000 14.52255 O ? B ? 56 O 1
   ATOM 1451 CB . ALA B 56 ? 28.56453 9.80736 4.74916 1.000 17.66768 C ? B ? 56 CB 1
   ATOM 1452 N . LEU B 57 ? 28.80012 6.53185 3.64748 1.000 12.16438 N ? B ? 57 N 1
   ATOM 1453 CA . LEU B 57 ? 29.57338 5.31246 3.73921 1.000 11.31477 C ? B ? 57 CA 1
   ATOM 1454 C . LEU B 57 ? 29.72107 4.61121 2.39857 1.000 11.32146 C ? B ? 57 C 1
   ATOM 1455 O . LEU B 57 ? 30.15927 3.46282 2.37559 1.000 11.04159 O ? B ? 57 O 1
   ATOM 1456 CB . LEU B 57 ? 28.92652 4.39140 4.78246 1.000 11.27136 C ? B ? 57 CB 1
   ATOM 1457 CG . LEU B 57 ? 28.75356 5.03215 6.15263 1.000 10.94812 C ? B ? 57 CG 1
   ATOM 1458 CD1 . LEU B 57 ? 27.87032 4.13202 7.00431 1.000 11.67287 C ? B ? 57 CD1 1
   ATOM 1459 CD2 . LEU B 57 ? 30.11128 5.21586 6.81606 1.000 11.66865 C ? B ? 57 CD2 1
   ATOM 1460 N . TYR B 58 ? 29.34914 5.27611 1.28179 1.000 14.20826 N ? B ? 58 N 1
   ATOM 1461 CA . TYR B 58 ? 29.46100 4.71621 -0.06456 1.000 12.61728 C ? B ? 58 CA 1
   ATOM 1462 C . TYR B 58 ? 30.48402 5.48005 -0.90632 1.000 15.65321 C ? B ? 58 C 1
   ATOM 1463 O . TYR B 58 ? 30.24923 5.78707 -2.08180 1.000 17.81524 O ? B ? 58 O 1
   ATOM 1464 CB . TYR B 58 ? 28.10149 4.63998 -0.76210 1.000 12.54001 C ? B ? 58 CB 1
   ATOM 1465 CG . TYR B 58 ? 27.26074 3.52436 -0.18113 1.000 12.09051 C ? B ? 58 CG 1
   ATOM 1466 CD1 . TYR B 58 ? 26.45432 3.74761 0.94812 1.000 14.46102 C ? B ? 58 CD1 1
   ATOM 1467 CD2 . TYR B 58 ? 27.30919 2.26179 -0.72451 1.000 11.54666 C ? B ? 58 CD2 1
   ATOM 1468 CE1 . TYR B 58 ? 25.70370 2.71582 1.49957 1.000 12.83500 C ? B ? 58 CE1 1
   ATOM 1469 CE2 . TYR B 58 ? 26.58522 1.23508 -0.19779 1.000 12.33115 C ? B ? 58 CE2 1
   ATOM 1470 CZ . TYR B 58 ? 25.76103 1.47578 0.89876 1.000 11.37417 C ? B ? 58 CZ 1
   ATOM 1471 OH . TYR B 58 ? 25.08808 0.39042 1.38367 1.000 12.27910 O ? B ? 58 OH 1
   ATOM 1472 N . GLY B 59 ? 31.63882 5.79314 -0.30822 1.000 14.64954 N ? B ? 59 N 1
   ATOM 1473 CA . GLY B 59 ? 32.63137 6.61438 -0.94778 1.000 18.23887 C ? B ? 59 CA 1
   ATOM 1474 C . GLY B 59 ? 33.42313 5.84897 -1.96162 1.000 17.05118 C ? B ? 59 C 1
   ATOM 1475 O . GLY B 59 ? 33.25421 4.65064 -2.15793 1.000 18.51332 O ? B ? 59 O 1
   ATOM 1476 N . PRO B 60 ? 34.34248 6.54848 -2.61959 1.000 30.28060 N ? B ? 60 N 1
   ATOM 1477 CA . PRO B 60 ? 35.21037 5.88036 -3.58954 1.000 24.95868 C ? B ? 60 CA 1
   ATOM 1478 C . PRO B 60 ? 36.01410 4.77124 -2.93409 1.000 23.89472 C ? B ? 60 C 1
   ATOM 1479 O . PRO B 60 ? 36.47578 4.89648 -1.79985 1.000 23.69039 O ? B ? 60 O 1
   ATOM 1480 CB . PRO B 60 ? 36.12029 7.01553 -4.07687 1.000 33.47553 C ? B ? 60 CB 1
   ATOM 1481 CG . PRO B 60 ? 35.32871 8.25169 -3.83382 1.000 29.11924 C ? B ? 60 CG 1
   ATOM 1482 CD . PRO B 60 ? 34.57540 7.99959 -2.56166 1.000 27.25510 C ? B ? 60 CD 1
   ATOM 1483 N . GLY B 61 ? 36.17073 3.67941 -3.66362 1.000 24.42525 N ? B ? 61 N 1
   ATOM 1484 CA . GLY B 61 ? 36.89801 2.53879 -3.17846 1.000 25.11287 C ? B ? 61 CA 1
   ATOM 1485 C . GLY B 61 ? 36.06973 1.53522 -2.41492 1.000 22.13762 C ? B ? 61 C 1
   ATOM 1486 O . GLY B 61 ? 36.60325 0.48878 -2.03652 1.000 23.58801 O ? B ? 61 O 1
   ATOM 1487 N . THR B 62 ? 34.78045 1.80789 -2.18695 1.000 19.85940 N ? B ? 62 N 1
   ATOM 1488 CA . THR B 62 ? 33.93320 0.91389 -1.40234 1.000 17.58536 C ? B ? 62 CA 1
   ATOM 1489 C . THR B 62 ? 33.10201 -0.04768 -2.25063 1.000 38.21496 C ? B ? 62 C 1
   ATOM 1490 O . THR B 62 ? 32.21109 -0.72233 -1.72188 1.000 20.08252 O ? B ? 62 O 1
   ATOM 1491 CB . THR B 62 ? 33.03849 1.67282 -0.41081 1.000 14.04912 C ? B ? 62 CB 1
   ATOM 1492 OG1 . THR B 62 ? 32.05574 2.44264 -1.12923 1.000 15.19423 O ? B ? 62 OG1 1
   ATOM 1493 CG2 . THR B 62 ? 33.85938 2.55837 0.51394 1.000 14.64675 C ? B ? 62 CG2 1
   ATOM 1494 N . ASP B 63 ? 33.39137 -0.14386 -3.54053 1.000 75.63797 N ? B ? 63 N 1
   ATOM 1495 CA . ASP B 63 ? 32.68484 -1.05032 -4.43056 1.000 130.60619 C ? B ? 63 CA 1
   ATOM 1496 C . ASP B 63 ? 33.32916 -2.42387 -4.53810 1.000 192.16635 C ? B ? 63 C 1
   ATOM 1497 O . ASP B 63 ? 32.63795 -3.38988 -4.87528 1.000 180.70001 O ? B ? 63 O 1
   ATOM 1498 CB . ASP B 63 ? 32.53939 -0.42320 -5.81884 1.000 120.71137 C ? B ? 63 CB 1
   ATOM 1499 CG . ASP B 63 ? 33.81454 0.25297 -6.30709 1.000 105.74175 C ? B ? 63 CG 1
   ATOM 1500 OD1 . ASP B 63 ? 33.78500 0.75856 -7.44492 1.000 111.33118 O ? B ? 63 OD1 1
   ATOM 1501 OD2 . ASP B 63 ? 34.84211 0.27848 -5.59349 1.000 96.87154 O ? B ? 63 OD2 1
   ATOM 1502 N . LYS B 64 ? 34.62231 -2.54100 -4.26927 1.000 177.93829 N ? B ? 64 N 1
   ATOM 1503 CA . LYS B 64 ? 35.28911 -3.83107 -4.29822 1.000 146.57196 C ? B ? 64 CA 1
   ATOM 1504 C . LYS B 64 ? 35.60292 -4.28892 -2.88160 1.000 93.01129 C ? B ? 64 C 1
   ATOM 1505 O . LYS B 64 ? 35.66639 -3.48989 -1.94315 1.000 72.93669 O ? B ? 64 O 1
   ATOM 1506 CB . LYS B 64 ? 36.57738 -3.78362 -5.12800 1.000 157.07881 C ? B ? 64 CB 1
   ATOM 1507 CG . LYS B 64 ? 37.77225 -3.16422 -4.42255 1.000 145.49287 C ? B ? 64 CG 1
   ATOM 1508 CD . LYS B 64 ? 37.87011 -1.67518 -4.68569 1.000 125.82637 C ? B ? 64 CD 1
   ATOM 1509 CE . LYS B 64 ? 39.27379 -1.17558 -4.41307 1.000 111.13640 C ? B ? 64 CE 1
   ATOM 1510 NZ . LYS B 64 ? 39.38048 0.29167 -4.60539 1.000 103.64074 N ? B ? 64 NZ 1
   ATOM 1511 N . ASN B 65 ? 35.78595 -5.59726 -2.73815 1.000 64.22174 N ? B ? 65 N 1
   ATOM 1512 CA . ASN B 65 ? 36.18642 -6.15361 -1.45579 1.000 51.92217 C ? B ? 65 CA 1
   ATOM 1513 C . ASN B 65 ? 37.56970 -5.64188 -1.08776 1.000 53.65489 C ? B ? 65 C 1
   ATOM 1514 O . ASN B 65 ? 38.42548 -5.44037 -1.95297 1.000 60.18497 O ? B ? 65 O 1
   ATOM 1515 CB . ASN B 65 ? 36.22218 -7.67887 -1.53930 1.000 37.34975 C ? B ? 65 CB 1
   ATOM 1516 CG . ASN B 65 ? 34.92225 -8.26418 -2.04919 1.000 37.78188 C ? B ? 65 CG 1
   ATOM 1517 OD1 . ASN B 65 ? 33.83883 -7.72292 -1.80452 1.000 30.15175 O ? B ? 65 OD1 1
   ATOM 1518 ND2 . ASN B 65 ? 35.02039 -9.37278 -2.76654 1.000 35.78893 N ? B ? 65 ND2 1
   ATOM 1519 N . VAL B 66 ? 37.78777 -5.42747 0.20552 1.000 46.24832 N ? B ? 66 N 1
   ATOM 1520 CA . VAL B 66 ? 39.06844 -4.91688 0.67544 1.000 52.77120 C ? B ? 66 CA 1
   ATOM 1521 C . VAL B 66 ? 39.75186 -5.98680 1.51769 1.000 59.51496 C ? B ? 66 C 1
   ATOM 1522 O . VAL B 66 ? 39.63971 -5.99878 2.74889 1.000 55.79430 O ? B ? 66 O 1
   ATOM 1523 CB . VAL B 66 ? 38.90289 -3.58385 1.42999 1.000 51.79779 C ? B ? 66 CB 1
   ATOM 1524 CG1 . VAL B 66 ? 40.25204 -2.94539 1.67200 1.000 57.45224 C ? B ? 66 CG1 1
   ATOM 1525 CG2 . VAL B 66 ? 38.00539 -2.63891 0.64372 1.000 42.91790 C ? B ? 66 CG2 1
   ATOM 1526 N . GLY B 67 ? 40.45810 -6.89794 0.85450 1.000 69.65401 N ? B ? 67 N 1
   ATOM 1527 CA . GLY B 67 ? 41.09592 -8.00200 1.54008 1.000 83.83076 C ? B ? 67 CA 1
   ATOM 1528 C . GLY B 67 ? 40.09163 -9.00153 2.07216 1.000 78.72799 C ? B ? 67 C 1
   ATOM 1529 O . GLY B 67 ? 39.44427 -9.71397 1.29946 1.000 85.77866 O ? B ? 67 O 1
   ATOM 1530 N . ALA B 68 ? 39.94555 -9.05722 3.39329 1.000 65.52450 N ? B ? 68 N 1
   ATOM 1531 CA . ALA B 68 ? 39.00502 -9.98324 4.00312 1.000 59.28279 C ? B ? 68 CA 1
   ATOM 1532 C . ALA B 68 ? 37.61330 -9.39587 4.17974 1.000 46.19348 C ? B ? 68 C 1
   ATOM 1533 O . ALA B 68 ? 36.66443 -10.15493 4.40820 1.000 44.53106 O ? B ? 68 O 1
   ATOM 1534 CB . ALA B 68 ? 39.52602 -10.47943 5.35581 1.000 59.69668 C ? B ? 68 CB 1
   ATOM 1535 N . VAL B 69 ? 37.46064 -8.07833 4.09238 1.000 44.11154 N ? B ? 69 N 1
   ATOM 1536 CA . VAL B 69 ? 36.14320 -7.46294 4.20965 1.000 39.27313 C ? B ? 69 CA 1
   ATOM 1537 C . VAL B 69 ? 35.48100 -7.47211 2.83433 1.000 30.44672 C ? B ? 69 C 1
   ATOM 1538 O . VAL B 69 ? 35.94320 -6.83190 1.88843 1.000 27.31981 O ? B ? 69 O 1
   ATOM 1539 CB . VAL B 69 ? 36.19141 -6.06735 4.84991 1.000 47.62495 C ? B ? 69 CB 1
   ATOM 1540 CG1 . VAL B 69 ? 36.77010 -6.16931 6.25073 1.000 42.81692 C ? B ? 69 CG1 1
   ATOM 1541 CG2 . VAL B 69 ? 37.00547 -5.09018 4.03094 1.000 48.41550 C ? B ? 69 CG2 1
   ATOM 1542 N . LYS B 70 ? 34.41706 -8.23936 2.71484 1.000 21.46279 N ? B ? 70 N 1
   ATOM 1543 CA . LYS B 70 ? 33.72405 -8.40730 1.45374 1.000 21.25178 C ? B ? 70 CA 1
   ATOM 1544 C . LYS B 70 ? 32.45814 -7.57093 1.50795 1.000 19.57328 C ? B ? 70 C 1
   ATOM 1545 O . LYS B 70 ? 31.83698 -7.44663 2.56619 1.000 25.68382 O ? B ? 70 O 1
   ATOM 1546 CB . LYS B 70 ? 33.36313 -9.87630 1.24226 1.000 33.59332 C ? B ? 70 CB 1
   ATOM 1547 CG . LYS B 70 ? 34.55045 -10.83480 1.34552 1.000 43.36743 C ? B ? 70 CG 1
   ATOM 1548 CD . LYS B 70 ? 34.17173 -12.25589 0.92310 1.000 64.13612 C ? B ? 70 CD 1
   ATOM 1549 CE . LYS B 70 ? 33.04293 -12.82328 1.77886 1.000 75.89458 C ? B ? 70 CE 1
   ATOM 1550 NZ . LYS B 70 ? 32.69335 -14.22746 1.40459 1.000 86.84915 N ? B ? 70 NZ 1
   ATOM 1551 N . THR B 71 ? 32.09760 -6.97224 0.38316 1.000 17.65872 N ? B ? 71 N 1
   ATOM 1552 CA . THR B 71 ? 30.87201 -6.19908 0.28840 1.000 15.72794 C ? B ? 71 CA 1
   ATOM 1553 C . THR B 71 ? 29.85073 -6.93212 -0.57424 1.000 15.18679 C ? B ? 71 C 1
   ATOM 1554 O . THR B 71 ? 30.20805 -7.65896 -1.51319 1.000 16.65311 O ? B ? 71 O 1
   ATOM 1555 CB . THR B 71 ? 31.15326 -4.78791 -0.25652 1.000 17.40627 C ? B ? 71 CB 1
   ATOM 1556 OG1 . THR B 71 ? 29.93393 -4.05198 -0.31544 1.000 13.99339 O ? B ? 71 OG1 1
   ATOM 1557 CG2 . THR B 71 ? 31.77487 -4.80065 -1.65973 1.000 19.12896 C ? B ? 71 CG2 1
   ATOM 1558 N . ARG B 72 ? 28.57875 -6.79233 -0.21166 1.000 12.31372 N ? B ? 72 N 1
   ATOM 1559 CA . ARG B 72 ? 27.48011 -7.23050 -1.04551 1.000 13.55612 C ? B ? 72 CA 1
   ATOM 1560 C . ARG B 72 ? 26.87781 -6.10457 -1.87968 1.000 12.71184 C ? B ? 72 C 1
   ATOM 1561 O . ARG B 72 ? 25.85284 -6.34622 -2.54309 1.000 14.60822 O ? B ? 72 O 1
   ATOM 1562 CB . ARG B 72 ? 26.40528 -7.88998 -0.17373 1.000 13.73177 C ? B ? 72 CB 1
   ATOM 1563 CG . ARG B 72 ? 26.86361 -9.22499 0.44644 1.000 15.04714 C ? B ? 72 CG 1
   ATOM 1564 CD . ARG B 72 ? 25.90264 -9.76641 1.48884 1.000 16.31020 C ? B ? 72 CD 1
   ATOM 1565 NE . ARG B 72 ? 24.62344 -10.11519 0.88740 1.000 16.34543 N ? B ? 72 NE 1
   ATOM 1566 CZ . ARG B 72 ? 23.53702 -10.41733 1.57511 1.000 15.95569 C ? B ? 72 CZ 1
   ATOM 1567 NH1 . ARG B 72 ? 23.55767 -10.49435 2.89657 1.000 17.68381 N ? B ? 72 NH1 1
   ATOM 1568 NH2 . ARG B 72 ? 22.40754 -10.67074 0.92119 1.000 17.98859 N ? B ? 72 NH2 1
   ATOM 1569 N . ALA B 73 ? 27.47643 -4.90352 -1.89648 1.000 11.77084 N ? B ? 73 N 1
   ATOM 1570 CA . ALA B 73 ? 26.96686 -3.86938 -2.77515 1.000 12.48960 C ? B ? 73 CA 1
   ATOM 1571 C . ALA B 73 ? 27.29779 -4.21250 -4.22309 1.000 12.25359 C ? B ? 73 C 1
   ATOM 1572 O . ALA B 73 ? 28.45083 -4.50733 -4.54812 1.000 17.30576 O ? B ? 73 O 1
   ATOM 1573 CB . ALA B 73 ? 27.57156 -2.53033 -2.37731 1.000 13.37016 C ? B ? 73 CB 1
   ATOM 1574 N . LYS B 74 ? 26.28761 -4.22231 -5.08094 1.000 11.03744 N ? B ? 74 N 1
   ATOM 1575 CA . LYS B 74 ? 26.51683 -4.55179 -6.48712 1.000 12.26862 C ? B ? 74 CA 1
   ATOM 1576 C . LYS B 74 ? 27.10745 -3.35400 -7.23682 1.000 12.03954 C ? B ? 74 C 1
   ATOM 1577 O . LYS B 74 ? 26.89058 -2.19647 -6.87466 1.000 12.45301 O ? B ? 74 O 1
   ATOM 1578 CB . LYS B 74 ? 25.18567 -4.88557 -7.14294 1.000 13.86285 C ? B ? 74 CB 1
   ATOM 1579 CG . LYS B 74 ? 24.59515 -6.18437 -6.66617 1.000 14.00976 C ? B ? 74 CG 1
   ATOM 1580 CD . LYS B 74 ? 23.37293 -6.59365 -7.48557 1.000 15.01703 C ? B ? 74 CD 1
   ATOM 1581 CE . LYS B 74 ? 23.03696 -8.05421 -7.30079 1.000 15.47236 C ? B ? 74 CE 1
   ATOM 1582 NZ . LYS B 74 ? 21.91368 -8.37551 -8.22630 1.000 15.85828 N ? B ? 74 NZ 1
   ATOM 1583 N . PRO B 75 ? 27.82114 -3.60475 -8.33995 1.000 11.72402 N ? B ? 75 N 1
   ATOM 1584 CA . PRO B 75 ? 28.24129 -2.49877 -9.22152 1.000 13.62515 C ? B ? 75 CA 1
   ATOM 1585 C . PRO B 75 ? 27.10338 -1.57986 -9.61914 1.000 12.98825 C ? B ? 75 C 1
   ATOM 1586 O . PRO B 75 ? 27.30893 -0.36324 -9.77265 1.000 14.21231 O ? B ? 75 O 1
   ATOM 1587 CB . PRO B 75 ? 28.83962 -3.20334 -10.44599 1.000 16.47967 C ? B ? 75 CB 1
   ATOM 1588 CG . PRO B 75 ? 29.17393 -4.57533 -9.98318 1.000 22.46562 C ? B ? 75 CG 1
   ATOM 1589 CD . PRO B 75 ? 28.23110 -4.92039 -8.83679 1.000 14.73759 C ? B ? 75 CD 1
   ATOM 1590 N . GLU B 76 ? 25.90304 -2.13491 -9.80295 1.000 13.07614 N ? B ? 76 N 1
   ATOM 1591 CA . GLU B 76 ? 24.76888 -1.29560 -10.18163 1.000 12.73276 C ? B ? 76 CA 1
   ATOM 1592 C . GLU B 76 ? 24.54342 -0.16602 -9.18359 1.000 12.64382 C ? B ? 76 C 1
   ATOM 1593 O . GLU B 76 ? 24.07124 0.91240 -9.56068 1.000 14.58455 O ? B ? 76 O 1
   ATOM 1594 CB . GLU B 76 ? 23.49664 -2.12346 -10.32832 1.000 14.33673 C ? B ? 76 CB 1
   ATOM 1595 CG . GLU B 76 ? 23.44123 -2.99942 -11.59188 1.000 16.65604 C ? B ? 76 CG 1
   ATOM 1596 CD . GLU B 76 ? 23.96684 -4.42507 -11.41661 1.000 14.77685 C ? B ? 76 CD 1
   ATOM 1597 OE1 . GLU B 76 ? 23.46224 -5.29566 -12.20809 1.000 15.79751 O ? B ? 76 OE1 1
   ATOM 1598 OE2 . GLU B 76 ? 24.85410 -4.66906 -10.57797 1.000 13.06427 O ? B ? 76 OE2 1
   ATOM 1599 N . LEU B 77 ? 24.83090 -0.40009 -7.90005 1.000 12.70238 N ? B ? 77 N 1
   ATOM 1600 CA . LEU B 77 ? 24.62243 0.63546 -6.89716 1.000 11.76379 C ? B ? 77 CA 1
   ATOM 1601 C . LEU B 77 ? 25.42705 1.88593 -7.24325 1.000 13.33197 C ? B ? 77 C 1
   ATOM 1602 O . LEU B 77 ? 24.90501 2.99921 -7.24704 1.000 13.69021 O ? B ? 77 O 1
   ATOM 1603 CB . LEU B 77 ? 25.03327 0.09732 -5.52271 1.000 11.40007 C ? B ? 77 CB 1
   ATOM 1604 CG . LEU B 77 ? 24.68841 1.00230 -4.32966 1.000 11.39837 C ? B ? 77 CG 1
   ATOM 1605 CD1 . LEU B 77 ? 24.56220 0.24955 -3.05241 1.000 15.42355 C ? B ? 77 CD1 1
   ATOM 1606 CD2 . LEU B 77 ? 25.72185 2.08081 -4.13541 1.000 15.38668 C ? B ? 77 CD2 1
   ATOM 1607 N . PHE B 78 ? 26.71434 1.70896 -7.54289 1.000 13.67833 N ? B ? 78 N 1
   ATOM 1608 CA . PHE B 78 ? 27.60255 2.83052 -7.78425 1.000 15.03838 C ? B ? 78 CA 1
   ATOM 1609 C . PHE B 78 ? 27.34388 3.48200 -9.13103 1.000 15.52257 C ? B ? 78 C 1
   ATOM 1610 O . PHE B 78 ? 27.73460 4.63643 -9.32835 1.000 18.56518 O ? B ? 78 O 1
   ATOM 1611 CB . PHE B 78 ? 29.04390 2.37340 -7.62317 1.000 15.41917 C ? B ? 78 CB 1
   ATOM 1612 CG . PHE B 78 ? 29.30560 1.77943 -6.25904 1.000 19.05012 C ? B ? 78 CG 1
   ATOM 1613 CD1 . PHE B 78 ? 29.64980 2.61347 -5.20292 1.000 23.31841 C ? B ? 78 CD1 1
   ATOM 1614 CD2 . PHE B 78 ? 29.12815 0.41534 -6.00461 1.000 18.70365 C ? B ? 78 CD2 1
   ATOM 1615 CE1 . PHE B 78 ? 29.86258 2.10783 -3.91583 1.000 17.26567 C ? B ? 78 CE1 1
   ATOM 1616 CE2 . PHE B 78 ? 29.33225 -0.09313 -4.71141 1.000 19.83954 C ? B ? 78 CE2 1
   ATOM 1617 CZ . PHE B 78 ? 29.72013 0.76597 -3.67298 1.000 18.74085 C ? B ? 78 CZ 1
   ATOM 1618 N . GLN B 79 ? 26.63511 2.79877 -10.01938 1.000 16.74974 N ? B ? 79 N 1
   ATOM 1619 CA . GLN B 79 ? 26.23683 3.36073 -11.29702 1.000 18.08577 C ? B ? 79 CA 1
   ATOM 1620 C . GLN B 79 ? 24.93924 4.14742 -11.20005 1.000 18.13429 C ? B ? 79 C 1
   ATOM 1621 O . GLN B 79 ? 24.54211 4.78448 -12.18158 1.000 23.61530 O ? B ? 79 O 1
   ATOM 1622 CB . GLN B 79 ? 26.03254 2.22531 -12.30371 1.000 21.09975 C ? B ? 79 CB 1
   ATOM 1623 CG . GLN B 79 ? 27.24623 1.34104 -12.49315 1.000 25.02227 C ? B ? 79 CG 1
   ATOM 1624 CD . GLN B 79 ? 26.88748 -0.00986 -13.07738 1.000 35.66770 C ? B ? 79 CD 1
   ATOM 1625 OE1 . GLN B 79 ? 27.65504 -0.94958 -12.96667 1.000 24.59010 O ? B ? 79 OE1 1
   ATOM 1626 NE2 . GLN B 79 ? 25.71103 -0.11453 -13.69164 1.000 33.06576 N ? B ? 79 NE2 1
   ATOM 1627 N . ASN B 80 ? 24.24596 4.08704 -10.06368 1.000 18.99323 N ? B ? 80 N 1
   ATOM 1628 CA . ASN B 80 ? 22.92711 4.69281 -9.92755 1.000 17.85771 C ? B ? 80 CA 1
   ATOM 1629 C . ASN B 80 ? 22.79693 5.37831 -8.57100 1.000 22.78873 C ? B ? 80 C 1
   ATOM 1630 O . ASN B 80 ? 21.79675 5.22121 -7.86990 1.000 20.15545 O ? B ? 80 O 1
   ATOM 1631 CB . ASN B 80 ? 21.82371 3.64452 -10.08438 1.000 20.98535 C ? B ? 80 CB 1
   ATOM 1632 CG . ASN B 80 ? 21.82304 2.99054 -11.45361 1.000 25.50440 C ? B ? 80 CG 1
   ATOM 1633 OD1 . ASN B 80 ? 21.26545 3.52660 -12.40825 1.000 29.47286 O ? B ? 80 OD1 1
   ATOM 1634 ND2 . ASN B 80 ? 22.46115 1.83277 -11.56158 1.000 21.23391 N ? B ? 80 ND2 1
   ATOM 1635 N . LEU B 81 ? 23.80599 6.17164 -8.19086 1.000 18.45852 N ? B ? 81 N 1
   ATOM 1636 CA . LEU B 81 ? 23.85242 6.69265 -6.83014 1.000 20.70660 C ? B ? 81 CA 1
   ATOM 1637 C . LEU B 81 ? 22.64961 7.56304 -6.50494 1.000 26.89403 C ? B ? 81 C 1
   ATOM 1638 O . LEU B 81 ? 22.22863 7.61922 -5.34645 1.000 20.88408 O ? B ? 81 O 1
   ATOM 1639 CB . LEU B 81 ? 25.16093 7.43836 -6.57811 1.000 23.74191 C ? B ? 81 CB 1
   ATOM 1640 CG . LEU B 81 ? 26.34383 6.50344 -6.31284 1.000 26.59368 C ? B ? 81 CG 1
   ATOM 1641 CD1 . LEU B 81 ? 27.65778 7.28497 -6.26665 1.000 29.05813 C ? B ? 81 CD1 1
   ATOM 1642 CD2 . LEU B 81 ? 26.12813 5.71766 -5.02697 1.000 24.00401 C ? B ? 81 CD2 1
   ATOM 1643 N . GLU B 82 ? 22.06902 8.23361 -7.49779 1.000 36.88586 N ? B ? 82 N 1
   ATOM 1644 CA . GLU B 82 ? 20.91031 9.06910 -7.20502 1.000 61.61758 C ? B ? 82 CA 1
   ATOM 1645 C . GLU B 82 ? 19.68308 8.23713 -6.90580 1.000 30.08606 C ? B ? 82 C 1
   ATOM 1646 O . GLU B 82 ? 18.87578 8.60479 -6.04252 1.000 21.96894 O ? B ? 82 O 1
   ATOM 1647 CB . GLU B 82 ? 20.60529 9.96693 -8.37711 1.000 119.54527 C ? B ? 82 CB 1
   ATOM 1648 CG . GLU B 82 ? 21.52026 11.09840 -8.42961 1.000 157.06960 C ? B ? 82 CG 1
   ATOM 1649 CD . GLU B 82 ? 21.65247 11.55421 -9.80579 1.000 158.71131 C ? B ? 82 CD 1
   ATOM 1650 OE1 . GLU B 82 ? 22.72399 11.34223 -10.39793 1.000 155.43778 O ? B ? 82 OE1 1
   ATOM 1651 OE2 . GLU B 82 ? 20.64466 12.07193 -10.29572 1.000 157.30045 O ? B ? 82 OE2 1
   ATOM 1652 N . ASP B 83 ? 19.48802 7.15143 -7.65375 1.000 21.68862 N ? B ? 83 N 1
   ATOM 1653 CA . ASP B 83 ? 18.36789 6.27348 -7.35346 1.000 20.17594 C ? B ? 83 CA 1
   ATOM 1654 C . ASP B 83 ? 18.55412 5.59977 -5.99813 1.000 20.23730 C ? B ? 83 C 1
   ATOM 1655 O . ASP B 83 ? 17.59250 5.48665 -5.22151 1.000 15.63764 O ? B ? 83 O 1
   ATOM 1656 CB . ASP B 83 ? 18.18893 5.21519 -8.43794 1.000 21.83007 C ? B ? 83 CB 1
   ATOM 1657 CG . ASP B 83 ? 16.94295 4.38365 -8.21435 1.000 20.66414 C ? B ? 83 CG 1
   ATOM 1658 OD1 . ASP B 83 ? 15.87020 5.00281 -8.07305 1.000 24.90355 O ? B ? 83 OD1 1
   ATOM 1659 OD2 . ASP B 83 ? 17.01821 3.13057 -8.15601 1.000 19.15827 O ? B ? 83 OD2 1
   ATOM 1660 N . VAL B 84 ? 19.78208 5.16137 -5.68793 1.000 16.62461 N ? B ? 84 N 1
   ATOM 1661 CA . VAL B 84 ? 20.05430 4.61336 -4.35990 1.000 13.63074 C ? B ? 84 CA 1
   ATOM 1662 C . VAL B 84 ? 19.68269 5.61882 -3.29335 1.000 16.62807 C ? B ? 84 C 1
   ATOM 1663 O . VAL B 84 ? 19.05018 5.27456 -2.28882 1.000 14.80978 O ? B ? 84 O 1
   ATOM 1664 CB . VAL B 84 ? 21.53446 4.21372 -4.23550 1.000 19.04984 C ? B ? 84 CB 1
   ATOM 1665 CG1 . VAL B 84 ? 21.82633 3.66632 -2.84200 1.000 21.12634 C ? B ? 84 CG1 1
   ATOM 1666 CG2 . VAL B 84 ? 21.90433 3.19454 -5.29087 1.000 21.74356 C ? B ? 84 CG2 1
   ATOM 1667 N . GLY B 85 ? 20.07343 6.87680 -3.49105 1.000 15.64865 N ? B ? 85 N 1
   ATOM 1668 CA . GLY B 85 ? 19.73587 7.89315 -2.51500 1.000 14.10387 C ? B ? 85 CA 1
   ATOM 1669 C . GLY B 85 ? 18.23778 8.05687 -2.35132 1.000 15.66846 C ? B ? 85 C 1
   ATOM 1670 O . GLY B 85 ? 17.73848 8.26314 -1.24162 1.000 14.52470 O ? B ? 85 O 1
   ATOM 1671 N . LYS B 86 ? 17.50400 8.00232 -3.45142 1.000 13.60722 N ? B ? 86 N 1
   ATOM 1672 CA . LYS B 86 ? 16.05430 8.11206 -3.37260 1.000 16.42470 C ? B ? 86 CA 1
   ATOM 1673 C . LYS B 86 ? 15.47877 6.94978 -2.57410 1.000 13.43330 C ? B ? 86 C 1
   ATOM 1674 O . LYS B 86 ? 14.60001 7.13065 -1.72173 1.000 14.09054 O ? B ? 86 O 1
   ATOM 1675 CB . LYS B 86 ? 15.48668 8.12029 -4.79305 1.000 18.05448 C ? B ? 86 CB 1
   ATOM 1676 CG . LYS B 86 ? 13.99944 8.37321 -4.94872 1.000 23.87604 C ? B ? 86 CG 1
   ATOM 1677 CD . LYS B 86 ? 13.15508 7.11856 -4.85647 1.000 23.41759 C ? B ? 86 CD 1
   ATOM 1678 CE . LYS B 86 ? 11.71140 7.41319 -5.23798 1.000 33.76164 C ? B ? 86 CE 1
   ATOM 1679 NZ . LYS B 86 ? 10.75196 6.34701 -4.81526 1.000 25.54837 N ? B ? 86 NZ 1
   ATOM 1680 N . LEU B 87 ? 15.94731 5.72227 -2.85407 1.000 12.02190 N ? B ? 87 N 1
   ATOM 1681 CA . LEU B 87 ? 15.45355 4.56782 -2.09463 1.000 11.87588 C ? B ? 87 CA 1
   ATOM 1682 C . LEU B 87 ? 15.80872 4.68214 -0.61772 1.000 11.40896 C ? B ? 87 C 1
   ATOM 1683 O . LEU B 87 ? 15.03515 4.22354 0.24795 1.000 11.26951 O ? B ? 87 O 1
   ATOM 1684 CB . LEU B 87 ? 16.01003 3.26763 -2.67949 1.000 12.64003 C ? B ? 87 CB 1
   ATOM 1685 CG . LEU B 87 ? 15.57931 2.99144 -4.13026 1.000 12.98022 C ? B ? 87 CG 1
   ATOM 1686 CD1 . LEU B 87 ? 16.04318 1.62965 -4.53275 1.000 15.21291 C ? B ? 87 CD1 1
   ATOM 1687 CD2 . LEU B 87 ? 14.09024 3.14920 -4.39724 1.000 16.66180 C ? B ? 87 CD2 1
   ATOM 1688 N A ALA B 88 ? 16.97119 5.25931 -0.31182 0.334 12.53351 N ? B ? 88 N 1
   ATOM 1689 CA A ALA B 88 ? 17.33886 5.49835 1.07802 0.334 11.11734 C ? B ? 88 CA 1
   ATOM 1690 C A ALA B 88 ? 16.40995 6.51753 1.71891 0.334 11.08391 C ? B ? 88 C 1
   ATOM 1691 O A ALA B 88 ? 16.01875 6.36529 2.88369 0.334 12.36283 O ? B ? 88 O 1
   ATOM 1692 CB A ALA B 88 ? 18.79085 5.96448 1.17133 0.334 12.60767 C ? B ? 88 CB 1
   ATOM 1693 N B ALA B 88 ? 16.97260 5.25282 -0.31261 0.666 12.33979 N ? B ? 88 N 1
   ATOM 1694 CA B ALA B 88 ? 17.33305 5.49740 1.07801 0.666 11.07224 C ? B ? 88 CA 1
   ATOM 1695 C B ALA B 88 ? 16.39419 6.50775 1.71288 0.666 11.10478 C ? B ? 88 C 1
   ATOM 1696 O B ALA B 88 ? 15.97193 6.33785 2.86650 0.666 12.33878 O ? B ? 88 O 1
   ATOM 1697 CB B ALA B 88 ? 18.78185 5.97026 1.18899 0.666 12.49798 C ? B ? 88 CB 1
   ATOM 1698 N . ARG B 89 ? 16.03481 7.56170 0.97589 1.000 12.81861 N ? B ? 89 N 1
   ATOM 1699 CA . ARG B 89 ? 15.07864 8.52446 1.51979 1.000 12.82048 C ? B ? 89 CA 1
   ATOM 1700 C . ARG B 89 ? 13.70395 7.89829 1.73613 1.000 12.39910 C ? B ? 89 C 1
   ATOM 1701 O . ARG B 89 ? 13.03229 8.19828 2.73612 1.000 12.95110 O ? B ? 89 O 1
   ATOM 1702 CB . ARG B 89 ? 14.97015 9.74503 0.61776 1.000 15.26973 C ? B ? 89 CB 1
   ATOM 1703 CG . ARG B 89 ? 16.15075 10.69095 0.72215 1.000 27.34418 C ? B ? 89 CG 1
   ATOM 1704 CD . ARG B 89 ? 15.90296 12.01429 -0.01224 1.000 32.50086 C ? B ? 89 CD 1
   ATOM 1705 NE . ARG B 89 ? 15.51704 11.81427 -1.40358 1.000 35.09824 N ? B ? 89 NE 1
   ATOM 1706 CZ . ARG B 89 ? 16.37083 11.64203 -2.40502 1.000 36.81169 C ? B ? 89 CZ 1
   ATOM 1707 NH1 . ARG B 89 ? 17.68015 11.63222 -2.20535 1.000 27.86572 N ? B ? 89 NH1 1
   ATOM 1708 NH2 . ARG B 89 ? 15.89984 11.47885 -3.63884 1.000 33.16469 N ? B ? 89 NH2 1
   ATOM 1709 N . ASP B 90 ? 13.28865 6.98615 0.84736 1.000 13.97197 N ? B ? 90 N 1
   ATOM 1710 CA . ASP B 90 ? 12.03068 6.29641 1.07044 1.000 14.49163 C ? B ? 90 CA 1
   ATOM 1711 C . ASP B 90 ? 12.09171 5.51114 2.37178 1.000 11.50439 C ? B ? 90 C 1
   ATOM 1712 O . ASP B 90 ? 11.13233 5.50716 3.13915 1.000 11.20390 O ? B ? 90 O 1
   ATOM 1713 CB . ASP B 90 ? 11.76005 5.27382 -0.03122 1.000 14.11631 C ? B ? 90 CB 1
   ATOM 1714 CG . ASP B 90 ? 11.29330 5.87066 -1.37241 1.000 16.68283 C ? B ? 90 CG 1
   ATOM 1715 OD1 . ASP B 90 ? 11.00841 7.09491 -1.44889 1.000 17.68010 O ? B ? 90 OD1 1
   ATOM 1716 OD2 . ASP B 90 ? 11.23350 5.05255 -2.35079 1.000 17.41609 O ? B ? 90 OD2 1
   ATOM 1717 N . LEU B 91 ? 13.22648 4.85035 2.64400 1.000 10.18868 N ? B ? 91 N 1
   ATOM 1718 CA . LEU B 91 ? 13.37368 4.15859 3.91837 1.000 9.53239 C ? B ? 91 CA 1
   ATOM 1719 C . LEU B 91 ? 13.34158 5.13880 5.07545 1.000 9.29763 C ? B ? 91 C 1
   ATOM 1720 O . LEU B 91 ? 12.66604 4.86701 6.07310 1.000 10.04667 O ? B ? 91 O 1
   ATOM 1721 CB . LEU B 91 ? 14.65703 3.33125 3.93934 1.000 10.09211 C ? B ? 91 CB 1
   ATOM 1722 CG . LEU B 91 ? 14.82700 2.61101 5.28550 1.000 9.17706 C ? B ? 91 CG 1
   ATOM 1723 CD1 . LEU B 91 ? 13.82595 1.49486 5.42452 1.000 11.41343 C ? B ? 91 CD1 1
   ATOM 1724 CD2 . LEU B 91 ? 16.25979 2.08136 5.46165 1.000 10.24315 C ? B ? 91 CD2 1
   ATOM 1725 N . GLY B 92 ? 14.05160 6.27427 4.96793 1.000 9.39644 N ? B ? 92 N 1
   ATOM 1726 CA . GLY B 92 ? 14.05550 7.20046 6.08397 1.000 10.26704 C ? B ? 92 CA 1
   ATOM 1727 C . GLY B 92 ? 12.65123 7.62286 6.46642 1.000 11.48145 C ? B ? 92 C 1
   ATOM 1728 O . GLY B 92 ? 12.30608 7.67951 7.65419 1.000 11.58873 O ? B ? 92 O 1
   ATOM 1729 N . THR B 93 ? 11.83812 7.98024 5.44921 1.000 10.04674 N ? B ? 93 N 1
   ATOM 1730 CA . THR B 93 ? 10.47743 8.43214 5.69171 1.000 12.27140 C ? B ? 93 CA 1
   ATOM 1731 C . THR B 93 ? 9.62160 7.31060 6.26581 1.000 9.44585 C ? B ? 93 C 1
   ATOM 1732 O . THR B 93 ? 8.89197 7.51195 7.25364 1.000 11.43405 O ? B ? 93 O 1
   ATOM 1733 CB . THR B 93 ? 9.91366 8.94672 4.38355 1.000 11.86776 C ? B ? 93 CB 1
   ATOM 1734 OG1 . THR B 93 ? 10.70352 10.06934 3.96626 1.000 14.24513 O ? B ? 93 OG1 1
   ATOM 1735 CG2 . THR B 93 ? 8.41919 9.31510 4.50292 1.000 14.99882 C ? B ? 93 CG2 1
   ATOM 1736 N . ALA B 94 ? 9.68596 6.12002 5.67609 1.000 9.22790 N ? B ? 94 N 1
   ATOM 1737 CA . ALA B 94 ? 8.89404 5.00906 6.18485 1.000 10.33054 C ? B ? 94 CA 1
   ATOM 1738 C . ALA B 94 ? 9.29759 4.67712 7.60800 1.000 9.89843 C ? B ? 94 C 1
   ATOM 1739 O . ALA B 94 ? 8.44828 4.36255 8.44679 1.000 10.18251 O ? B ? 94 O 1
   ATOM 1740 CB . ALA B 94 ? 8.99963 3.79390 5.27101 1.000 10.92982 C ? B ? 94 CB 1
   ATOM 1741 N . ALA B 95 ? 10.60091 4.68991 7.88217 1.000 9.80910 N ? B ? 95 N 1
   ATOM 1742 CA . ALA B 95 ? 11.07694 4.31899 9.21197 1.000 9.24596 C ? B ? 95 CA 1
   ATOM 1743 C . ALA B 95 ? 10.61698 5.34044 10.24937 1.000 8.55099 C ? B ? 95 C 1
   ATOM 1744 O . ALA B 95 ? 10.21889 4.97247 11.36072 1.000 10.24324 O ? B ? 95 O 1
   ATOM 1745 CB . ALA B 95 ? 12.59431 4.21810 9.20406 1.000 9.85742 C ? B ? 95 CB 1
   ATOM 1746 N . ASN B 96 ? 10.64426 6.61759 9.92643 1.000 9.64734 N ? B ? 96 N 1
   ATOM 1747 CA . ASN B 96 ? 10.08389 7.60133 10.84996 1.000 10.21541 C ? B ? 96 CA 1
   ATOM 1748 C . ASN B 96 ? 8.58926 7.37746 11.08220 1.000 11.51127 C ? B ? 96 C 1
   ATOM 1749 O . ASN B 96 ? 8.11222 7.44939 12.22716 1.000 11.67466 O ? B ? 96 O 1
   ATOM 1750 CB . ASN B 96 ? 10.34016 9.01907 10.35579 1.000 11.34300 C ? B ? 96 CB 1
   ATOM 1751 CG . ASN B 96 ? 11.74593 9.46658 10.62274 1.000 10.42600 C ? B ? 96 CG 1
   ATOM 1752 OD1 . ASN B 96 ? 12.41760 8.99722 11.53821 1.000 13.84865 O ? B ? 96 OD1 1
   ATOM 1753 ND2 . ASN B 96 ? 12.16445 10.47543 9.87444 1.000 14.61571 N ? B ? 96 ND2 1
   ATOM 1754 N . ALA B 97 ? 7.86360 6.96806 10.03802 1.000 11.39249 N ? B ? 97 N 1
   ATOM 1755 CA . ALA B 97 ? 6.45304 6.65385 10.22933 1.000 13.10742 C ? B ? 97 CA 1
   ATOM 1756 C . ALA B 97 ? 6.26116 5.43243 11.13394 1.000 10.68637 C ? B ? 97 C 1
   ATOM 1757 O . ALA B 97 ? 5.27347 5.35981 11.87512 1.000 12.16207 O ? B ? 97 O 1
   ATOM 1758 CB . ALA B 97 ? 5.77909 6.43340 8.87826 1.000 14.12366 C ? B ? 97 CB 1
   ATOM 1759 N . LEU B 98 ? 7.16542 4.44255 11.05424 1.000 10.65637 N ? B ? 98 N 1
   ATOM 1760 CA . LEU B 98 ? 7.09981 3.27372 11.92853 1.000 9.70112 C ? B ? 98 CA 1
   ATOM 1761 C . LEU B 98 ? 7.34314 3.67717 13.37848 1.000 9.76388 C ? B ? 98 C 1
   ATOM 1762 O . LEU B 98 ? 6.64863 3.19720 14.28201 1.000 10.78362 O ? B ? 98 O 1
   ATOM 1763 CB . LEU B 98 ? 8.11915 2.25191 11.43458 1.000 10.65984 C ? B ? 98 CB 1
   ATOM 1764 CG . LEU B 98 ? 8.30864 1.01651 12.29981 1.000 9.89381 C ? B ? 98 CG 1
   ATOM 1765 CD1 . LEU B 98 ? 6.99581 0.26690 12.51630 1.000 12.24702 C ? B ? 98 CD1 1
   ATOM 1766 CD2 . LEU B 98 ? 9.39989 0.11935 11.68074 1.000 12.55175 C ? B ? 98 CD2 1
   ATOM 1767 N . ALA B 99 ? 8.32258 4.55337 13.63123 1.000 10.62833 N ? B ? 99 N 1
   ATOM 1768 CA . ALA B 99 ? 8.55119 4.99662 15.00805 1.000 10.94929 C ? B ? 99 CA 1
   ATOM 1769 C . ALA B 99 ? 7.35308 5.77715 15.54569 1.000 10.47519 C ? B ? 99 C 1
   ATOM 1770 O . ALA B 99 ? 6.97342 5.62400 16.70708 1.000 9.85268 O ? B ? 99 O 1
   ATOM 1771 CB . ALA B 99 ? 9.83365 5.83680 15.07760 1.000 12.94729 C ? B ? 99 CB 1
   ATOM 1772 N . ALA B 100 ? 6.73501 6.61338 14.70390 1.000 11.08986 N ? B ? 100 N 1
   ATOM 1773 CA . ALA B 100 ? 5.52495 7.30755 15.13303 1.000 11.91072 C ? B ? 100 CA 1
   ATOM 1774 C . ALA B 100 ? 4.38377 6.34524 15.41068 1.000 13.43070 C ? B ? 100 C 1
   ATOM 1775 O . ALA B 100 ? 3.68367 6.49516 16.42688 1.000 13.51966 O ? B ? 100 O 1
   ATOM 1776 CB . ALA B 100 ? 5.12588 8.35540 14.09707 1.000 14.22177 C ? B ? 100 CB 1
   ATOM 1777 N . ALA B 101 ? 4.17494 5.33662 14.55269 1.000 11.78124 N ? B ? 101 N 1
   ATOM 1778 CA . ALA B 101 ? 3.13533 4.34370 14.81975 1.000 12.33420 C ? B ? 101 CA 1
   ATOM 1779 C . ALA B 101 ? 3.41684 3.62505 16.12097 1.000 10.85206 C ? B ? 101 C 1
   ATOM 1780 O . ALA B 101 ? 2.50138 3.39497 16.92346 1.000 12.27676 O ? B ? 101 O 1
   ATOM 1781 CB . ALA B 101 ? 3.01219 3.33961 13.67851 1.000 13.30943 C ? B ? 101 CB 1
   ATOM 1782 N . ALA B 102 ? 4.68152 3.24051 16.35484 1.000 10.14650 N ? B ? 102 N 1
   ATOM 1783 CA . ALA B 102 ? 5.00625 2.48546 17.55844 1.000 11.42050 C ? B ? 102 CA 1
   ATOM 1784 C . ALA B 102 ? 4.76590 3.31650 18.81183 1.000 11.29845 C ? B ? 102 C 1
   ATOM 1785 O . ALA B 102 ? 4.34434 2.79984 19.84830 1.000 12.17083 O ? B ? 102 O 1
   ATOM 1786 CB . ALA B 102 ? 6.46246 2.05557 17.50086 1.000 10.52227 C ? B ? 102 CB 1
   ATOM 1787 N . ALA B 103 ? 5.01085 4.61256 18.72246 1.000 10.95755 N ? B ? 103 N 1
   ATOM 1788 CA . ALA B 103 ? 4.74264 5.51676 19.83458 1.000 12.93829 C ? B ? 103 CA 1
   ATOM 1789 C . ALA B 103 ? 3.27522 5.47423 20.26222 1.000 14.97776 C ? B ? 103 C 1
   ATOM 1790 O . ALA B 103 ? 2.96017 5.72480 21.43753 1.000 15.60325 O ? B ? 103 O 1
   ATOM 1791 CB . ALA B 103 ? 5.16145 6.94141 19.46121 1.000 14.97974 C ? B ? 103 CB 1
   ATOM 1792 N . THR B 104 ? 2.35472 5.18085 19.34220 1.000 12.96481 N ? B ? 104 N 1
   ATOM 1793 CA . THR B 104 ? 0.94160 5.15233 19.72169 1.000 13.43078 C ? B ? 104 CA 1
   ATOM 1794 C . THR B 104 ? 0.61358 3.91533 20.52814 1.000 14.97201 C ? B ? 104 C 1
   ATOM 1795 O . THR B 104 ? -0.44989 3.86996 21.15779 1.000 14.09103 O ? B ? 104 O 1
   ATOM 1796 CB . THR B 104 ? 0.00895 5.16072 18.49696 1.000 12.57033 C ? B ? 104 CB 1
   ATOM 1797 OG1 . THR B 104 ? 0.06669 3.91509 17.82446 1.000 14.26992 O ? B ? 104 OG1 1
   ATOM 1798 CG2 . THR B 104 ? 0.32006 6.29518 17.51008 1.000 15.34812 C ? B ? 104 CG2 1
   ATOM 1799 N . GLY B 105 ? 1.47190 2.89899 20.48883 1.000 12.26945 N ? B ? 105 N 1
   ATOM 1800 CA . GLY B 105 ? 1.24437 1.65172 21.18454 1.000 14.08433 C ? B ? 105 CA 1
   ATOM 1801 C . GLY B 105 ? 0.21750 0.72554 20.56142 1.000 11.80303 C ? B ? 105 C 1
   ATOM 1802 O . GLY B 105 ? -0.16207 -0.26446 21.20112 1.000 12.70351 O ? B ? 105 O 1
   ATOM 1803 N . GLU B 106 ? -0.22198 0.98976 19.32510 1.000 13.00464 N ? B ? 106 N 1
   ATOM 1804 CA . GLU B 106 ? -1.29385 0.22642 18.67606 1.000 13.38244 C ? B ? 106 CA 1
   ATOM 1805 C . GLU B 106 ? -0.71763 -0.68504 17.59700 1.000 10.98219 C ? B ? 106 C 1
   ATOM 1806 O . GLU B 106 ? -0.18297 -0.22200 16.57393 1.000 11.67114 O ? B ? 106 O 1
   ATOM 1807 CB . GLU B 106 ? -2.36800 1.13864 18.10003 1.000 14.01037 C ? B ? 106 CB 1
   ATOM 1808 CG . GLU B 106 ? -2.94277 2.07864 19.15177 1.000 13.83093 C ? B ? 106 CG 1
   ATOM 1809 CD . GLU B 106 ? -3.73048 1.36108 20.24610 1.000 14.85188 C ? B ? 106 CD 1
   ATOM 1810 OE1 . GLU B 106 ? -4.34990 0.32210 19.96918 1.000 16.78652 O ? B ? 106 OE1 1
   ATOM 1811 OE2 . GLU B 106 ? -3.71007 1.84486 21.40185 1.000 19.22643 O ? B ? 106 OE2 1
   ATOM 1812 N . ALA B 107 ? -0.84012 -1.99020 17.82580 1.000 11.89566 N ? B ? 107 N 1
   ATOM 1813 CA . ALA B 107 ? -0.25537 -2.98787 16.94182 1.000 12.88761 C ? B ? 107 CA 1
   ATOM 1814 C . ALA B 107 ? -0.68044 -2.81301 15.48993 1.000 12.40557 C ? B ? 107 C 1
   ATOM 1815 O . ALA B 107 ? 0.13400 -2.99222 14.58504 1.000 12.80878 O ? B ? 107 O 1
   ATOM 1816 CB . ALA B 107 ? -0.56785 -4.41627 17.42465 1.000 13.47869 C ? B ? 107 CB 1
   ATOM 1817 N . ASN B 108 ? -1.95445 -2.51228 15.23474 1.000 12.48685 N ? B ? 108 N 1
   ATOM 1818 CA . ASN B 108 ? -2.38268 -2.43152 13.83858 1.000 14.10165 C ? B ? 108 CA 1
   ATOM 1819 C . ASN B 108 ? -1.73969 -1.24571 13.10709 1.000 11.70741 C ? B ? 108 C 1
   ATOM 1820 O . ASN B 108 ? -1.43981 -1.36335 11.91907 1.000 13.09543 O ? B ? 108 O 1
   ATOM 1821 CB . ASN B 108 ? -3.91743 -2.38566 13.73924 1.000 21.33547 C ? B ? 108 CB 1
   ATOM 1822 CG . ASN B 108 ? -4.53145 -1.26543 14.59337 1.000 47.06859 C ? B ? 108 CG 1
   ATOM 1823 OD1 . ASN B 108 ? -3.82693 -0.53346 15.29164 1.000 52.46004 O ? B ? 108 OD1 1
   ATOM 1824 ND2 . ASN B 108 ? -5.84413 -1.11671 14.52076 1.000 54.08912 N ? B ? 108 ND2 1
   ATOM 1825 N . ALA B 109 ? -1.48235 -0.12313 13.77273 1.000 12.49356 N ? B ? 109 N 1
   ATOM 1826 CA . ALA B 109 ? -0.78728 0.97184 13.10002 1.000 10.92478 C ? B ? 109 CA 1
   ATOM 1827 C . ALA B 109 ? 0.64599 0.57040 12.79644 1.000 12.22346 C ? B ? 109 C 1
   ATOM 1828 O . ALA B 109 ? 1.19292 0.89632 11.73493 1.000 13.68502 O ? B ? 109 O 1
   ATOM 1829 CB . ALA B 109 ? -0.81641 2.21160 13.97240 1.000 13.37270 C ? B ? 109 CB 1
   ATOM 1830 N . VAL B 110 ? 1.28059 -0.13373 13.72995 1.000 11.02330 N ? B ? 110 N 1
   ATOM 1831 CA . VAL B 110 ? 2.62855 -0.62465 13.49582 1.000 10.21711 C ? B ? 110 CA 1
   ATOM 1832 C . VAL B 110 ? 2.64256 -1.64828 12.37065 1.000 11.32436 C ? B ? 110 C 1
   ATOM 1833 O . VAL B 110 ? 3.56405 -1.65790 11.55036 1.000 11.39061 O ? B ? 110 O 1
   ATOM 1834 CB . VAL B 110 ? 3.20726 -1.17671 14.81249 1.000 11.17654 C ? B ? 110 CB 1
   ATOM 1835 CG1 . VAL B 110 ? 4.48878 -1.98508 14.56715 1.000 10.41000 C ? B ? 110 CG1 1
   ATOM 1836 CG2 . VAL B 110 ? 3.45250 -0.03075 15.77219 1.000 12.39407 C ? B ? 110 CG2 1
   ATOM 1837 N . LYS B 111 ? 1.62813 -2.51369 12.28666 1.000 10.75091 N ? B ? 111 N 1
   ATOM 1838 CA . LYS B 111 ? 1.60488 -3.51481 11.22645 1.000 10.97095 C ? B ? 111 CA 1
   ATOM 1839 C . LYS B 111 ? 1.70107 -2.84698 9.85977 1.000 12.82822 C ? B ? 111 C 1
   ATOM 1840 O . LYS B 111 ? 2.48519 -3.27888 8.99943 1.000 13.02353 O ? B ? 111 O 1
   ATOM 1841 CB . LYS B 111 ? 0.30613 -4.31688 11.33850 1.000 13.13522 C ? B ? 111 CB 1
   ATOM 1842 CG . LYS B 111 ? 0.25472 -5.52543 10.38635 1.000 14.79914 C ? B ? 111 CG 1
   ATOM 1843 CD . LYS B 111 ? -0.97430 -6.39632 10.65892 1.000 17.32268 C ? B ? 111 CD 1
   ATOM 1844 CE . LYS B 111 ? -2.23898 -5.64436 10.31371 1.000 22.31735 C ? B ? 111 CE 1
   ATOM 1845 NZ . LYS B 111 ? -3.40767 -6.55724 10.33553 1.000 38.19734 N ? B ? 111 NZ 1
   ATOM 1846 N . SER B 112 ? 0.90132 -1.79867 9.64030 1.000 12.13811 N ? B ? 112 N 1
   ATOM 1847 CA . SER B 112 ? 0.91908 -1.09183 8.36694 1.000 12.14546 C ? B ? 112 CA 1
   ATOM 1848 C . SER B 112 ? 2.27180 -0.42871 8.13424 1.000 11.87685 C ? B ? 112 C 1
   ATOM 1849 O . SER B 112 ? 2.85489 -0.51909 7.04298 1.000 11.94969 O ? B ? 112 O 1
   ATOM 1850 CB . SER B 112 ? -0.19718 -0.04887 8.35745 1.000 13.34133 C ? B ? 112 CB 1
   ATOM 1851 OG . SER B 112 ? -0.12856 0.66237 7.14261 1.000 14.64214 O ? B ? 112 OG 1
   ATOM 1852 N . ALA B 113 ? 2.75964 0.28326 9.14301 1.000 10.45045 N ? B ? 113 N 1
   ATOM 1853 CA . ALA B 113 ? 4.01115 1.01116 8.96882 1.000 10.28820 C ? B ? 113 CA 1
   ATOM 1854 C . ALA B 113 ? 5.19772 0.05746 8.79376 1.000 8.79378 C ? B ? 113 C 1
   ATOM 1855 O . ALA B 113 ? 6.09803 0.34468 7.98069 1.000 10.81875 O ? B ? 113 O 1
   ATOM 1856 CB . ALA B 113 ? 4.22904 1.97976 10.12930 1.000 12.02060 C ? B ? 113 CB 1
   ATOM 1857 N . PHE B 114 ? 5.14260 -1.10883 9.41377 1.000 9.83269 N ? B ? 114 N 1
   ATOM 1858 CA . PHE B 114 ? 6.21779 -2.08525 9.31462 1.000 10.47973 C ? B ? 114 CA 1
   ATOM 1859 C . PHE B 114 ? 6.24859 -2.68209 7.92517 1.000 10.87986 C ? B ? 114 C 1
   ATOM 1860 O . PHE B 114 ? 7.32240 -2.91544 7.37124 1.000 10.78218 O ? B ? 114 O 1
   ATOM 1861 CB . PHE B 114 ? 5.95307 -3.15915 10.35387 1.000 9.91015 C ? B ? 114 CB 1
   ATOM 1862 CG . PHE B 114 ? 6.95090 -4.28268 10.36422 1.000 10.14222 C ? B ? 114 CG 1
   ATOM 1863 CD1 . PHE B 114 ? 8.26670 -4.03275 10.80002 1.000 11.11424 C ? B ? 114 CD1 1
   ATOM 1864 CD2 . PHE B 114 ? 6.59926 -5.57006 10.01076 1.000 11.49909 C ? B ? 114 CD2 1
   ATOM 1865 CE1 . PHE B 114 ? 9.20089 -5.03011 10.84373 1.000 12.20619 C ? B ? 114 CE1 1
   ATOM 1866 CE2 . PHE B 114 ? 7.55273 -6.58267 10.07164 1.000 14.91526 C ? B ? 114 CE2 1
   ATOM 1867 CZ . PHE B 114 ? 8.85096 -6.30372 10.48304 1.000 12.81852 C ? B ? 114 CZ 1
   ATOM 1868 N . ALA B 115 ? 5.06828 -2.89264 7.32269 1.000 11.34038 N ? B ? 115 N 1
   ATOM 1869 CA . ALA B 115 ? 5.01510 -3.35190 5.93788 1.000 10.72968 C ? B ? 115 CA 1
   ATOM 1870 C . ALA B 115 ? 5.66923 -2.34724 5.01367 1.000 11.25918 C ? B ? 115 C 1
   ATOM 1871 O . ALA B 115 ? 6.42763 -2.74010 4.12091 1.000 12.32022 O ? B ? 115 O 1
   ATOM 1872 CB . ALA B 115 ? 3.56389 -3.57440 5.52476 1.000 13.25899 C ? B ? 115 CB 1
   ATOM 1873 N . ASP B 116 ? 5.41190 -1.05846 5.22033 1.000 10.28120 N ? B ? 116 N 1
   ATOM 1874 CA . ASP B 116 ? 5.99271 -0.04687 4.34446 1.000 11.83707 C ? B ? 116 CA 1
   ATOM 1875 C . ASP B 116 ? 7.51490 0.00236 4.48168 1.000 10.51207 C ? B ? 116 C 1
   ATOM 1876 O . ASP B 116 ? 8.23582 0.18201 3.49532 1.000 11.81582 O ? B ? 116 O 1
   ATOM 1877 CB . ASP B 116 ? 5.40730 1.33493 4.62470 1.000 12.79307 C ? B ? 116 CB 1
   ATOM 1878 CG . ASP B 116 ? 3.93492 1.44555 4.25483 1.000 19.86006 C ? B ? 116 CG 1
   ATOM 1879 OD1 . ASP B 116 ? 3.38168 0.48194 3.69788 1.000 20.41677 O ? B ? 116 OD1 1
   ATOM 1880 OD2 . ASP B 116 ? 3.33346 2.49960 4.55079 1.000 19.82043 O ? B ? 116 OD2 1
   ATOM 1881 N . VAL B 117 ? 8.02363 -0.11322 5.70296 1.000 10.12086 N ? B ? 117 N 1
   ATOM 1882 CA . VAL B 117 ? 9.46874 -0.16989 5.89895 1.000 9.01381 C ? B ? 117 CA 1
   ATOM 1883 C . VAL B 117 ? 10.04744 -1.38371 5.19778 1.000 8.89467 C ? B ? 117 C 1
   ATOM 1884 O . VAL B 117 ? 11.05514 -1.26448 4.48707 1.000 9.11658 O ? B ? 117 O 1
   ATOM 1885 CB . VAL B 117 ? 9.81816 -0.14262 7.40059 1.000 10.09985 C ? B ? 117 CB 1
   ATOM 1886 CG1 . VAL B 117 ? 11.30832 -0.34844 7.58438 1.000 10.83911 C ? B ? 117 CG1 1
   ATOM 1887 CG2 . VAL B 117 ? 9.42819 1.18583 7.99197 1.000 10.25271 C ? B ? 117 CG2 1
   ATOM 1888 N . GLY B 118 ? 9.48399 -2.57502 5.44520 1.000 9.49329 N ? B ? 118 N 1
   ATOM 1889 CA . GLY B 118 ? 10.01649 -3.77225 4.83681 1.000 10.43642 C ? B ? 118 CA 1
   ATOM 1890 C . GLY B 118 ? 10.06208 -3.65218 3.32315 1.000 11.37052 C ? B ? 118 C 1
   ATOM 1891 O . GLY B 118 ? 11.01225 -4.10887 2.67499 1.000 11.98843 O ? B ? 118 O 1
   ATOM 1892 N . ALA B 119 ? 9.02234 -3.07282 2.73662 1.000 11.59201 N ? B ? 119 N 1
   ATOM 1893 CA . ALA B 119 ? 9.02784 -2.89547 1.29217 1.000 13.20075 C ? B ? 119 CA 1
   ATOM 1894 C . ALA B 119 ? 10.16816 -1.97794 0.85111 1.000 11.33776 C ? B ? 119 C 1
   ATOM 1895 O . ALA B 119 ? 10.76676 -2.20044 -0.21217 1.000 12.56265 O ? B ? 119 O 1
   ATOM 1896 CB . ALA B 119 ? 7.67671 -2.36379 0.83316 1.000 14.33890 C ? B ? 119 CB 1
   ATOM 1897 N . ALA B 120 ? 10.47987 -0.94287 1.64827 1.000 11.52449 N ? B ? 120 N 1
   ATOM 1898 CA . ALA B 120 ? 11.59822 -0.06642 1.31937 1.000 9.92046 C ? B ? 120 CA 1
   ATOM 1899 C . ALA B 120 ? 12.94692 -0.78276 1.41121 1.000 10.44425 C ? B ? 120 C 1
   ATOM 1900 O . ALA B 120 ? 13.83329 -0.54540 0.57216 1.000 11.75305 O ? B ? 120 O 1
   ATOM 1901 CB . ALA B 120 ? 11.56486 1.17938 2.19553 1.000 11.20466 C ? B ? 120 CB 1
   ATOM 1902 N . CYS B 121 ? 13.15454 -1.62280 2.42526 1.000 10.29179 N ? B ? 121 N 1
   ATOM 1903 CA . CYS B 121 ? 14.38755 -2.40567 2.46873 1.000 9.61243 C ? B ? 121 CA 1
   ATOM 1904 C . CYS B 121 ? 14.48676 -3.24780 1.21214 1.000 8.94171 C ? B ? 121 C 1
   ATOM 1905 O . CYS B 121 ? 15.52875 -3.29864 0.55000 1.000 11.19059 O ? B ? 121 O 1
   ATOM 1906 CB . CYS B 121 ? 14.42036 -3.31907 3.70111 1.000 10.32667 C ? B ? 121 CB 1
   ATOM 1907 SG . CYS B 121 ? 13.89055 -2.69818 5.30422 1.000 10.45500 S ? B ? 121 SG 1
   ATOM 1908 N . LYS B 122 ? 13.39817 -3.94885 0.88618 1.000 10.32776 N ? B ? 122 N 1
   ATOM 1909 CA . LYS B 122 ? 13.42198 -4.92333 -0.19695 1.000 12.01600 C ? B ? 122 CA 1
   ATOM 1910 C . LYS B 122 ? 13.63637 -4.23814 -1.53602 1.000 13.05107 C ? B ? 122 C 1
   ATOM 1911 O . LYS B 122 ? 14.33392 -4.78414 -2.40321 1.000 12.84729 O ? B ? 122 O 1
   ATOM 1912 CB . LYS B 122 ? 12.08430 -5.66013 -0.22406 1.000 12.37620 C ? B ? 122 CB 1
   ATOM 1913 CG . LYS B 122 ? 11.95360 -6.68138 -1.34629 1.000 22.64222 C ? B ? 122 CG 1
   ATOM 1914 CD . LYS B 122 ? 10.59462 -7.38951 -1.30056 1.000 35.98394 C ? B ? 122 CD 1
   ATOM 1915 CE . LYS B 122 ? 10.57697 -8.53387 -2.29703 1.000 44.54818 C ? B ? 122 CE 1
   ATOM 1916 NZ . LYS B 122 ? 9.24819 -9.15422 -2.53727 1.000 44.49872 N ? B ? 122 NZ 1
   ATOM 1917 N . ALA B 123 ? 13.05587 -3.05089 -1.72315 1.000 11.62610 N ? B ? 123 N 1
   ATOM 1918 CA . ALA B 123 ? 13.16251 -2.36092 -3.00312 1.000 14.52436 C ? B ? 123 CA 1
   ATOM 1919 C . ALA B 123 ? 14.61686 -2.08794 -3.31616 1.000 13.29453 C ? B ? 123 C 1
   ATOM 1920 O . ALA B 123 ? 15.07838 -2.26196 -4.45862 1.000 13.85664 O ? B ? 123 O 1
   ATOM 1921 CB . ALA B 123 ? 12.35419 -1.05403 -2.97926 1.000 15.51294 C ? B ? 123 CB 1
   ATOM 1922 N . CYS B 124 ? 15.36760 -1.64623 -2.30911 1.000 12.45192 N ? B ? 124 N 1
   ATOM 1923 CA . CYS B 124 ? 16.77939 -1.37232 -2.53205 1.000 12.27538 C ? B ? 124 CA 1
   ATOM 1924 C . CYS B 124 ? 17.57299 -2.65965 -2.71546 1.000 11.62372 C ? B ? 124 C 1
   ATOM 1925 O . CYS B 124 ? 18.41229 -2.75257 -3.62544 1.000 12.54919 O ? B ? 124 O 1
   ATOM 1926 CB . CYS B 124 ? 17.32831 -0.56416 -1.36696 1.000 10.38603 C ? B ? 124 CB 1
   ATOM 1927 SG . CYS B 124 ? 19.03814 -0.06011 -1.73000 1.000 10.69964 S ? B ? 124 SG 1
   ATOM 1928 N A HIS B 125 ? 17.31507 -3.66859 -1.89100 0.895 10.23976 N ? B ? 125 N 1
   ATOM 1929 CA A HIS B 125 ? 18.06578 -4.91102 -2.01868 0.895 10.25077 C ? B ? 125 CA 1
   ATOM 1930 C A HIS B 125 ? 17.89377 -5.53086 -3.39221 0.895 12.88791 C ? B ? 125 C 1
   ATOM 1931 O A HIS B 125 ? 18.86315 -6.05805 -3.96717 0.895 12.04473 O ? B ? 125 O 1
   ATOM 1932 CB A HIS B 125 ? 17.63953 -5.92376 -0.95189 0.895 11.46526 C ? B ? 125 CB 1
   ATOM 1933 CG A HIS B 125 ? 18.00139 -5.48603 0.43501 0.895 10.71051 C ? B ? 125 CG 1
   ATOM 1934 ND1 A HIS B 125 ? 17.38363 -5.94743 1.57414 0.895 10.63461 N ? B ? 125 ND1 1
   ATOM 1935 CD2 A HIS B 125 ? 18.91296 -4.56975 0.85164 0.895 8.32332 C ? B ? 125 CD2 1
   ATOM 1936 CE1 A HIS B 125 ? 17.90463 -5.33374 2.63217 0.895 9.43766 C ? B ? 125 CE1 1
   ATOM 1937 NE2 A HIS B 125 ? 18.85666 -4.51413 2.21947 0.895 8.84585 N ? B ? 125 NE2 1
   ATOM 1938 N B HIS B 125 ? 17.30947 -3.66438 -1.87131 0.105 10.39501 N ? B ? 125 N 1
   ATOM 1939 CA B HIS B 125 ? 17.99531 -4.95051 -1.96041 0.105 10.45644 C ? B ? 125 CA 1
   ATOM 1940 C B HIS B 125 ? 17.88044 -5.53329 -3.35815 0.105 12.78499 C ? B ? 125 C 1
   ATOM 1941 O B HIS B 125 ? 18.87363 -5.98320 -3.94644 0.105 12.07551 O ? B ? 125 O 1
   ATOM 1942 CB B HIS B 125 ? 17.36537 -5.92784 -0.96618 0.105 11.69109 C ? B ? 125 CB 1
   ATOM 1943 CG B HIS B 125 ? 17.68299 -5.62900 0.46272 0.105 10.48590 C ? B ? 125 CG 1
   ATOM 1944 ND1 B HIS B 125 ? 16.73133 -5.65067 1.45818 0.105 11.22020 N ? B ? 125 ND1 1
   ATOM 1945 CD2 B HIS B 125 ? 18.84996 -5.30621 1.06428 0.105 10.69112 C ? B ? 125 CD2 1
   ATOM 1946 CE1 B HIS B 125 ? 17.29754 -5.34815 2.61131 0.105 9.81281 C ? B ? 125 CE1 1
   ATOM 1947 NE2 B HIS B 125 ? 18.58441 -5.14654 2.40113 0.105 10.27836 N ? B ? 125 NE2 1
   ATOM 1948 N . GLN B 126 ? 16.65427 -5.53426 -3.89618 1.000 11.31881 N ? B ? 126 N 1
   ATOM 1949 CA . GLN B 126 ? 16.37437 -6.19621 -5.16379 1.000 13.41540 C ? B ? 126 CA 1
   ATOM 1950 C . GLN B 126 ? 17.22177 -5.61267 -6.27485 1.000 15.70141 C ? B ? 126 C 1
   ATOM 1951 O . GLN B 126 ? 17.67066 -6.34671 -7.15530 1.000 15.42233 O ? B ? 126 O 1
   ATOM 1952 CB . GLN B 126 ? 14.90008 -6.05085 -5.49282 1.000 15.98554 C ? B ? 126 CB 1
   ATOM 1953 CG . GLN B 126 ? 13.94421 -6.73104 -4.57702 1.000 30.16954 C ? B ? 126 CG 1
   ATOM 1954 CD . GLN B 126 ? 12.57056 -6.46531 -5.08367 1.000 55.50667 C ? B ? 126 CD 1
   ATOM 1955 OE1 . GLN B 126 ? 12.38602 -5.48304 -5.78771 1.000 63.51937 O ? B ? 126 OE1 1
   ATOM 1956 NE2 . GLN B 126 ? 11.62335 -7.37224 -4.84365 1.000 71.06620 N ? B ? 126 NE2 1
   ATOM 1957 N . LYS B 127 ? 17.48055 -4.31883 -6.23630 1.000 14.50878 N ? B ? 127 N 1
   ATOM 1958 CA . LYS B 127 ? 18.28013 -3.68251 -7.27571 1.000 14.09487 C ? B ? 127 CA 1
   ATOM 1959 C . LYS B 127 ? 19.77326 -3.73727 -6.99577 1.000 13.67156 C ? B ? 127 C 1
   ATOM 1960 O . LYS B 127 ? 20.58107 -3.82690 -7.94267 1.000 14.44588 O ? B ? 127 O 1
   ATOM 1961 CB . LYS B 127 ? 17.90016 -2.21968 -7.41068 1.000 14.04354 C ? B ? 127 CB 1
   ATOM 1962 CG . LYS B 127 ? 16.57049 -1.95882 -8.07766 1.000 17.60872 C ? B ? 127 CG 1
   ATOM 1963 CD . LYS B 127 ? 16.29551 -0.46582 -8.04247 1.000 19.87792 C ? B ? 127 CD 1
   ATOM 1964 CE . LYS B 127 ? 15.17544 -0.04552 -8.97259 1.000 24.25522 C ? B ? 127 CE 1
   ATOM 1965 NZ . LYS B 127 ? 14.85953 1.40758 -8.76922 1.000 21.66769 N ? B ? 127 NZ 1
   ATOM 1966 N . TYR B 128 ? 20.18006 -3.59611 -5.71958 1.000 12.77869 N ? B ? 128 N 1
   ATOM 1967 CA . TYR B 128 ? 21.53733 -3.15475 -5.43311 1.000 11.38994 C ? B ? 128 CA 1
   ATOM 1968 C . TYR B 128 ? 22.32599 -4.01016 -4.45432 1.000 12.17286 C ? B ? 128 C 1
   ATOM 1969 O . TYR B 128 ? 23.50534 -3.71214 -4.22638 1.000 12.88922 O ? B ? 128 O 1
   ATOM 1970 CB . TYR B 128 ? 21.48426 -1.74092 -4.87502 1.000 12.52670 C ? B ? 128 CB 1
   ATOM 1971 CG . TYR B 128 ? 20.89623 -0.74973 -5.86956 1.000 12.13139 C ? B ? 128 CG 1
   ATOM 1972 CD1 . TYR B 128 ? 21.39636 -0.67732 -7.17845 1.000 12.98430 C ? B ? 128 CD1 1
   ATOM 1973 CD2 . TYR B 128 ? 19.83304 0.09196 -5.53108 1.000 14.26142 C ? B ? 128 CD2 1
   ATOM 1974 CE1 . TYR B 128 ? 20.86462 0.22793 -8.09811 1.000 14.42764 C ? B ? 128 CE1 1
   ATOM 1975 CE2 . TYR B 128 ? 19.31008 0.96753 -6.43872 1.000 13.94901 C ? B ? 128 CE2 1
   ATOM 1976 CZ . TYR B 128 ? 19.83907 1.03855 -7.72545 1.000 13.35093 C ? B ? 128 CZ 1
   ATOM 1977 OH . TYR B 128 ? 19.31689 1.91648 -8.65456 1.000 17.40751 O ? B ? 128 OH 1
   ATOM 1978 N . ARG B 129 ? 21.75527 -5.06883 -3.90362 1.000 11.00209 N ? B ? 129 N 1
   ATOM 1979 CA . ARG B 129 ? 22.45456 -5.91017 -2.94775 1.000 11.66329 C ? B ? 129 CA 1
   ATOM 1980 C . ARG B 129 ? 22.53612 -7.31160 -3.50814 1.000 13.01585 C ? B ? 129 C 1
   ATOM 1981 O . ARG B 129 ? 21.52765 -7.85757 -3.96843 1.000 14.74572 O ? B ? 129 O 1
   ATOM 1982 CB . ARG B 129 ? 21.71532 -5.90040 -1.61271 1.000 12.48516 C ? B ? 129 CB 1
   ATOM 1983 CG . ARG B 129 ? 22.48770 -6.67755 -0.56900 1.000 12.55274 C ? B ? 129 CG 1
   ATOM 1984 CD . ARG B 129 ? 21.70679 -6.94420 0.71734 1.000 12.09056 C ? B ? 129 CD 1
   ATOM 1985 NE . ARG B 129 ? 20.58853 -7.85670 0.51237 1.000 12.53936 N ? B ? 129 NE 1
   ATOM 1986 CZ . ARG B 129 ? 19.80027 -8.25011 1.49564 1.000 14.09651 C ? B ? 129 CZ 1
   ATOM 1987 NH1 . ARG B 129 ? 19.96364 -7.81201 2.73503 1.000 13.73787 N ? B ? 129 NH1 1
   ATOM 1988 NH2 . ARG B 129 ? 18.84317 -9.14071 1.25299 1.000 16.64686 N ? B ? 129 NH2 1
   ATOM 1989 N . ALA B 130 ? 23.72211 -7.90285 -3.45172 1.000 13.04092 N ? B ? 130 N 1
   ATOM 1990 CA . ALA B 130 ? 23.90075 -9.25800 -3.94783 1.000 15.66861 C ? B ? 130 CA 1
   ATOM 1991 C . ALA B 130 ? 23.29189 -10.23252 -2.95351 1.000 39.04098 C ? B ? 130 C 1
   ATOM 1992 O . ALA B 130 ? 23.42379 -10.06400 -1.74064 1.000 20.04706 O ? B ? 130 O 1
   ATOM 1993 CB . ALA B 130 ? 25.39144 -9.54698 -4.09719 1.000 17.68365 C ? B ? 130 CB 1
   ATOM 1994 N . ASP B 131 ? 22.60428 -11.24300 -3.47051 1.000 95.73289 N ? B ? 131 N 1
   ATOM 1995 CA . ASP B 131 ? 21.91257 -12.20850 -2.62477 1.000 156.12922 C ? B ? 131 CA 1
   ATOM 1996 C . ASP B 131 ? 22.87843 -13.27497 -2.09708 1.000 164.39510 C ? B ? 131 C 1
   ATOM 1997 O . ASP B 131 ? 23.96569 -13.47395 -2.64503 1.000 171.25234 O ? B ? 131 O 1
   ATOM 1998 CB . ASP B 131 ? 20.75849 -12.84124 -3.40678 1.000 220.76867 C ? B ? 131 CB 1
   ATOM 1999 CG . ASP B 131 ? 21.20005 -13.34077 -4.75442 1.000 279.81953 C ? B ? 131 CG 1
   ATOM 2000 OD1 . ASP B 131 ? 22.40904 -13.58487 -4.87204 1.000 342.06334 O ? B ? 131 OD1 1
   ATOM 2001 OD2 . ASP B 131 ? 20.37649 -13.47091 -5.68696 1.000 265.57370 O ? B ? 131 OD2 1
   HETATM 2002 NB . HEC A 200 ? 30.83128 0.83420 23.12972 1.000 9.37937 N ? C ? . NB 1
   HETATM 2003 ND . HEC A 200 ? 31.82890 -3.16804 23.82886 1.000 10.17105 N ? C ? . ND 1
   HETATM 2004 C1A . HEC A 200 ? 32.91641 -2.29717 21.13378 1.000 7.61451 C ? C ? . C1A 1
   HETATM 2005 C1B . HEC A 200 ? 31.31738 1.63570 22.10374 1.000 6.92987 C ? C ? . C1B 1
   HETATM 2006 C1C . HEC A 200 ? 29.55472 -0.08630 25.72381 1.000 7.68082 C ? C ? . C1C 1
   HETATM 2007 C1D . HEC A 200 ? 31.49954 -3.84651 24.95439 1.000 7.81590 C ? C ? . C1D 1
   HETATM 2008 C2A . HEC A 200 ? 33.44725 -1.89909 19.85288 1.000 8.31675 C ? C ? . C2A 1
   HETATM 2009 C2B . HEC A 200 ? 30.83888 2.94519 22.30062 1.000 7.60499 C ? C ? . C2B 1
   HETATM 2010 C2C . HEC A 200 ? 28.97803 -0.45821 27.00093 1.000 8.63840 C ? C ? . C2C 1
   HETATM 2011 C2D . HEC A 200 ? 31.91764 -5.18557 24.78406 1.000 8.28502 C ? C ? . C2D 1
   HETATM 2012 C3A . HEC A 200 ? 33.28434 -0.58890 19.71383 1.000 7.54808 C ? C ? . C3A 1
   HETATM 2013 C3B . HEC A 200 ? 30.02213 2.91734 23.41150 1.000 8.04981 C ? C ? . C3B 1
   HETATM 2014 C3C . HEC A 200 ? 29.33377 -1.71928 27.22596 1.000 7.54642 C ? C ? . C3C 1
   HETATM 2015 C3D . HEC A 200 ? 32.50563 -5.26356 23.43127 1.000 9.26037 C ? C ? . C3D 1
   HETATM 2016 C4A . HEC A 200 ? 32.61564 -0.11282 20.91408 1.000 7.89611 C ? C ? . C4A 1
   HETATM 2017 C4B . HEC A 200 ? 30.05807 1.60797 23.96095 1.000 7.01968 C ? C ? . C4B 1
   HETATM 2018 C4C . HEC A 200 ? 30.19628 -2.13400 26.13368 1.000 7.68053 C ? C ? . C4C 1
   HETATM 2019 C4D . HEC A 200 ? 32.43266 -3.95507 22.88596 1.000 9.11122 C ? C ? . C4D 1
   HETATM 2020 CAB . HEC A 200 ? 29.32525 4.07462 24.13483 1.000 8.15411 C ? C ? . CAB 1
   HETATM 2021 CAC . HEC A 200 ? 29.05013 -2.57172 28.47332 1.000 8.68944 C ? C ? . CAC 1
   HETATM 2022 CAD . HEC A 200 ? 33.01897 -6.48482 22.75615 1.000 8.74056 C ? C ? . CAD 1
   HETATM 2023 CBB . HEC A 200 ? 28.45898 4.93726 23.16050 1.000 9.35937 C ? C ? . CBB 1
   HETATM 2024 CBC . HEC A 200 ? 27.67877 -2.31630 29.19334 1.000 9.36630 C ? C ? . CBC 1
   HETATM 2025 CBD . HEC A 200 ? 31.82545 -7.11299 22.00231 1.000 9.12151 C ? C ? . CBD 1
   HETATM 2026 CGD . HEC A 200 ? 32.22389 -8.40071 21.41223 1.000 7.53386 C ? C ? . CGD 1
   HETATM 2027 CHA . HEC A 200 ? 32.89521 -3.54012 21.66103 1.000 7.56153 C ? C ? . CHA 1
   HETATM 2028 CHB . HEC A 200 ? 32.21613 1.17428 21.14478 1.000 8.50666 C ? C ? . CHB 1
   HETATM 2029 CHC . HEC A 200 ? 29.43053 1.14802 25.11044 1.000 7.46375 C ? C ? . CHC 1
   HETATM 2030 CHD . HEC A 200 ? 30.81134 -3.36766 26.05807 1.000 8.30782 C ? C ? . CHD 1
   HETATM 2031 CMA . HEC A 200 ? 33.66555 0.29266 18.51175 1.000 10.79717 C ? C ? . CMA 1
   HETATM 2032 CMB . HEC A 200 ? 31.19230 4.11345 21.37940 1.000 8.31822 C ? C ? . CMB 1
   HETATM 2033 CMC . HEC A 200 ? 28.12183 0.55632 27.80208 1.000 8.82594 C ? C ? . CMC 1
   HETATM 2034 CMD . HEC A 200 ? 31.72879 -6.30665 25.74974 1.000 8.22725 C ? C ? . CMD 1
   HETATM 2035 NA . HEC A 200 ? 32.42917 -1.19092 21.73644 1.000 7.03846 N ? C ? . NA 1
   HETATM 2036 NC . HEC A 200 ? 30.31820 -1.09723 25.23765 1.000 7.33569 N ? C ? . NC 1
   HETATM 2037 O1D . HEC A 200 ? 33.25911 -8.46440 20.73689 1.000 9.15236 O ? C ? . O1D 1
   HETATM 2038 O2D . HEC A 200 ? 31.48648 -9.43434 21.54890 1.000 9.49288 O ? C ? . O2D 1
   HETATM 2039 FE . HEC A 200 ? 31.52119 -1.06971 23.59919 1.000 7.45992 Fe ? C ? . FE 1
   HETATM 2040 CAA A HEC A 200 ? 34.06140 -2.84190 18.79235 0.526 11.00188 C ? C ? . CAA 1
   HETATM 2041 CBA A HEC A 200 ? 32.87647 -3.47236 18.03906 0.526 13.77606 C ? C ? . CBA 1
   HETATM 2042 CGA A HEC A 200 ? 33.22173 -4.41947 16.91578 0.526 12.66119 C ? C ? . CGA 1
   HETATM 2043 O1A A HEC A 200 ? 33.62382 -5.57074 17.19982 0.526 11.62196 O ? C ? . O1A 1
   HETATM 2044 O2A A HEC A 200 ? 33.02183 -4.05615 15.72229 0.526 15.19519 O ? C ? . O2A 1
   HETATM 2045 CAA B HEC A 200 ? 34.05166 -2.81689 18.77722 0.474 11.04909 C ? C ? . CAA 1
   HETATM 2046 CBA B HEC A 200 ? 32.86738 -3.32397 17.93457 0.474 13.66266 C ? C ? . CBA 1
   HETATM 2047 CGA B HEC A 200 ? 33.33522 -3.91992 16.63753 0.474 19.47211 C ? C ? . CGA 1
   HETATM 2048 O1A B HEC A 200 ? 34.53963 -3.79576 16.36403 0.474 18.96774 O ? C ? . O1A 1
   HETATM 2049 O2A B HEC A 200 ? 32.51374 -4.47750 15.86474 0.474 22.51374 O ? C ? . O2A 1
   HETATM 2050 CD . CD A 201 ? 20.39178 -7.06482 42.40188 1.000 13.86601 Cd ? D ? . CD 1
   HETATM 2051 CD . CD A 202 ? 40.86936 -1.89367 29.04465 0.684 13.06783 Cd ? E ? . CD 1
   HETATM 2052 CD . CD A 203 ? 30.48216 14.85208 33.05645 0.465 12.47136 Cd ? F ? . CD 1
   HETATM 2053 CD . CD A 204 ? 39.97478 -11.94347 32.09307 0.271 15.35339 Cd ? G ? . CD 1
   HETATM 2054 CD . CD A 205 ? 19.29282 -16.80473 12.86169 0.476 23.52887 Cd ? H ? . CD 1
   HETATM 2055 CL . CL A 206 ? 21.84546 -7.96956 44.22737 1.000 17.90670 Cl ? I ? . CL 1
   HETATM 2056 C1 . PEG A 207 ? 25.83964 -3.96668 39.90025 1.000 31.26924 C ? J ? . C1 1
   HETATM 2057 C2 . PEG A 207 ? 24.40205 -4.18644 39.52519 1.000 28.59499 C ? J ? . C2 1
   HETATM 2058 C3 . PEG A 207 ? 22.15562 -3.62246 39.98613 1.000 23.53686 C ? J ? . C3 1
   HETATM 2059 C4 . PEG A 207 ? 21.88137 -3.42886 38.51762 1.000 43.32582 C ? J ? . C4 1
   HETATM 2060 O1 . PEG A 207 ? 26.28658 -2.63085 39.79538 1.000 35.74222 O ? J ? . O1 1
   HETATM 2061 O2 . PEG A 207 ? 23.50936 -3.42630 40.29705 1.000 41.26388 O ? J ? . O2 1
   HETATM 2062 O4 . PEG A 207 ? 20.54637 -3.03955 38.33578 1.000 40.59369 O ? J ? . O4 1
   HETATM 2063 C1 . PG4 A 208 ? 22.31098 -16.16257 32.87000 0.917 26.86017 C ? K ? . C1 1
   HETATM 2064 C2 . PG4 A 208 ? 22.48755 -15.96552 31.37769 0.917 22.28457 C ? K ? . C2 1
   HETATM 2065 C3 . PG4 A 208 ? 24.15946 -15.79338 29.66584 0.917 13.61145 C ? K ? . C3 1
   HETATM 2066 C4 . PG4 A 208 ? 25.62726 -15.94325 29.43341 0.917 16.41251 C ? K ? . C4 1
   HETATM 2067 C5 . PG4 A 208 ? 27.42671 -17.44013 29.30034 0.917 19.18763 C ? K ? . C5 1
   HETATM 2068 C6 . PG4 A 208 ? 27.85177 -18.87941 29.45765 0.917 22.07418 C ? K ? . C6 1
   HETATM 2069 C7 . PG4 A 208 ? 27.82883 -20.96566 28.42160 0.917 29.35279 C ? K ? . C7 1
   HETATM 2070 C8 . PG4 A 208 ? 29.32945 -21.04631 28.28124 0.917 30.95004 C ? K ? . C8 1
   HETATM 2071 O1 . PG4 A 208 ? 22.43541 -17.52043 33.24395 0.917 33.66888 O ? K ? . O1 1
   HETATM 2072 O2 . PG4 A 208 ? 23.85001 -16.09490 31.02281 0.917 25.57495 O ? K ? . O2 1
   HETATM 2073 O3 . PG4 A 208 ? 26.05962 -17.28807 29.62295 0.917 17.64028 O ? K ? . O3 1
   HETATM 2074 O4 . PG4 A 208 ? 27.38649 -19.62390 28.36427 0.917 19.99964 O ? K ? . O4 1
   HETATM 2075 O5 . PG4 A 208 ? 29.73421 -21.11187 26.92423 0.917 27.74252 O ? K ? . O5 1
   HETATM 2076 O . HOH A 301 ? 28.66389 2.44453 31.78738 0.945 9.40889 O ? L ? . O 1
   HETATM 2077 O . HOH A 302 ? 34.57928 -6.33959 19.58152 0.924 11.12903 O ? L ? . O 1
   HETATM 2078 O . HOH A 303 ? 23.05597 0.55063 26.78321 1.000 12.63778 O ? L ? . O 1
   HETATM 2079 O . HOH A 304 ? 17.82737 14.34024 19.05976 1.000 12.83347 O ? L ? . O 1
   HETATM 2080 O . HOH A 305 ? 38.96252 -4.81190 22.02401 0.948 12.46581 O ? L ? . O 1
   HETATM 2081 O . HOH A 306 ? 28.87683 3.82328 34.17094 1.000 12.50043 O ? L ? . O 1
   HETATM 2082 O . HOH A 307 ? 15.68653 2.12129 21.20974 1.000 14.79721 O ? L ? . O 1
   HETATM 2083 O . HOH A 308 ? 20.97088 19.52700 18.28437 1.000 11.85013 O ? L ? . O 1
   HETATM 2084 O . HOH A 309 ? 16.36267 -7.06708 22.95087 0.913 12.64368 O ? L ? . O 1
   HETATM 2085 O . HOH A 310 ? 18.82539 27.17435 27.35948 0.921 12.76633 O ? L ? . O 1
   HETATM 2086 O . HOH A 311 ? 28.50415 8.43784 32.54355 1.000 16.38311 O ? L ? . O 1
   HETATM 2087 O . HOH A 312 ? 26.15887 15.56532 33.32596 0.929 11.47928 O ? L ? . O 1
   HETATM 2088 O . HOH A 313 ? 32.05156 17.32748 25.82840 1.000 17.51899 O ? L ? . O 1
   HETATM 2089 O . HOH A 314 ? 32.63381 9.16056 13.06540 0.995 17.61042 O ? L ? . O 1
   HETATM 2090 O . HOH A 315 ? 26.91324 -8.46395 38.82382 0.988 15.12342 O ? L ? . O 1
   HETATM 2091 O . HOH A 316 ? 22.17896 21.40705 19.81384 0.981 14.21211 O ? L ? . O 1
   HETATM 2092 O . HOH A 317 ? 40.48579 -8.92799 22.21831 0.900 13.32441 O ? L ? . O 1
   HETATM 2093 O . HOH A 318 ? 22.51711 -18.12090 23.46939 0.998 15.46702 O ? L ? . O 1
   HETATM 2094 O . HOH A 319 ? 39.43022 -3.74982 29.73972 0.992 14.04018 O ? L ? . O 1
   HETATM 2095 O . HOH A 320 ? 39.04314 -0.66926 28.31700 0.961 14.08911 O ? L ? . O 1
   HETATM 2096 O . HOH A 321 ? 25.89164 -2.83911 26.09550 1.000 14.20222 O ? L ? . O 1
   HETATM 2097 O . HOH A 322 ? 24.58461 13.11307 11.86810 0.976 15.82268 O ? L ? . O 1
   HETATM 2098 O . HOH A 323 ? 23.84615 10.47678 11.94794 0.541 10.69888 O ? L ? . O 1
   HETATM 2099 O . HOH A 324 ? 34.47120 0.76567 35.23671 0.921 14.20265 O ? L ? . O 1
   HETATM 2100 O . HOH A 325 ? 42.07509 -0.04579 28.28974 1.000 18.57800 O ? L ? . O 1
   HETATM 2101 O . HOH A 326 ? 21.57153 24.00862 19.13253 1.000 18.72727 O ? L ? . O 1
   HETATM 2102 O . HOH A 327 ? 16.91205 10.88373 13.58936 1.000 16.00078 O ? L ? . O 1
   HETATM 2103 O . HOH A 328 ? 32.41065 11.28160 24.64953 0.785 15.15321 O ? L ? . O 1
   HETATM 2105 O . HOH A 330 ? 32.09537 0.68898 36.80222 0.898 15.03867 O ? L ? . O 1
   HETATM 2106 O . HOH A 331 ? 34.31927 6.35216 32.74423 0.974 16.79388 O ? L ? . O 1
   HETATM 2107 O . HOH A 332 ? 26.60037 -13.17804 35.78349 1.000 19.45257 O ? L ? . O 1
   HETATM 2108 O . HOH A 333 ? 21.97942 18.79990 9.03411 0.754 14.40913 O ? L ? . O 1
   HETATM 2109 O . HOH A 334 ? 37.16382 2.63260 25.67832 1.000 17.30551 O ? L ? . O 1
   HETATM 2110 O . HOH A 335 ? 26.38485 -19.93367 16.88104 0.854 18.19352 O ? L ? . O 1
   HETATM 2111 O . HOH A 336 ? 19.27285 -12.42551 21.19470 0.797 16.21981 O ? L ? . O 1
   HETATM 2112 O . HOH A 337 ? 30.05206 16.18987 31.07626 0.752 13.02046 O ? L ? . O 1
   HETATM 2113 O . HOH A 338 ? 19.19775 16.17377 28.48121 0.586 9.97606 O ? L ? . O 1
   HETATM 2114 O . HOH A 339 ? 15.60444 14.67508 17.28749 0.845 14.81798 O ? L ? . O 1
   HETATM 2115 O . HOH A 340 ? 29.08869 1.96188 38.35300 0.657 15.94340 O ? L ? . O 1
   HETATM 2116 O . HOH A 341 ? 28.95203 -7.09142 13.22676 0.776 18.65262 O ? L ? . O 1
   HETATM 2117 O . HOH A 342 ? 25.01012 -11.03099 37.97406 1.000 20.34509 O ? L ? . O 1
   HETATM 2118 O . HOH A 343 ? 20.77170 -1.59701 24.31818 0.776 14.24926 O ? L ? . O 1
   HETATM 2119 O . HOH A 344 ? 32.60510 2.27343 13.99087 0.994 22.17893 O ? L ? . O 1
   HETATM 2120 O . HOH A 345 ? 35.30188 12.89099 15.11138 1.000 21.08813 O ? L ? . O 1
   HETATM 2121 O . HOH A 346 ? 29.43646 -0.72841 38.84833 0.901 16.09987 O ? L ? . O 1
   HETATM 2122 O . HOH A 347 ? 31.82659 9.22792 8.05661 0.947 18.98293 O ? L ? . O 1
   HETATM 2123 O . HOH A 348 ? 42.50913 -0.42952 25.66498 0.795 16.99684 O ? L ? . O 1
   HETATM 2124 O . HOH A 349 ? 20.20537 25.93380 20.26322 0.617 16.66816 O ? L ? . O 1
   HETATM 2125 O . HOH A 350 ? 26.64366 10.82587 7.55647 0.911 22.54975 O ? L ? . O 1
   HETATM 2127 O . HOH A 352 ? 18.31186 10.59005 31.01323 0.717 19.40838 O ? L ? . O 1
   HETATM 2128 O . HOH A 353 ? 15.46547 23.64700 18.24925 0.684 12.97254 O ? L ? . O 1
   HETATM 2130 O B HOH A 354 ? 13.27483 24.45371 27.00036 0.724 12.74220 O ? L ? . O 1
   HETATM 2131 O . HOH A 356 ? 22.48518 24.22341 13.52868 0.596 15.38436 O ? L ? . O 1
   HETATM 2132 O . HOH A 357 ? 16.37517 7.53888 19.33307 0.834 16.01571 O ? L ? . O 1
   HETATM 2133 O . HOH A 358 ? 15.54216 26.40852 27.14937 0.782 17.06617 O ? L ? . O 1
   HETATM 2137 O . HOH A 363 ? 21.96423 23.79468 26.92767 0.749 16.37509 O ? L ? . O 1
   HETATM 2138 O . HOH A 364 ? 35.92599 4.63026 33.71553 0.998 23.74986 O ? L ? . O 1
   HETATM 2139 O . HOH A 365 ? 22.96612 -10.85941 39.90054 0.792 18.56978 O ? L ? . O 1
   HETATM 2140 O A HOH A 366 ? 24.26641 7.63832 33.39178 0.463 13.24447 O ? L ? . O 1
   HETATM 2141 O B HOH A 366 ? 25.62875 7.76775 32.88143 0.537 17.47763 O ? L ? . O 1
   HETATM 2142 O . HOH A 367 ? 30.57413 26.24960 6.15429 1.000 29.11849 O ? L ? . O 1
   HETATM 2143 O . HOH A 368 ? 33.72121 7.42322 17.51189 0.631 23.19118 O ? L ? . O 1
   HETATM 2144 O . HOH A 369 ? 34.75227 -11.84038 37.85316 0.884 28.02514 O ? L ? . O 1
   HETATM 2145 O . HOH A 370 ? 23.03372 26.03215 24.86823 0.943 24.19875 O ? L ? . O 1
   HETATM 2146 O . HOH A 371 ? 41.20747 -1.22305 31.44078 1.000 13.27410 O ? L ? . O 1
   HETATM 2147 O . HOH A 372 ? 29.93221 6.32915 33.48943 0.909 12.65407 O ? L ? . O 1
   HETATM 2148 O . HOH A 373 ? 15.70395 -9.63424 22.19668 1.000 14.28055 O ? L ? . O 1
   HETATM 2149 O . HOH A 374 ? 36.46581 -4.69702 20.84133 0.923 10.85380 O ? L ? . O 1
   HETATM 2150 O . HOH A 375 ? 30.59037 3.02010 36.27146 0.945 13.66841 O ? L ? . O 1
   HETATM 2151 O . HOH A 376 ? 24.81726 -0.68812 24.76066 0.943 15.13613 O ? L ? . O 1
   HETATM 2152 O . HOH A 377 ? 21.16929 16.75992 30.27784 0.699 12.08590 O ? L ? . O 1
   HETATM 2153 O . HOH A 378 ? 32.38351 6.84122 34.62537 0.761 17.98967 O ? L ? . O 1
   HETATM 2154 O . HOH A 379 ? 25.72716 -6.82550 40.78443 0.954 20.06267 O ? L ? . O 1
   HETATM 2155 O . HOH A 380 ? 28.00113 -5.87315 10.95099 0.725 16.68881 O ? L ? . O 1
   HETATM 2156 O . HOH A 381 ? 32.11528 28.40306 5.28660 0.915 19.82143 O ? L ? . O 1
   HETATM 2157 O . HOH A 382 ? 40.08814 -11.12192 29.60016 0.996 21.53311 O ? L ? . O 1
   HETATM 2158 O . HOH A 383 ? 20.26758 -16.91714 24.60858 0.890 18.55967 O ? L ? . O 1
   HETATM 2159 O . HOH A 384 ? 29.79311 10.62079 33.83518 0.905 21.19762 O ? L ? . O 1
   HETATM 2160 O A HOH A 385 ? 39.54202 2.65654 25.06427 0.565 14.88722 O ? L ? . O 1
   HETATM 2161 O B HOH A 385 ? 39.22146 2.44211 23.48104 0.435 14.07598 O ? L ? . O 1
   HETATM 2163 O . HOH A 387 ? 38.72789 2.13158 27.88306 0.804 17.81593 O ? L ? . O 1
   HETATM 2164 O . HOH A 388 ? 28.25860 17.67330 33.32003 0.987 26.26494 O ? L ? . O 1
   HETATM 2165 O . HOH A 389 ? 34.27889 6.61615 25.15012 0.640 17.63994 O ? L ? . O 1
   HETATM 2166 O . HOH A 390 ? 30.55994 -4.39696 13.72463 0.801 21.78956 O ? L ? . O 1
   HETATM 2168 O . HOH A 392 ? 33.59149 9.84248 22.67225 0.878 25.80865 O ? L ? . O 1
   HETATM 2169 O A HOH A 393 ? 11.81721 -18.24728 20.54460 0.811 18.96652 O ? L ? . O 1
   HETATM 2172 O . HOH A 395 ? 37.53115 -14.53389 22.77705 0.864 21.03266 O ? L ? . O 1
   HETATM 2173 O . HOH A 396 ? 36.79892 -0.11729 36.31826 0.980 28.04527 O ? L ? . O 1
   HETATM 2175 O . HOH A 398 ? 34.86561 3.50576 35.86225 0.765 18.29416 O ? L ? . O 1
   HETATM 2176 O . HOH A 399 ? 40.41852 -14.67319 20.27133 0.829 23.40361 O ? L ? . O 1
   HETATM 2177 O . HOH A 400 ? 23.72852 -9.36866 12.87510 0.737 20.05292 O ? L ? . O 1
   HETATM 2178 O . HOH A 401 ? 37.99002 -12.29918 24.72853 0.807 18.03196 O ? L ? . O 1
   HETATM 2179 O . HOH A 402 ? 30.59253 14.08523 35.65611 0.929 25.03407 O ? L ? . O 1
   HETATM 2180 O . HOH A 403 ? 18.42008 15.65145 11.91847 1.000 26.52884 O ? L ? . O 1
   HETATM 2181 O . HOH A 404 ? 16.92308 25.85504 19.37256 1.000 28.28958 O ? L ? . O 1
   HETATM 2182 O . HOH A 405 ? 35.79205 8.52824 31.78963 1.000 49.04535 O ? L ? . O 1
   HETATM 2184 O . HOH A 407 ? 18.04283 -14.78857 21.28806 0.967 30.03311 O ? L ? . O 1
   HETATM 2187 O . HOH A 409 ? 23.88683 25.62373 11.55847 0.625 20.58013 O ? L ? . O 1
   HETATM 2192 O . HOH A 415 ? 26.37914 24.98957 11.26494 0.901 24.79255 O ? L ? . O 1
   HETATM 2193 O . HOH A 416 ? 36.63611 15.32053 15.54666 0.991 25.07261 O ? L ? . O 1
   HETATM 2194 O . HOH A 417 ? 29.01836 19.98100 11.03846 0.906 22.06813 O ? L ? . O 1
   HETATM 2195 O . HOH A 418 ? 33.37558 18.71296 23.64051 0.644 18.31307 O ? L ? . O 1
   HETATM 2196 O . HOH A 420 ? 30.89799 25.33601 25.47033 0.947 27.73328 O ? L ? . O 1
   HETATM 2198 O . HOH A 422 ? 20.43583 -11.27758 41.36629 0.828 40.83720 O ? L ? . O 1
   HETATM 2201 O . HOH A 428 ? 29.38999 -8.06899 39.91806 0.753 27.01703 O ? L ? . O 1
   HETATM 2203 O . HOH A 431 ? 35.47099 18.81188 13.16596 0.973 26.50936 O ? L ? . O 1
   HETATM 2206 O . HOH A 437 ? 24.18768 12.52849 29.40259 0.388 12.81452 O ? L ? . O 1
   HETATM 2213 O B HOH A 446 ? 26.11648 30.35393 29.37336 0.465 24.89678 O ? L ? . O 1
   HETATM 2218 O . HOH A 456 ? 20.24971 25.54959 14.84994 0.789 28.64249 O ? L ? . O 1
   HETATM 2220 O . HOH A 458 ? 39.59263 -11.33975 22.77794 0.993 17.74887 O ? L ? . O 1
   HETATM 2221 O . HOH A 459 ? 32.59698 4.88787 36.62354 0.856 17.29176 O ? L ? . O 1
   HETATM 2222 O . HOH A 460 ? 24.53968 -8.08318 42.83151 1.000 23.55123 O ? L ? . O 1
   HETATM 2223 O . HOH A 461 ? 33.21719 21.28790 22.82647 0.930 29.41395 O ? L ? . O 1
   HETATM 2227 O . HOH A 464 ? 30.65601 -21.84535 30.95229 1.000 29.70236 O ? L ? . O 1
   HETATM 2231 O . HOH A 468 ? 39.34151 -12.81393 36.86817 0.879 23.17032 O ? L ? . O 1
   HETATM 2232 O . HOH A 470 ? 35.36978 9.29309 29.09330 0.640 26.98652 O ? L ? . O 1
   HETATM 2246 O . HOH A 497 ? 33.35053 6.29712 20.03091 0.550 19.68105 O ? L ? . O 1
   HETATM 2247 O . HOH A 498 ? 12.97554 14.38615 18.15959 0.945 34.32849 O ? L ? . O 1
   HETATM 2248 O . HOH A 499 ? 19.99208 -14.17535 11.27036 0.993 13.01916 O ? L ? . O 1
   HETATM 2250 O A HOH A 501 ? 42.82687 -3.45653 29.13246 0.500 16.58661 O ? L ? . O 1
   HETATM 2251 O B HOH A 501 ? 42.10690 -3.76431 29.90538 0.500 21.55554 O ? L ? . O 1
   HETATM 2254 O . HOH A 504 ? 16.91585 13.44006 12.52264 1.000 36.79606 O ? L ? . O 1
   HETATM 2255 O . HOH A 505 ? 23.67960 27.59083 20.72253 0.999 35.72703 O ? L ? . O 1
   HETATM 2272 O . HOH A 527 ? 36.91439 16.58918 13.11623 0.634 24.23883 O ? L ? . O 1
   HETATM 2279 O . HOH A 536 ? 21.59365 16.15470 9.47233 0.817 22.15589 O ? L ? . O 1
   HETATM 2281 NB . HEC B 201 ? 18.67748 -3.16615 4.83231 1.000 8.24054 N ? M ? . NB 1
   HETATM 2282 ND . HEC B 201 ? 21.78255 -3.29571 2.30751 1.000 9.80223 N ? M ? . ND 1
   HETATM 2283 C1A . HEC B 201 ? 22.14011 -5.53718 4.24369 1.000 9.08794 C ? M ? . C1A 1
   HETATM 2284 C1B . HEC B 201 ? 18.35586 -4.07209 5.78835 1.000 8.58203 C ? M ? . C1B 1
   HETATM 2285 C1C . HEC B 201 ? 18.34253 -0.91948 2.87187 1.000 9.04430 C ? M ? . C1C 1
   HETATM 2286 C1D . HEC B 201 ? 22.01386 -2.46788 1.22678 1.000 9.30504 C ? M ? . C1D 1
   HETATM 2287 C2A . HEC B 201 ? 22.21078 -6.70507 5.07539 1.000 10.24520 C ? M ? . C2A 1
   HETATM 2288 C2B . HEC B 201 ? 17.06566 -3.76669 6.38646 1.000 8.06092 C ? M ? . C2B 1
   HETATM 2289 C2C . HEC B 201 ? 18.13042 0.13591 1.89393 1.000 8.99700 C ? M ? . C2C 1
   HETATM 2290 C2D . HEC B 201 ? 23.30075 -2.68970 0.60881 1.000 9.88908 C ? M ? . C2D 1
   HETATM 2291 C3A . HEC B 201 ? 21.10487 -6.71934 5.87750 1.000 9.54084 C ? M ? . C3A 1
   HETATM 2292 C3B . HEC B 201 ? 16.65494 -2.62745 5.83934 1.000 8.53365 C ? M ? . C3B 1
   HETATM 2293 C3C . HEC B 201 ? 19.16435 0.08320 1.02268 1.000 8.54157 C ? M ? . C3C 1
   HETATM 2294 C3D . HEC B 201 ? 23.87510 -3.74859 1.41158 1.000 8.74223 C ? M ? . C3D 1
   HETATM 2295 C4A . HEC B 201 ? 20.32224 -5.56490 5.53149 1.000 8.81151 C ? M ? . C4A 1
   HETATM 2296 C4B . HEC B 201 ? 17.62288 -2.27142 4.80195 1.000 8.23274 C ? M ? . C4B 1
   HETATM 2297 C4C . HEC B 201 ? 20.00505 -1.05449 1.41431 1.000 8.96516 C ? M ? . C4C 1
   HETATM 2298 C4D . HEC B 201 ? 22.89587 -4.08971 2.42162 1.000 9.22917 C ? M ? . C4D 1
   HETATM 2299 CAA . HEC B 201 ? 23.38688 -7.69285 4.95023 1.000 13.46348 C ? M ? . CAA 1
   HETATM 2300 CAB . HEC B 201 ? 15.30733 -1.86214 6.01274 1.000 8.89378 C ? M ? . CAB 1
   HETATM 2301 CAC . HEC B 201 ? 19.44945 0.86402 -0.27003 1.000 10.31404 C ? M ? . CAC 1
   HETATM 2302 CAD . HEC B 201 ? 25.26311 -4.36486 1.24885 1.000 10.41754 C ? M ? . CAD 1
   HETATM 2303 CBA . HEC B 201 ? 24.05563 -7.87821 6.26495 1.000 13.92426 C ? M ? . CBA 1
   HETATM 2304 CBB . HEC B 201 ? 14.99126 -1.53838 7.50612 1.000 9.97396 C ? M ? . CBB 1
   HETATM 2305 CBC . HEC B 201 ? 18.93648 2.33136 -0.25264 1.000 11.06136 C ? M ? . CBC 1
   HETATM 2306 CBD . HEC B 201 ? 26.25450 -3.58611 2.16242 1.000 9.83496 C ? M ? . CBD 1
   HETATM 2307 CGA . HEC B 201 ? 24.73442 -6.59894 6.62951 1.000 10.94169 C ? M ? . CGA 1
   HETATM 2308 CGD . HEC B 201 ? 27.68432 -4.03169 1.97981 1.000 9.83921 C ? M ? . CGD 1
   HETATM 2309 CHA . HEC B 201 ? 23.04997 -5.12683 3.30442 1.000 8.64095 C ? M ? . CHA 1
   HETATM 2310 CHB . HEC B 201 ? 19.11180 -5.19123 6.11735 1.000 9.18514 C ? M ? . CHB 1
   HETATM 2311 CHC . HEC B 201 ? 17.53699 -1.19063 3.96549 1.000 8.72146 C ? M ? . CHC 1
   HETATM 2312 CHD . HEC B 201 ? 21.15807 -1.48519 0.79297 1.000 10.37659 C ? M ? . CHD 1
   HETATM 2313 CMA . HEC B 201 ? 20.71022 -7.73089 6.95904 1.000 10.99900 C ? M ? . CMA 1
   HETATM 2314 CMB . HEC B 201 ? 16.39620 -4.56515 7.51150 1.000 9.30989 C ? M ? . CMB 1
   HETATM 2315 CMC . HEC B 201 ? 16.89085 1.05331 1.96997 1.000 11.35504 C ? M ? . CMC 1
   HETATM 2316 CMD . HEC B 201 ? 23.92724 -1.96615 -0.58284 1.000 10.72133 C ? M ? . CMD 1
   HETATM 2317 NA . HEC B 201 ? 20.96729 -4.90023 4.51879 1.000 9.38713 N ? M ? . NA 1
   HETATM 2318 NC . HEC B 201 ? 19.50057 -1.63496 2.55559 1.000 8.98162 N ? M ? . NC 1
   HETATM 2319 O1A . HEC B 201 ? 24.65785 -6.31341 7.87462 1.000 13.55331 O ? M ? . O1A 1
   HETATM 2320 O1D . HEC B 201 ? 27.89870 -5.26593 2.05039 1.000 10.31777 O ? M ? . O1D 1
   HETATM 2321 O2A . HEC B 201 ? 25.28920 -5.86620 5.79464 1.000 12.79996 O ? M ? . O2A 1
   HETATM 2322 O2D . HEC B 201 ? 28.56778 -3.15877 1.75838 1.000 11.45582 O ? M ? . O2D 1
   HETATM 2323 FE . HEC B 201 ? 20.11753 -3.34482 3.43620 1.000 8.32863 Fe ? M ? . FE 1
   HETATM 2324 CD . CD B 202 ? -7.03879 -5.49546 13.84171 0.619 72.51805 Cd ? N ? . CD 1
   HETATM 2325 CD . CD B 203 ? 4.83984 1.57109 28.59326 0.806 60.46523 Cd ? O ? . CD 1
   HETATM 2326 CD . CD B 204 ? 17.25054 -10.86609 -4.67496 0.779 69.65423 Cd ? P ? . CD 1
   HETATM 2327 CD . CD B 205 ? 36.40856 1.72080 -7.49625 0.437 65.66924 Cd ? Q ? . CD 1
   HETATM 2328 O . HOH B 301 ? 40.08588 4.98619 10.65197 1.000 9.43557 O ? R ? . O 1
   HETATM 2330 O . HOH B 303 ? 19.07308 9.47559 13.15863 1.000 10.69468 O ? R ? . O 1
   HETATM 2331 O . HOH B 304 ? 26.28851 -6.92256 3.48121 0.982 12.91828 O ? R ? . O 1
   HETATM 2332 O . HOH B 305 ? 4.36335 0.09424 20.26255 0.989 12.35229 O ? R ? . O 1
   HETATM 2333 O . HOH B 306 ? 4.09385 -14.71158 21.88131 0.992 12.34634 O ? R ? . O 1
   HETATM 2334 O . HOH B 307 ? 13.59432 1.93198 -0.68693 0.967 13.06132 O ? R ? . O 1
   HETATM 2335 O . HOH B 308 ? 17.83463 5.28344 4.76213 0.969 13.63859 O ? R ? . O 1
   HETATM 2336 O . HOH B 309 ? -1.53435 -2.67967 20.63205 0.844 11.76671 O ? R ? . O 1
   HETATM 2337 O . HOH B 310 ? 4.38758 -2.23064 26.51790 0.979 14.10219 O ? R ? . O 1
   HETATM 2338 O A HOH B 311 ? -4.43926 -6.95048 14.84727 0.685 10.62580 O ? R ? . O 1
   HETATM 2339 O B HOH B 311 ? -3.59382 -5.89419 13.61560 0.315 26.24775 O ? R ? . O 1
   HETATM 2340 O . HOH B 312 ? 11.34200 2.39335 -2.14097 0.968 14.88964 O ? R ? . O 1
   HETATM 2341 O . HOH B 313 ? 6.05014 -9.81683 23.31419 0.974 11.42110 O ? R ? . O 1
   HETATM 2342 O . HOH B 314 ? 6.17084 3.13185 7.53399 0.955 13.41595 O ? R ? . O 1
   HETATM 2343 O A HOH B 315 ? 14.11840 -5.12989 24.17881 0.461 8.74578 O ? R ? . O 1
   HETATM 2344 O B HOH B 315 ? 14.51662 -5.12273 23.10294 0.539 8.23597 O ? R ? . O 1
   HETATM 2345 O . HOH B 316 ? 14.46266 4.15301 22.16446 0.778 13.57823 O ? R ? . O 1
   HETATM 2346 O . HOH B 317 ? 7.67334 1.45245 1.13162 1.000 17.23956 O ? R ? . O 1
   HETATM 2347 O . HOH B 318 ? 5.29006 -11.72603 20.11109 0.694 16.83146 O ? R ? . O 1
   HETATM 2348 O . HOH B 319 ? 15.41838 -10.18639 15.49972 0.881 13.69750 O ? R ? . O 1
   HETATM 2349 O . HOH B 320 ? 20.70446 -6.07584 -12.11494 0.851 12.51433 O ? R ? . O 1
   HETATM 2350 O . HOH B 321 ? 40.36192 0.57926 3.08276 1.000 18.63988 O ? R ? . O 1
   HETATM 2352 O . HOH B 323 ? 13.83597 10.69546 4.08808 0.886 16.27472 O ? R ? . O 1
   HETATM 2353 O . HOH B 324 ? 13.59308 -3.42501 21.36255 0.748 11.07808 O ? R ? . O 1
   HETATM 2354 O A HOH B 325 ? 19.94228 9.95708 6.37140 0.608 12.85688 O ? R ? . O 1
   HETATM 2355 O B HOH B 325 ? 19.96383 8.91848 5.99290 0.392 15.62895 O ? R ? . O 1
   HETATM 2356 O . HOH B 326 ? 11.15642 -12.35807 14.14938 0.917 16.42638 O ? R ? . O 1
   HETATM 2357 O . HOH B 327 ? 20.99798 2.61461 2.77148 0.887 15.36342 O ? R ? . O 1
   HETATM 2358 O . HOH B 328 ? 7.60732 9.94443 7.97984 0.854 16.00163 O ? R ? . O 1
   HETATM 2359 O . HOH B 329 ? 17.15492 -10.93214 20.25405 0.812 14.26770 O ? R ? . O 1
   HETATM 2360 O . HOH B 330 ? 8.50633 4.65517 18.99457 0.874 16.96118 O ? R ? . O 1
   HETATM 2361 O . HOH B 331 ? 13.28446 -2.03841 -6.54332 1.000 19.28693 O ? R ? . O 1
   HETATM 2362 O . HOH B 332 ? 0.87147 -0.67022 4.53447 1.000 21.06994 O ? R ? . O 1
   HETATM 2363 O . HOH B 333 ? 19.71992 -8.87102 -2.00094 0.826 15.95309 O ? R ? . O 1
   HETATM 2364 O . HOH B 334 ? -0.59009 0.18303 23.92505 0.835 15.82858 O ? R ? . O 1
   HETATM 2365 O . HOH B 335 ? 21.03433 6.36405 6.71557 0.895 16.55497 O ? R ? . O 1
   HETATM 2366 O . HOH B 336 ? 3.17869 -5.96975 8.40938 0.958 17.86814 O ? R ? . O 1
   HETATM 2367 O . HOH B 337 ? -4.04367 -2.31023 19.60207 0.748 11.96444 O ? R ? . O 1
   HETATM 2368 O . HOH B 338 ? 13.24934 11.07427 6.75567 0.689 12.69785 O ? R ? . O 1
   HETATM 2370 O . HOH B 340 ? 9.29844 -3.51909 -2.15490 1.000 19.01668 O ? R ? . O 1
   HETATM 2371 O . HOH B 341 ? 30.38983 -4.72360 10.27652 0.921 16.12941 O ? R ? . O 1
   HETATM 2372 O . HOH B 342 ? 32.50899 7.98053 5.55331 0.959 20.47417 O ? R ? . O 1
   HETATM 2373 O . HOH B 343 ? 20.21866 -6.44731 -9.29338 0.748 13.26244 O ? R ? . O 1
   HETATM 2374 O . HOH B 344 ? 16.65187 -9.05675 -7.42700 0.857 22.35953 O ? R ? . O 1
   HETATM 2375 O . HOH B 345 ? 19.88801 -7.87492 -6.10961 0.845 17.41211 O ? R ? . O 1
   HETATM 2376 O . HOH B 346 ? 6.14753 -5.24082 2.89234 0.963 19.89837 O ? R ? . O 1
   HETATM 2377 O . HOH B 347 ? 2.95852 6.90605 11.45160 0.796 16.29095 O ? R ? . O 1
   HETATM 2378 O . HOH B 348 ? 36.24093 6.79620 0.23005 1.000 26.56456 O ? R ? . O 1
   HETATM 2379 O . HOH B 349 ? 23.19034 -4.85191 -14.85780 0.980 19.87010 O ? R ? . O 1
   HETATM 2380 O . HOH B 350 ? -2.19696 4.34900 16.23108 0.982 21.75389 O ? R ? . O 1
   HETATM 2381 O . HOH B 351 ? 12.74589 0.57266 -6.78504 0.836 19.61512 O ? R ? . O 1
   HETATM 2382 O . HOH B 352 ? 15.09185 -7.85536 1.41565 0.868 19.91886 O ? R ? . O 1
   HETATM 2383 O . HOH B 353 ? 2.98962 8.96831 17.39906 0.808 19.05119 O ? R ? . O 1
   HETATM 2384 O . HOH B 354 ? 14.95951 7.12612 17.00874 0.837 14.56100 O ? R ? . O 1
   HETATM 2385 O . HOH B 355 ? 21.12554 -8.77547 12.06030 0.976 15.74286 O ? R ? . O 1
   HETATM 2386 O . HOH B 356 ? 11.02132 3.93854 -6.43644 0.765 21.36152 O ? R ? . O 1
   HETATM 2387 O . HOH B 357 ? -6.20532 2.87086 22.23175 0.785 22.75555 O ? R ? . O 1
   HETATM 2388 O . HOH B 358 ? 20.01195 -2.73859 -10.50351 0.955 22.82540 O ? R ? . O 1
   HETATM 2389 O . HOH B 359 ? 1.21348 3.31843 3.05719 1.000 26.77383 O ? R ? . O 1
   HETATM 2390 O . HOH B 360 ? 9.88799 11.61123 8.09705 0.876 18.39434 O ? R ? . O 1
   HETATM 2391 O . HOH B 361 ? 0.55094 3.23908 10.42469 0.813 20.82803 O ? R ? . O 1
   HETATM 2392 O . HOH B 362 ? 13.20989 4.15045 -8.13657 0.947 29.52410 O ? R ? . O 1
   HETATM 2393 O . HOH B 363 ? 10.16371 12.39988 5.30771 0.959 24.95330 O ? R ? . O 1
   HETATM 2394 O . HOH B 364 ? 37.01764 1.06716 12.56138 1.000 29.25380 O ? R ? . O 1
   HETATM 2395 O . HOH B 365 ? 32.63093 0.10998 11.93460 0.879 26.14990 O ? R ? . O 1
   HETATM 2396 O . HOH B 366 ? 10.26120 10.52024 1.34715 0.960 23.79378 O ? R ? . O 1
   HETATM 2397 O . HOH B 367 ? 1.55350 2.71677 7.08892 0.830 22.55751 O ? R ? . O 1
   HETATM 2398 O . HOH B 368 ? 33.04410 3.69837 11.94260 0.846 19.65196 O ? R ? . O 1
   HETATM 2399 O . HOH B 369 ? 2.01545 -8.08306 25.83196 0.956 26.26830 O ? R ? . O 1
   HETATM 2400 O . HOH B 370 ? 38.48226 -2.05133 9.78991 0.925 27.35465 O ? R ? . O 1
   HETATM 2402 O . HOH B 373 ? 8.47841 6.05417 2.18525 0.940 20.65619 O ? R ? . O 1
   HETATM 2403 O . HOH B 374 ? 4.59049 -9.40236 25.73012 1.000 17.11494 O ? R ? . O 1
   HETATM 2404 O . HOH B 375 ? 8.20696 -1.01247 -2.75369 1.000 19.60804 O ? R ? . O 1
   HETATM 2405 O . HOH B 376 ? 9.25709 0.86818 -1.00891 0.871 14.67729 O ? R ? . O 1
   HETATM 2406 O . HOH B 377 ? 10.97208 1.75547 -4.81675 0.888 17.61216 O ? R ? . O 1
   HETATM 2408 O B HOH B 378 ? 18.67334 -10.06888 -6.58801 0.848 14.22971 O ? R ? . O 1
   HETATM 2409 O . HOH B 379 ? 16.77948 -8.82103 -2.94691 0.719 16.77646 O ? R ? . O 1
   HETATM 2410 O . HOH B 380 ? -4.07088 -3.27910 17.09016 0.860 16.46561 O ? R ? . O 1
   HETATM 2411 O . HOH B 381 ? 7.45686 -5.26881 -1.25457 1.000 24.68743 O ? R ? . O 1
   HETATM 2412 O . HOH B 382 ? 6.41965 10.02343 10.50259 0.798 17.15087 O ? R ? . O 1
   HETATM 2413 O . HOH B 383 ? 3.81083 9.49763 10.66975 0.803 20.54460 O ? R ? . O 1
   HETATM 2415 O . HOH B 385 ? 5.31369 -6.82975 7.00634 0.913 22.41363 O ? R ? . O 1
   HETATM 2416 O . HOH B 386 ? 19.72173 3.14946 5.15104 0.629 15.28142 O ? R ? . O 1
   HETATM 2417 O A HOH B 387 ? 12.96497 -11.61318 24.28587 0.563 11.90496 O ? R ? . O 1
   HETATM 2418 O B HOH B 387 ? 12.83711 -10.30545 24.22470 0.437 12.41237 O ? R ? . O 1
   HETATM 2419 O . HOH B 388 ? 27.75109 -9.08280 4.57737 0.749 19.35953 O ? R ? . O 1
   HETATM 2420 O . HOH B 389 ? 17.00954 11.58293 6.95890 0.990 32.23434 O ? R ? . O 1
   HETATM 2421 O . HOH B 390 ? 8.07563 -5.62917 6.81641 0.789 19.01098 O ? R ? . O 1
   HETATM 2423 O . HOH B 392 ? 5.31210 0.50200 0.05167 0.792 21.16178 O ? R ? . O 1
   HETATM 2424 O . HOH B 393 ? -4.02013 2.39703 15.28465 0.763 26.86154 O ? R ? . O 1
   HETATM 2426 O . HOH B 395 ? 40.93896 0.42823 0.32958 0.722 22.06807 O ? R ? . O 1
   HETATM 2427 O . HOH B 396 ? 21.24957 12.40003 8.68256 0.965 27.83246 O ? R ? . O 1
   HETATM 2428 O . HOH B 397 ? 4.21180 -3.92766 1.43514 0.887 25.68723 O ? R ? . O 1
   HETATM 2429 O . HOH B 398 ? 29.95042 0.26831 -10.37769 0.670 22.16953 O ? R ? . O 1
   HETATM 2430 O . HOH B 399 ? 35.43871 -0.56631 10.94506 0.825 22.89288 O ? R ? . O 1
   HETATM 2431 O . HOH B 400 ? 25.85219 -10.99203 4.79076 0.711 17.83864 O ? R ? . O 1
   HETATM 2432 O . HOH B 401 ? 1.98802 8.90668 20.05851 0.539 18.58073 O ? R ? . O 1
   HETATM 2434 O . HOH B 403 ? 14.58326 9.40911 13.33873 1.000 33.68657 O ? R ? . O 1
   HETATM 2435 O . HOH B 405 ? 5.28667 9.98662 6.52820 0.965 30.46802 O ? R ? . O 1
   HETATM 2436 O A HOH B 406 ? 22.16491 5.14383 2.02687 0.534 21.31848 O ? R ? . O 1
   HETATM 2437 O B HOH B 406 ? 22.60488 4.26217 1.09866 0.466 25.56558 O ? R ? . O 1
   HETATM 2438 O . HOH B 407 ? 23.21399 13.99410 9.55981 0.514 17.12444 O ? R ? . O 1
   HETATM 2439 O . HOH B 408 ? 5.03508 -7.12499 4.36710 0.615 21.72382 O ? R ? . O 1
   HETATM 2441 O . HOH B 410 ? 1.39344 7.13640 13.86659 0.715 23.56421 O ? R ? . O 1
   HETATM 2442 O . HOH B 411 ? 11.69559 9.70552 -0.53026 0.978 30.37688 O ? R ? . O 1
   HETATM 2443 O . HOH B 412 ? 8.01454 -6.31395 1.27315 1.000 26.34074 O ? R ? . O 1
   HETATM 2445 O A HOH B 414 ? 4.70814 4.61674 5.80006 0.444 13.88508 O ? R ? . O 1
   HETATM 2446 O B HOH B 414 ? 3.77315 3.99097 6.69441 0.556 19.82365 O ? R ? . O 1
   HETATM 2447 O . HOH B 415 ? -6.33022 3.96585 19.74157 0.780 26.90258 O ? R ? . O 1
   HETATM 2448 O . HOH B 416 ? 26.01917 6.94408 -9.97965 0.984 27.20912 O ? R ? . O 1
   HETATM 2449 O . HOH B 417 ? 3.71671 -1.23137 1.64564 0.976 27.73373 O ? R ? . O 1
   HETATM 2450 O . HOH B 418 ? -1.39841 -12.39360 26.92881 0.775 24.66134 O ? R ? . O 1
   HETATM 2454 O . HOH B 423 ? 6.43392 6.23426 4.14916 0.855 29.03383 O ? R ? . O 1
   HETATM 2455 O A HOH B 424 ? -5.74129 -7.29617 17.15083 0.441 18.11020 O ? R ? . O 1
   HETATM 2456 O B HOH B 424 ? -6.08410 -7.34295 16.08127 0.559 28.42054 O ? R ? . O 1
   HETATM 2457 O . HOH B 425 ? 15.05166 -11.33281 18.03419 0.775 23.99447 O ? R ? . O 1
   HETATM 2460 O A HOH B 429 ? -1.76117 -6.81399 14.59503 1.000 27.26665 O ? R ? . O 1
   HETATM 2463 O . HOH B 432 ? -5.46847 4.52702 24.29794 1.000 40.79682 O ? R ? . O 1
   HETATM 2468 O . HOH B 437 ? 38.73060 2.57033 -6.16424 0.728 38.60611 O ? R ? . O 1
   HETATM 2470 O . HOH B 439 ? 29.88435 -9.46831 2.95827 0.954 33.26554 O ? R ? . O 1
   HETATM 2471 O . HOH B 440 ? 34.80679 9.04092 1.42160 0.913 32.04211 O ? R ? . O 1
   HETATM 2473 O . HOH B 443 ? 13.39588 13.03254 2.74106 0.927 29.66860 O ? R ? . O 1
   HETATM 2474 O . HOH B 444 ? 14.74486 12.43296 10.54323 0.937 31.62736 O ? R ? . O 1
   HETATM 2476 O . HOH B 446 ? 1.16155 2.88658 0.36268 0.682 28.73851 O ? R ? . O 1
   HETATM 2480 O . HOH B 451 ? -4.87736 -9.76956 16.78658 0.824 23.56885 O ? R ? . O 1
   HETATM 2484 O . HOH B 455 ? 10.60452 -4.61904 -4.17300 0.996 27.98582 O ? R ? . O 1
   HETATM 2485 O . HOH B 456 ? 5.51712 -1.27533 -2.16484 0.872 20.58452 O ? R ? . O 1
   HETATM 2486 O . HOH B 457 ? 5.06826 -4.03278 -1.35411 0.995 27.93636 O ? R ? . O 1
   HETATM 2489 O . HOH B 461 ? 11.67025 -8.55951 9.81776 0.703 17.29618 O ? R ? . O 1
   HETATM 2490 O . HOH B 462 ? 14.67388 -8.04221 6.06121 0.841 14.72195 O ? R ? . O 1
   HETATM 2492 O . HOH B 464 ? 7.30985 2.91099 -3.32058 1.000 38.90198 O ? R ? . O 1
   HETATM 2493 O . HOH B 465 ? 7.40181 5.14632 -1.79153 1.000 38.91604 O ? R ? . O 1
   HETATM 2495 O . HOH B 467 ? 7.67257 11.43289 12.45158 0.875 27.68781 O ? R ? . O 1
   HETATM 2496 O . HOH B 468 ? 11.89707 9.45770 22.72972 0.875 30.60082 O ? R ? . O 1
   HETATM 2497 O . HOH B 469 ? 12.41522 9.39124 19.48163 1.000 30.39885 O ? R ? . O 1
   HETATM 2501 O . HOH B 474 ? 35.48530 4.12540 -6.45194 0.871 38.92664 O ? R ? . O 1
   HETATM 2502 O . HOH B 476 ? 2.64987 -8.10891 9.90203 0.676 26.95689 O ? R ? . O 1
   HETATM 2503 O . HOH B 477 ? 31.31503 -6.55746 8.66190 0.691 25.40435 O ? R ? . O 1
   HETATM 2508 O . HOH B 481 ? 28.51464 -11.05375 -2.83547 0.994 35.13060 O ? R ? . O 1
   HETATM 2510 O . HOH B 483 ? 6.07820 -9.35287 7.85982 1.000 38.76414 O ? R ? . O 1
   HETATM 2511 O . HOH B 486 ? 30.54675 -10.47565 -1.22120 0.591 25.42012 O ? R ? . O 1
   HETATM 2517 O A HOH B 494 ? 19.98312 11.16312 -4.01296 0.547 25.31807 O ? R ? . O 1
   HETATM 2518 O B HOH B 494 ? 18.76203 11.24715 -4.90657 0.453 26.46266 O ? R ? . O 1
   HETATM 2520 O . HOH B 501 ? 4.80327 -9.84376 10.22595 0.660 28.10031 O ? R ? . O 1
   HETATM 2524 O . HOH B 505 ? 0.91277 -9.61574 29.52758 0.763 32.95616 O ? R ? . O 1
   HETATM 2531 O . HOH B 515 ? 29.91525 -11.51627 1.18358 0.989 31.71088 O ? R ? . O 1
   HETATM 2532 O . HOH B 516 ? 5.34196 12.19323 14.37327 0.994 34.04861 O ? R ? . O 1
   HETATM 2544 O . HOH B 528 ? 12.13331 -6.69236 3.53503 0.606 23.85991 O ? R ? . O 1
   HETATM 2965 O . HOH S 543 ? 13.92747 -2.78558 24.41922 0.794 17.34989 O ? S ? . O 1
   HETATM 2967 O . HOH S 545 ? 12.95688 -9.94063 21.95898 0.699 15.72607 O ? S ? . O 1
   HETATM 2969 O . HOH S 547 ? 14.55683 23.71693 24.78204 0.850 20.77234 O ? S ? . O 1
   HETATM 2971 O . HOH S 549 ? 25.80440 18.78469 33.77622 0.849 24.28028 O ? S ? . O 1
   HETATM 2975 O . HOH S 553 ? 32.08332 9.44328 1.90606 1.000 31.20192 O ? S ? . O 1
   HETATM 2976 O . HOH S 554 ? 21.89787 26.12843 22.38157 0.574 17.14431 O ? S ? . O 1
   HETATM 2978 O . HOH S 556 ? 16.24468 10.93194 24.35814 0.541 16.13399 O ? S ? . O 1
   HETATM 2979 O . HOH S 557 ? 28.52399 24.30460 25.77461 0.457 14.75272 O ? S ? . O 1
   HETATM 2980 O . HOH S 558 ? 22.57828 -11.36404 36.60280 0.522 18.96826 O ? S ? . O 1
   HETATM 2981 O . HOH S 559 ? 8.83649 9.53661 13.95035 0.767 22.86121 O ? S ? . O 1
   HETATM 2982 O . HOH S 560 ? 22.23568 2.43648 35.79890 0.628 21.52134 O ? S ? . O 1
   HETATM 2984 O . HOH S 562 ? 23.03104 -12.40067 29.96671 0.284 6.49456 O ? S ? . O 1
   HETATM 2985 O . HOH S 563 ? 22.38699 10.02417 22.52843 0.240 8.18386 O ? S ? . O 1
   HETATM 2986 O . HOH S 564 ? 20.13310 -14.30960 24.57684 0.769 24.98411 O ? S ? . O 1
   HETATM 2987 O . HOH S 565 ? 24.37244 17.06828 35.02405 0.850 27.19751 O ? S ? . O 1
   HETATM 2994 O . HOH S 572 ? 33.15322 1.37187 39.42483 1.000 35.52956 O ? S ? . O 1
   HETATM 2995 O . HOH S 573 ? 15.39918 -9.83079 11.04194 0.630 23.47307 O ? S ? . O 1
   HETATM 2998 O . HOH S 576 ? 21.28135 4.98565 35.08157 1.000 33.56810 O ? S ? . O 1
   HETATM 3003 O . HOH S 581 ? 42.89725 -1.34448 -0.22663 0.978 33.82286 O ? S ? . O 1
   HETATM 3007 O . HOH S 585 ? 19.25794 9.49091 0.59455 0.470 19.53040 O ? S ? . O 1
   HETATM 3010 O . HOH S 588 ? 41.94910 -5.59402 6.44338 0.471 19.88438 O ? S ? . O 1
   HETATM 3011 O . HOH S 589 ? 34.02057 4.84710 14.13800 0.911 33.32070 O ? S ? . O 1
   HETATM 3012 O . HOH S 590 ? 34.42914 1.33446 15.44735 0.663 23.31976 O ? S ? . O 1
   HETATM 3013 O . HOH S 591 ? 6.90210 3.91576 2.06132 0.602 22.53467 O ? S ? . O 1
   HETATM 3015 O . HOH S 593 ? -0.62666 5.46340 13.52542 0.911 30.73314 O ? S ? . O 1
   HETATM 3019 O . HOH S 597 ? 24.51597 -10.65657 41.96173 0.839 32.00467 O ? S ? . O 1
   HETATM 3024 O . HOH S 602 ? 30.40152 -4.20863 -6.09708 1.000 37.00273 O ? S ? . O 1
   HETATM 3025 O . HOH S 603 ? 35.03279 8.87684 4.89395 0.498 24.49295 O ? S ? . O 1
   HETATM 3031 O . HOH S 609 ? 13.47609 8.95900 15.78025 1.000 34.16178 O ? S ? . O 1
   HETATM 3036 O . HOH S 614 ? 33.44889 -9.71711 5.17066 0.992 38.13610 O ? S ? . O 1
   HETATM 3045 O . HOH S 623 ? 19.35882 24.78258 17.57208 0.661 28.04853 O ? S ? . O 1
   HETATM 3046 O . HOH S 624 ? 31.86314 -7.47105 -4.21725 1.000 39.75434 O ? S ? . O 1
   HETATM 3050 O . HOH S 628 ? 27.45263 -12.97380 0.66815 0.606 25.51983 O ? S ? . O 1
   HETATM 3055 O . HOH S 633 ? 16.56481 -11.27490 13.38585 0.959 36.88814 O ? S ? . O 1
   HETATM 3059 O . HOH S 637 ? 31.18502 -7.88798 13.59899 0.430 20.94925 O ? S ? . O 1
   HETATM 3071 O . HOH S 649 ? 4.61929 8.12406 4.70381 0.448 28.04007 O ? S ? . O 1
   HETATM 3073 O . HOH S 651 ? 32.73651 12.37915 36.40518 0.784 30.91965 O ? S ? . O 1
   HETATM 3081 O . HOH S 659 ? 34.84576 -14.11864 26.82662 0.472 19.62675 O ? S ? . O 1
   HETATM 3085 O . HOH S 663 ? 25.98045 -11.90818 -1.55825 0.366 23.32605 O ? S ? . O 1
   HETATM 3087 O . HOH S 665 ? 18.46748 8.74766 3.24852 0.551 22.61383 O ? S ? . O 1
   HETATM 3090 O . HOH S 668 ? 20.93744 -20.22754 22.77355 0.931 34.12612 O ? S ? . O 1
   HETATM 3096 O . HOH S 674 ? 0.37163 5.86910 3.93961 0.709 30.89553 O ? S ? . O 1
   HETATM 3103 O . HOH S 681 ? 1.85391 5.32150 9.53369 0.736 34.11947 O ? S ? . O 1
   HETATM 3128 O . HOH S 706 ? 15.65343 -12.75978 -3.07759 0.818 43.48993 O ? S ? . O 1
   HETATM 3179 O . HOH S 713 ? 38.98350 -12.35892 20.37560 0.892 19.33124 O ? T ? . O 1
   HETATM 3182 O . HOH S 716 ? 15.06648 -7.66380 8.58229 0.507 12.68669 O ? T ? . O 1
   HETATM 3186 O . HOH S 720 ? 16.03059 6.43851 21.74374 0.855 22.68876 O ? T ? . O 1
   HETATM 3193 O . HOH S 727 ? 11.51491 -12.42598 22.75887 0.533 17.50263 O ? T ? . O 1
   HETATM 3196 O . HOH S 730 ? -3.46310 -10.03288 14.53192 1.000 35.62636 O ? T ? . O 1
   HETATM 3200 O . HOH S 734 ? 39.38281 0.46969 -1.77620 0.624 25.79632 O ? T ? . O 1
   HETATM 3202 O . HOH S 736 ? 26.68286 -12.87395 38.63859 1.000 35.74477 O ? T ? . O 1
   HETATM 3205 O . HOH S 739 ? 41.78116 4.07542 24.40101 0.595 23.17000 O ? T ? . O 1
   HETATM 3208 O . HOH S 742 ? 30.23342 -0.40212 -12.88881 0.501 23.99838 O ? T ? . O 1
   HETATM 3210 O . HOH S 744 ? 36.72573 10.92437 16.21659 0.876 30.04005 O ? T ? . O 1
   HETATM 3218 O . HOH S 752 ? 12.67662 -6.14801 6.16557 0.993 33.09775 O ? T ? . O 1
   HETATM 3220 O . HOH S 754 ? 15.15305 15.06133 14.59341 0.754 26.61669 O ? T ? . O 1
   HETATM 3222 O . HOH S 756 ? 12.98251 7.20523 23.39252 0.403 22.18076 O ? T ? . O 1
   HETATM 3230 O . HOH S 764 ? 20.52762 -19.34146 13.10981 0.660 31.22945 O ? T ? . O 1
   HETATM 3235 O . HOH S 769 ? 11.51570 14.38040 4.16935 0.722 28.72279 O ? T ? . O 1
   HETATM 3244 O . HOH S 778 ? 21.68906 8.67470 0.99657 0.398 20.09333 O ? T ? . O 1
   HETATM 3247 O . HOH S 781 ? 13.54592 -10.32708 5.69008 0.677 26.01588 O ? T ? . O 1
   HETATM 3260 O . HOH S 794 ? 40.67476 -7.97964 6.70517 0.748 34.31589 O ? T ? . O 1
   HETATM 3262 O . HOH S 796 ? 32.68672 7.28233 22.42324 0.486 20.63533 O ? T ? . O 1
   HETATM 3263 O . HOH S 797 ? 29.25461 -7.30408 -4.47697 0.906 35.64049 O ? T ? . O 1
   HETATM 3266 O . HOH S 800 ? 10.53590 8.19618 18.24404 1.000 50.30958 O ? T ? . O 1
   HETATM 3267 O . HOH S 801 ? 26.26680 22.98828 9.36090 0.350 22.49317 O ? T ? . O 1
   HETATM 3274 O . HOH S 808 ? 8.51063 8.44163 0.81501 0.818 34.24688 O ? T ? . O 1
   HETATM 3302 O . HOH S 836 ? 25.68123 -14.24615 10.77931 1.000 49.94238 O ? T ? . O 1
   HETATM 3313 O . HOH S 847 ? 31.92530 -5.94484 -7.78136 0.864 37.88535 O ? T ? . O 1
   HETATM 3338 O . HOH S 848 ? 13.86125 -9.76554 8.96286 0.604 14.02291 O ? U ? . O 1
   HETATM 3339 O . HOH S 849 ? -3.54885 -5.91199 16.82901 0.506 14.48730 O ? U ? . O 1
   HETATM 3340 O . HOH S 850 ? 33.65475 10.19210 19.81616 0.928 24.71553 O ? U ? . O 1
   HETATM 3341 O . HOH S 851 ? 17.22225 9.47511 33.23439 0.571 15.84672 O ? U ? . O 1
   HETATM 3344 O . HOH S 854 ? 13.53430 4.92113 24.19429 0.355 8.45195 O ? U ? . O 1
   HETATM 3345 O . HOH S 855 ? 27.35876 -8.14527 9.75379 0.602 22.52791 O ? U ? . O 1
   HETATM 3348 O . HOH S 858 ? 13.88593 0.92781 25.69928 0.856 27.72184 O ? U ? . O 1
   HETATM 3351 O . HOH S 861 ? 3.39271 -0.60147 28.49509 0.529 24.06656 O ? U ? . O 1
   HETATM 3352 O . HOH S 862 ? 40.36939 -12.30736 17.95704 0.622 24.05336 O ? U ? . O 1
   HETATM 3353 O . HOH S 863 ? 22.56577 9.65870 3.44536 0.557 22.68456 O ? U ? . O 1
   HETATM 3356 O . HOH S 866 ? 15.48090 -6.70909 4.26492 0.419 18.95644 O ? U ? . O 1
   HETATM 3360 O . HOH S 870 ? 27.16635 -20.66210 14.44761 0.578 21.47344 O ? U ? . O 1
   HETATM 3365 O . HOH S 875 ? 42.05286 -3.45832 4.06293 0.545 28.55683 O ? U ? . O 1
   HETATM 3367 O . HOH S 877 ? 16.98144 -8.49238 7.14924 0.465 18.34679 O ? U ? . O 1
   HETATM 3369 O . HOH S 879 ? 27.22881 -21.78498 18.70417 0.684 22.57765 O ? U ? . O 1
   HETATM 3373 O . HOH S 883 ? 39.95500 -14.56346 31.54083 0.678 25.27139 O ? U ? . O 1
   HETATM 3376 O . HOH S 886 ? -5.02040 -4.68557 15.24365 0.271 21.04433 O ? U ? . O 1
   HETATM 3379 O . HOH S 889 ? 12.49781 -10.70231 10.64715 0.575 25.22038 O ? U ? . O 1
   HETATM 3395 O . HOH S 905 ? 11.04035 2.58786 12.47456 0.252 12.83608 O ? U ? . O 1
   HETATM 3398 O . HOH S 908 ? 26.81286 21.29820 21.87556 0.220 9.74892 O ? U ? . O 1
   HETATM 3407 O . HOH S 917 ? 32.82206 -2.98139 -10.59390 0.678 33.67491 O ? U ? . O 1
   HETATM 3412 O . HOH S 922 ? 31.47400 -3.37819 -8.18557 0.577 31.60076 O ? U ? . O 1
   HETATM 3433 O . HOH S 943 ? 37.69332 13.19644 7.19945 0.492 32.16009 O ? U ? . O 1
   HETATM 3434 O . HOH S 944 ? 32.97876 4.26896 -6.11851 0.790 37.92720 O ? U ? . O 1
   HETATM 3440 O . HOH S 950 ? 35.70522 12.44398 12.50271 0.513 25.27124 O ? U ? . O 1
   HETATM 3444 O . HOH S 954 ? 21.63639 -8.90295 9.66149 0.360 20.56077 O ? U ? . O 1
   HETATM 3461 O . HOH S 971 ? 12.80320 9.01017 -2.50065 0.419 24.67289 O ? U ? . O 1
   HETATM 3468 O . HOH S 978 ? 38.15152 -10.58510 37.77699 0.586 30.42495 O ? U ? . O 1
   HETATM 3469 O . HOH S 979 ? 3.71756 2.52283 -0.76036 0.482 24.69612 O ? U ? . O 1
   HETATM 3472 O . HOH S 982 ? 1.51552 9.62685 15.24642 0.513 26.44683 O ? U ? . O 1
   HETATM 3506 O . HOH S 990 ? 17.66889 7.92015 35.62609 0.758 16.12473 O ? V ? . O 1
   HETATM 3507 O . HOH S 991 ? 20.53305 6.98423 -10.53430 1.000 27.43223 O ? V ? . O 1
   HETATM 3511 O . HOH S 995 ? 12.07203 -16.70341 22.28607 0.605 21.38248 O ? V ? . O 1
   HETATM 3512 O . HOH S 996 ? 24.78016 13.64826 35.80239 0.978 31.36550 O ? V ? . O 1
   HETATM 3513 O . HOH S 997 ? 31.76436 -1.06497 -9.08130 0.898 34.68446 O ? V ? . O 1
   HETATM 3518 O . HOH S 1002 ? 8.62044 -13.82534 13.98892 0.722 26.56374 O ? V ? . O 1
   HETATM 3524 O . HOH S 1008 ? 23.26573 8.69576 -10.35586 0.663 24.30627 O ? V ? . O 1
   HETATM 3527 O . HOH S 1011 ? 28.51526 21.48535 8.97533 0.802 34.15825 O ? V ? . O 1
   HETATM 3531 O . HOH S 1015 ? 18.36136 12.75476 9.34543 0.491 19.48590 O ? V ? . O 1
   HETATM 3538 O . HOH S 1022 ? 20.79220 -10.28234 14.25103 0.358 15.82881 O ? V ? . O 1
   HETATM 3541 O . HOH S 1025 ? -3.44721 6.66916 17.59028 0.759 28.91577 O ? V ? . O 1
   HETATM 3543 O . HOH S 1027 ? 40.56438 -11.24520 15.27761 0.402 24.55009 O ? V ? . O 1
   HETATM 3544 O . HOH S 1028 ? 40.55850 6.62301 9.04347 0.418 25.39724 O ? V ? . O 1
   HETATM 3547 O . HOH S 1031 ? 32.91436 -16.33424 31.75307 0.567 21.15820 O ? V ? . O 1
   HETATM 3556 O . HOH S 1040 ? 12.54860 -13.53183 16.21037 0.730 30.42236 O ? V ? . O 1
   HETATM 3567 O . HOH S 1051 ? 25.61366 -14.09228 8.11519 0.677 26.53979 O ? V ? . O 1
   HETATM 3590 O . HOH S 1074 ? 2.75267 10.92786 13.07230 0.572 23.82848 O ? V ? . O 1
   HETATM 3609 O . HOH S 1093 ? 28.48424 -8.81396 7.13337 0.752 37.45423 O ? V ? . O 1
   HETATM 3615 O . HOH S 1099 ? 33.24220 5.44540 39.38426 0.825 40.21783 O ? V ? . O 1
   HETATM 3618 O . HOH S 1102 ? 38.27059 -2.24513 35.69404 0.533 28.44699 O ? V ? . O 1
   HETATM 3622 O . HOH S 1106 ? 18.77557 -10.13953 12.66192 0.594 28.41997 O ? V ? . O 1
   HETATM 3624 O . HOH S 1108 ? 30.89108 -8.97789 5.32895 0.520 31.68580 O ? V ? . O 1
   HETATM 3627 O . HOH S 1111 ? 0.08207 -8.16267 13.66794 0.443 25.77199 O ? V ? . O 1
   HETATM 3631 O . HOH S 1115 ? 18.41749 10.81332 4.98409 0.352 23.55167 O ? V ? . O 1
   HETATM 3635 O . HOH S 1119 ? 17.85603 -17.09999 20.87261 0.272 16.06601 O ? V ? . O 1
   HETATM 3653 O . HOH S 1121 ? 0.82035 -7.35116 28.09149 0.661 21.53975 O ? W ? . O 1
   HETATM 3656 O . HOH S 1124 ? 20.78838 -12.61699 13.01119 0.560 19.49510 O ? W ? . O 1
   HETATM 3658 O . HOH S 1126 ? 17.89291 -8.90481 4.40245 0.824 28.93738 O ? W ? . O 1
   HETATM 3668 O . HOH S 1136 ? 21.63091 14.56540 32.25393 0.686 33.40105 O ? W ? . O 1
   HETATM 3672 O . HOH S 1140 ? 27.76716 24.98272 8.80083 0.392 22.49287 O ? W ? . O 1
   HETATM 3673 O . HOH S 1141 ? 27.81554 -16.60691 32.64440 0.650 26.80782 O ? W ? . O 1
   HETATM 3679 O . HOH S 1147 ? 12.64001 -12.77251 12.08139 0.573 29.53294 O ? W ? . O 1
   HETATM 3689 O . HOH S 1157 ? 35.31031 3.40499 16.80088 0.512 21.72704 O ? W ? . O 1
   HETATM 3698 O . HOH S 1166 ? 7.01190 -7.78017 -2.81357 0.639 30.73726 O ? W ? . O 1
   HETATM 3699 O . HOH S 1167 ? 0.54391 -9.49101 11.53255 0.822 39.53417 O ? W ? . O 1
   HETATM 3700 O . HOH S 1168 ? 14.88126 -14.16897 17.30224 0.664 28.62357 O ? W ? . O 1
   HETATM 3702 O . HOH S 1170 ? -8.64056 -4.78446 11.81173 0.763 40.86899 O ? W ? . O 1
   HETATM 3720 O . HOH S 1188 ? 31.42569 5.69706 -4.53323 0.539 28.63900 O ? W ? . O 1
   HETATM 3721 O . HOH S 1189 ? 10.00617 -7.79774 7.24496 0.878 33.99971 O ? W ? . O 1
   HETATM 3741 O . HOH S 1209 ? 11.35064 11.60754 20.53351 0.613 31.88173 O ? W ? . O 1
   HETATM 3751 O . HOH S 1219 ? 35.09293 2.08817 11.18112 0.322 19.90497 O ? W ? . O 1
   HETATM 3754 O . HOH S 1222 ? 8.58606 9.08948 16.78856 0.508 23.05902 O ? W ? . O 1
   HETATM 3759 O . HOH S 1227 ? 26.18700 -13.05501 2.97374 0.526 25.76237 O ? W ? . O 1
   HETATM 3770 O . HOH S 1238 ? 18.30988 -14.34935 12.94648 0.469 32.45602 O ? W ? . O 1

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_CD
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
   Cd P P P 0.714
   Cd O1P O OP -0.340
   Cd O2P O OP -0.340
   Cd O5* O OC2 -0.267
   Cd C5* C CH2 0.066
   Cd H5*1 H HCH2 0.005
   Cd H5*2 H HCH2 0.005
   Cd C4* C CH1 0.084
   Cd H4* H HCH1 0.010
   Cd O4* O O2 -0.193
   Cd C1* C CH1 0.245
   Cd H1* H HCH1 0.005
   Cd N1 N NR6 -0.286
   Cd C2 C CR6 0.469
   Cd O2 O O -0.259
   Cd N3 N NRD6 -0.395
   Cd C4 C CR6 0.315
   Cd N4 N NH2 -0.371
   Cd H41 H HNH2 0.168
   Cd H42 H HNH2 0.168
   Cd C5 C CR16 -0.135
   Cd H5 H HCR6 0.020
   Cd C6 C CR16 0.168
   Cd H6 H HCR6 0.020
   Cd C2* C CH2 -0.043
   Cd H2*1 H HCH2 0.010
   Cd H2*2 H HCH2 0.010
   Cd C3* C CH1 0.081
   Cd H3* H HCH1 0.005
   Cd O3* O OC2 -0.267

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
   Cd P n/a O5* START
   Cd O1P P . .
   Cd O2P P . .
   Cd O5* P C5* .
   Cd C5* O5* C4* .
   Cd H5*1 C5* . .
   Cd H5*2 C5* . .
   Cd C4* C5* C3* .
   Cd H4* C4* . .
   Cd O4* C4* C1* .
   Cd C1* O4* C2* .
   Cd H1* C1* . .
   Cd N1 C1* C2 .
   Cd C2 N1 N3 .
   Cd O2 C2 . .
   Cd N3 C2 C4 .
   Cd C4 N3 C5 .
   Cd N4 C4 H42 .
   Cd H41 N4 . .
   Cd H42 N4 . .
   Cd C5 C4 C6 .
   Cd H5 C5 . .
   Cd C6 C5 H6 .
   Cd H6 C6 . .
   Cd C2* C1* H2*2 .
   Cd H2*1 C2* . .
   Cd H2*2 C2* . .
   Cd C3* C4* O3* .
   Cd H3* C3* . .
   Cd O3* C3* . END
   Cd C2* C3* . ADD
   Cd C6 N1 . 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
  _chem_comp_bond.value_dist_neutron
   Cd P O5* coval 1.600 0.020 1.600
   Cd P O1P coval 1.480 0.020 1.480
   Cd P O2P coval 1.480 0.020 1.480
   Cd C1* C2* coval 1.525 0.020 1.525
   Cd C2* C3* coval 1.525 0.020 1.525
   Cd C3* C4* coval 1.523 0.020 1.523
   Cd C3* O3* coval 1.422 0.030 1.422
   Cd C4* C5* coval 1.518 0.020 1.518
   Cd C4* O4* coval 1.450 0.020 1.450
   Cd O4* C1* coval 1.414 0.020 1.414
   Cd C5* O5* coval 1.423 0.030 1.423
   Cd C5* H5*1 coval 0.970 0.020 1.090
   Cd C5* H5*2 coval 0.970 0.020 1.090
   Cd C4* H4* coval 0.970 0.020 1.090
   Cd C1* H1* coval 0.970 0.020 1.090
   Cd C2* H2*1 coval 0.970 0.020 1.090
   Cd C2* H2*2 coval 0.970 0.020 1.090
   Cd C3* H3* coval 0.970 0.020 1.090
   Cd N1 C2 coval 1.399 0.020 1.399
   Cd C2 N3 coval 1.356 0.020 1.356
   Cd N3 C4 coval 1.334 0.020 1.334
   Cd C4 C5 coval 1.426 0.020 1.426
   Cd C5 C6 coval 1.337 0.020 1.337
   Cd C6 N1 coval 1.364 0.020 1.364
   Cd C2 O2 coval 1.237 0.020 1.237
   Cd C4 N4 coval 1.337 0.020 1.337
   Cd N1 C1* coval 1.490 0.030 1.490
   Cd N4 H41 coval 0.860 0.020 1.020
   Cd N4 H42 coval 0.860 0.020 1.020
   Cd C5 H5 coval 0.930 0.020 1.080
   Cd C6 H6 coval 0.930 0.020 1.080

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
   Cd C6 N1 C2 120.600 1.500
   Cd C1* N1 C2 119.700 1.500
   Cd C1* N1 C6 119.700 1.500
   Cd N1 C2 N3 118.900 1.500
   Cd C2 N3 C4 120.000 1.500
   Cd N3 C4 C5 121.800 1.500
   Cd C4 C5 C6 117.600 1.500
   Cd C5 C6 N1 121.000 1.500
   Cd N1 C2 O2 119.200 1.500
   Cd N3 C2 O2 121.900 1.500
   Cd N3 C4 N4 117.900 1.500
   Cd C5 C4 N4 120.300 1.500
   Cd N1 C1* O4* 108.400 1.500
   Cd N1 C1* C2* 113.500 1.500
   Cd C4 N4 H41 120.000 1.500
   Cd C4 N4 H42 120.000 1.500
   Cd H41 N4 H42 120.000 1.500
   Cd C4 C5 H5 121.200 1.500
   Cd C6 C5 H5 121.200 1.500
   Cd C5 C6 H6 119.500 1.500
   Cd N1 C6 H6 119.500 1.500
   Cd O4* C1* C2* 106.400 1.500
   Cd C1* C2* C3* 101.600 1.500
   Cd C2* C3* C4* 102.400 1.500
   Cd C2* C3* O3* 111.500 1.500
   Cd O3* C3* C4* 110.000 1.500
   Cd C3* C4* C5* 114.900 1.500
   Cd C3* C4* O4* 105.400 1.500
   Cd O4* C4* C5* 109.400 1.500
   Cd C4* O4* C1* 109.700 1.500
   Cd C4* C5* O5* 110.800 1.500
   Cd C5* O5* P 120.000 1.500
   Cd O5* P O1P 109.000 3.000
   Cd O5* P O2P 108.000 3.000
   Cd O1P P O2P 120.000 3.000
   Cd O5* C5* H5*1 109.000 1.500
   Cd O5* C5* H5*2 109.000 1.500
   Cd C4* C5* H5*1 109.000 1.500
   Cd C4* C5* H5*2 109.000 1.500
   Cd H5*1 C5* H5*2 109.000 1.500
   Cd C5* C4* H4* 109.000 1.500
   Cd O4* C4* H4* 109.000 1.500
   Cd C3* C4* H4* 109.000 1.500
   Cd O4* C1* H1* 109.000 1.500
   Cd C2* C1* H1* 109.000 1.500
   Cd N1 C1* H1* 109.000 1.500
   Cd C1* C2* H2*1 109.000 1.500
   Cd C1* C2* H2*2 109.000 1.500
   Cd H2*1 C2* H2*2 109.000 1.500
   Cd C4* C3* H3* 109.000 1.500
   Cd C3* C2* H2*1 109.000 1.500
   Cd C3* C2* H2*2 109.000 1.500
   Cd C2* C3* H3* 109.000 1.500
   Cd O3* C3* H3* 109.000 1.500

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
   Cd beta P O5* C5* C4* 170.000 25.000 3
   Cd gamma O5* C5* C4* C3* 55.000 20.000 3
   Cd delta C5* C4* C3* O3* 88.000 30.000 3
   Cd nu0 C4* O4* C1* C2* 13.000 40.000 3
   Cd nu1 O4* C1* C2* C3* -33.000 40.000 3
   Cd nu4 C5* C4* O4* C1* 137.000 40.000 3
   Cd chi O4* C1* N1 C2 30.000 40.000 2
   Cd CONST_01 C1* N1 C2 N3 180.000 0.000 0
   Cd CONST_02 N1 C2 N3 C4 0.000 0.000 0
   Cd CONST_03 C2 N3 C4 C5 0.000 0.000 0
   Cd hh1 N3 C4 N4 H42 0.000 40.000 2
   Cd CONST_04 N3 C4 C5 C6 0.000 0.000 0
   Cd CONST_05 C4 C5 C6 N1 0.000 0.000 0

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
   Cd chir_01 C3* C2* O3* C4* positiv
   Cd chir_02 C4* C3* O4* C5* positiv
   Cd chir_03 C1* N1 O4* C2* positiv
   Cd chir_04 P O5* O1P O2P both

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
   Cd plan N1 0.020
   Cd plan C2 0.020
   Cd plan O2 0.020
   Cd plan N3 0.020
   Cd plan C4 0.020
   Cd plan N4 0.020
   Cd plan C5 0.020
   Cd plan C6 0.020
   Cd plan C1* 0.020
   Cd plan H6 0.020
   Cd plan H5 0.020
   Cd plan2 C4 0.020
   Cd plan2 N4 0.020
   Cd plan2 H41 0.020
   Cd plan2 H42 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   Cd plan
   Cd plan2

data_comp_CL
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
   CL CL CL CL 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
   CL CL n/a . END

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
   CL . 'chlorine                            ' non-polymer 1 1 .

data_comp_PEG
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
   PEG C1 C CH2 0 -0.185 -2.3244 -0.0640 -0.5563
   PEG O1 O OH1 0 -0.673 -2.6555 -0.7826 0.6104
   PEG C2 C CH2 0 -0.158 -1.1440 0.8311 -0.2814
   PEG O2 O O2 0 -0.487 -0.0047 0.0587 0.0010
   PEG C3 C CH2 0 -0.159 1.1259 0.8492 0.2687
   PEG C4 C CH2 0 -0.185 2.3162 -0.0264 0.5624
   PEG O4 O OH1 0 -0.672 2.6615 -0.7571 -0.5923
   PEG H11 H HCH2 0 0.198 -2.0874 -0.7344 -1.3932
   PEG H12 H HCH2 0 0.204 -3.1487 0.5789 -0.8893
   PEG HO1 H HOH1 0 0.455 -3.4653 -1.2710 0.4388
   PEG H21 H HCH2 0 0.203 -0.9812 1.4636 -1.1658
   PEG H22 H HCH2 0 0.200 -1.3741 1.5093 0.5538
   PEG H31 H HCH2 0 0.200 1.3498 1.5129 -0.5799
   PEG H32 H HCH2 0 0.203 0.9545 1.4986 1.1390
   PEG H41 H HCH2 0 0.203 3.1308 0.6323 0.8891
   PEG H42 H HCH2 0 0.199 2.0844 -0.6872 1.4083
   PEG HO4 H HOH1 0 0.455 3.4600 -1.2566 -0.4012

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
   PEG C1 O1 single 1.410 0.020 1.410
   PEG C1 C2 single 1.507 0.020 1.507
   PEG C1 H11 single 0.970 0.020 1.090
   PEG C1 H12 single 0.970 0.020 1.090
   PEG O1 HO1 single 0.850 0.020 0.980
   PEG C2 O2 single 1.405 0.020 1.405
   PEG C2 H21 single 0.970 0.020 1.090
   PEG C2 H22 single 0.970 0.020 1.090
   PEG O2 C3 single 1.405 0.020 1.405
   PEG C3 C4 single 1.507 0.020 1.507
   PEG C3 H31 single 0.970 0.020 1.090
   PEG C3 H32 single 0.970 0.020 1.090
   PEG C4 O4 single 1.409 0.020 1.409
   PEG C4 H41 single 0.970 0.020 1.090
   PEG C4 H42 single 0.970 0.020 1.090
   PEG O4 HO4 single 0.850 0.020 0.980

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
   PEG H12 C1 H11 106.77 3.000
   PEG H12 C1 C2 107.21 3.000
   PEG H11 C1 C2 109.43 3.000
   PEG H12 C1 O1 111.93 3.000
   PEG H11 C1 O1 111.72 3.000
   PEG C2 C1 O1 109.63 3.000
   PEG HO1 O1 C1 108.02 3.000
   PEG H22 C2 H21 106.67 3.000
   PEG H22 C2 O2 110.84 3.000
   PEG H21 C2 O2 110.97 3.000
   PEG H22 C2 C1 109.93 3.000
   PEG H21 C2 C1 108.12 3.000
   PEG O2 C2 C1 110.21 3.000
   PEG C3 O2 C2 112.42 3.000
   PEG H32 C3 H31 106.62 3.000
   PEG H32 C3 C4 108.19 3.000
   PEG H31 C3 C4 109.88 3.000
   PEG H32 C3 O2 110.96 3.000
   PEG H31 C3 O2 110.86 3.000
   PEG C4 C3 O2 110.23 3.000
   PEG H42 C4 H41 106.77 3.000
   PEG H42 C4 O4 111.77 3.000
   PEG H41 C4 O4 111.92 3.000
   PEG H42 C4 C3 109.45 3.000
   PEG H41 C4 C3 107.19 3.000
   PEG O4 C4 C3 109.58 3.000
   PEG HO4 O4 C4 108.07 3.000

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
   PEG Var_01 O2 C2 C1 O1 65.10 30.0 3
   PEG Var_02 C4 C3 O2 C2 -179.92 30.0 3
   PEG Var_03 O4 C4 C3 O2 65.50 30.0 3
   PEG Var_04 C3 O2 C2 C1 -179.84 30.0 3
   PEG Var_05 HO1 O1 C1 C2 173.91 30.0 3
   PEG Var_06 HO4 O4 C4 C3 175.83 30.0 3

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
   PEG PEG '2,2'-oxydiethanol        ' ligand 17 7 .

data_comp_PG4
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
   PG4 O1 O OH1 0 -0.672 0.6549 1.0518 5.0969
   PG4 C1 C CH2 0 -0.185 1.5539 0.2754 4.3387
   PG4 C2 C CH2 0 -0.161 0.8043 -0.8289 3.6394
   PG4 O2 O O2 0 -0.485 -0.0819 -0.2864 2.6932
   PG4 C3 C CH2 0 -0.169 -0.7999 -1.2719 1.9964
   PG4 C4 C CH2 0 -0.169 -1.7124 -0.6197 0.9899
   PG4 O3 O O2 0 -0.485 -0.9438 0.0191 0.0030
   PG4 C5 C CH2 0 -0.169 -1.7236 0.6646 -0.9705
   PG4 C6 C CH2 0 -0.168 -0.8223 1.3120 -1.9902
   PG4 O4 O O2 0 -0.485 -0.1198 0.3214 -2.6956
   PG4 C7 C CH2 0 -0.161 0.7580 0.8564 -3.6537
   PG4 C8 C CH2 0 -0.185 1.5014 -0.2538 -4.3506
   PG4 O5 O OH1 0 -0.672 0.5955 -1.0386 -5.0916
   PG4 HO1 H HOH1 0 0.455 1.1557 1.7467 5.5328
   PG4 H11 H HCH2 0 0.200 2.0875 0.8796 3.5935
   PG4 H12 H HCH2 0 0.202 2.3178 -0.1980 4.9684
   PG4 H21 H HCH2 0 0.204 1.5394 -1.4883 3.1566
   PG4 H22 H HCH2 0 0.202 0.2649 -1.4425 4.3761
   PG4 H31 H HCH2 0 0.203 -0.1188 -1.9691 1.4869
   PG4 H32 H HCH2 0 0.207 -1.4147 -1.8726 2.6812
   PG4 H41 H HCH2 0 0.207 -2.3528 -1.3977 0.5513
   PG4 H42 H HCH2 0 0.204 -2.3799 0.0929 1.4962
   PG4 H51 H HCH2 0 0.204 -2.4025 -0.0436 -1.4682
   PG4 H52 H HCH2 0 0.207 -2.3530 1.4454 -0.5211
   PG4 H61 H HCH2 0 0.207 -1.4437 1.9155 -2.6664
   PG4 H62 H HCH2 0 0.204 -0.1302 2.0060 -1.4912
   PG4 H71 H HCH2 0 0.202 0.2122 1.4645 -4.3904
   PG4 H72 H HCH2 0 0.204 1.4977 1.5191 -3.1823
   PG4 H81 H HCH2 0 0.202 2.2581 0.2147 -4.9927
   PG4 H82 H HCH2 0 0.200 2.0436 -0.8505 -3.6056
   PG4 HO5 H HOH1 0 0.455 1.0932 -1.7335 -5.5309

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
   PG4 O1 C1 single 1.409 0.020 1.409
   PG4 O1 HO1 single 0.850 0.020 0.980
   PG4 C1 C2 single 1.507 0.020 1.507
   PG4 C1 H11 single 0.970 0.020 1.090
   PG4 C1 H12 single 0.970 0.020 1.090
   PG4 C2 O2 single 1.405 0.020 1.405
   PG4 C2 H21 single 0.970 0.020 1.090
   PG4 C2 H22 single 0.970 0.020 1.090
   PG4 O2 C3 single 1.404 0.020 1.404
   PG4 C3 C4 single 1.507 0.020 1.507
   PG4 C3 H31 single 0.970 0.020 1.090
   PG4 C3 H32 single 0.970 0.020 1.090
   PG4 C4 O3 single 1.405 0.020 1.405
   PG4 C4 H41 single 0.970 0.020 1.090
   PG4 C4 H42 single 0.970 0.020 1.090
   PG4 O3 C5 single 1.405 0.020 1.405
   PG4 C5 C6 single 1.507 0.020 1.507
   PG4 C5 H51 single 0.970 0.020 1.090
   PG4 C5 H52 single 0.970 0.020 1.090
   PG4 C6 O4 single 1.404 0.020 1.404
   PG4 C6 H61 single 0.970 0.020 1.090
   PG4 C6 H62 single 0.970 0.020 1.090
   PG4 O4 C7 single 1.405 0.020 1.405
   PG4 C7 C8 single 1.507 0.020 1.507
   PG4 C7 H71 single 0.970 0.020 1.090
   PG4 C7 H72 single 0.970 0.020 1.090
   PG4 C8 O5 single 1.409 0.020 1.409
   PG4 C8 H81 single 0.970 0.020 1.090
   PG4 C8 H82 single 0.970 0.020 1.090
   PG4 O5 HO5 single 0.850 0.020 0.980

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
   PG4 HO1 O1 C1 108.06 3.000
   PG4 H12 C1 H11 106.77 3.000
   PG4 H12 C1 C2 107.25 3.000
   PG4 H11 C1 C2 109.28 3.000
   PG4 H12 C1 O1 111.90 3.000
   PG4 H11 C1 O1 111.84 3.000
   PG4 C2 C1 O1 109.64 3.000
   PG4 H22 C2 H21 106.71 3.000
   PG4 H22 C2 O2 110.92 3.000
   PG4 H21 C2 O2 110.95 3.000
   PG4 H22 C2 C1 109.99 3.000
   PG4 H21 C2 C1 108.10 3.000
   PG4 O2 C2 C1 110.07 3.000
   PG4 C3 O2 C2 112.68 3.000
   PG4 H32 C3 H31 106.78 3.000
   PG4 H32 C3 C4 108.30 3.000
   PG4 H31 C3 C4 109.87 3.000
   PG4 H32 C3 O2 111.13 3.000
   PG4 H31 C3 O2 110.98 3.000
   PG4 C4 C3 O2 109.71 3.000
   PG4 H42 C4 H41 106.78 3.000
   PG4 H42 C4 O3 111.15 3.000
   PG4 H41 C4 O3 111.13 3.000
   PG4 H42 C4 C3 109.90 3.000
   PG4 H41 C4 C3 108.24 3.000
   PG4 O3 C4 C3 109.56 3.000
   PG4 C5 O3 C4 113.09 3.000
   PG4 H52 C5 H51 106.79 3.000
   PG4 H52 C5 C6 108.30 3.000
   PG4 H51 C5 C6 109.85 3.000
   PG4 H52 C5 O3 111.17 3.000
   PG4 H51 C5 O3 111.13 3.000
   PG4 C6 C5 O3 109.53 3.000
   PG4 H62 C6 H61 106.77 3.000
   PG4 H62 C6 O4 110.99 3.000
   PG4 H61 C6 O4 111.17 3.000
   PG4 H62 C6 C5 109.91 3.000
   PG4 H61 C6 C5 108.30 3.000
   PG4 O4 C6 C5 109.63 3.000
   PG4 C7 O4 C6 112.72 3.000
   PG4 H72 C7 H71 106.72 3.000
   PG4 H72 C7 C8 108.08 3.000
   PG4 H71 C7 C8 110.01 3.000
   PG4 H72 C7 O4 110.95 3.000
   PG4 H71 C7 O4 110.93 3.000
   PG4 C8 C7 O4 110.06 3.000
   PG4 H82 C8 H81 106.77 3.000
   PG4 H82 C8 O5 111.82 3.000
   PG4 H81 C8 O5 111.92 3.000
   PG4 H82 C8 C7 109.29 3.000
   PG4 H81 C8 C7 107.23 3.000
   PG4 O5 C8 C7 109.65 3.000
   PG4 HO5 O5 C8 108.07 3.000

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
   PG4 Var_01 O2 C2 C1 O1 65.41 30.0 3
   PG4 Var_02 C4 C3 O2 C2 -179.23 30.0 3
   PG4 Var_03 O3 C4 C3 O2 65.83 30.0 3
   PG4 Var_04 C6 C5 O3 C4 -179.61 30.0 3
   PG4 Var_05 O4 C6 C5 O3 65.64 30.0 3
   PG4 Var_06 C8 C7 O4 C6 178.70 30.0 3
   PG4 Var_07 O5 C8 C7 O4 65.24 30.0 3
   PG4 Var_08 C3 O2 C2 C1 179.31 30.0 3
   PG4 Var_09 C5 O3 C4 C3 -179.45 30.0 3
   PG4 Var_10 C7 O4 C6 C5 -179.12 30.0 3
   PG4 Var_11 HO1 O1 C1 C2 179.94 30.0 3
   PG4 Var_12 HO5 O5 C8 C7 179.57 30.0 3

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
   PG4 PG4 2,2'-[oxybis(ethane-2,1-diyloxy)]diethanol ligand 31 13 .

