data_8qi8_qFit
_cell.length_a                    121.090
_cell.length_b                    121.090
_cell.length_c                    46.040
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      584631.871
_space_group.crystal_system       hexagonal
_space_group.IT_number            179
_space_group.name_H-M_alt         'P 65 2 2'
_space_group.name_Hall            ' P 65 2 (x,y,z+1/12)'
_symmetry.space_group_name_H-M    'P 65 2 2'
_symmetry.space_group_name_Hall   ' P 65 2 (x,y,z+1/12)'
_symmetry.Int_Tables_number       179
_reflns.B_iso_Wilson_estimate     19.15
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              39.64
_refine.ls_d_res_high             1.35
_refine.pdbx_ls_sigma_F           1.36
_refine.ls_percent_reflns_obs     99.16
_refine.ls_number_reflns_obs      43578
_refine.ls_number_reflns_R_work   41583
_refine.ls_number_reflns_R_free   1995
_refine.ls_R_factor_obs           0.1908
_refine.ls_R_factor_R_work        0.1904
_refine.ls_R_factor_R_free        0.1993
_refine.ls_percent_reflns_R_free  4.58
_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             0.1397
_refine.pdbx_overall_phase_error  24.1687
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                27.85
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 x-y,x,z+5/6
   3 y,-x+y,z+1/6
   4 -y,x-y,z+2/3
   5 -x+y,-x,z+1/3
   6 x-y,-y,-z
   7 -x,-x+y,-z+1/3
   8 -x,-y,z+1/2
   9 y,x,-z+2/3
   10 -y,-x,-z+1/6
   11 -x+y,y,-z+1/2
   12 x,x-y,-z+5/6

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

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

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

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

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 1062 0.0144 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1474 1.3889 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 159 0.1190 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 199 0.0124 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 396 14.3786 ? ?

loop_
  _refine_ls_shell.pdbx_refine_id
  _refine_ls_shell.d_res_high
  _refine_ls_shell.d_res_low
  _refine_ls_shell.number_reflns_R_work
  _refine_ls_shell.R_factor_R_work
  _refine_ls_shell.percent_reflns_obs
  _refine_ls_shell.R_factor_R_free
  _refine_ls_shell.number_reflns_R_free
   'X-RAY DIFFRACTION' 3.26 39.64 3241 0.1693 99.91 0.1658 155
   'X-RAY DIFFRACTION' 2.58 3.26 3056 0.1860 100.00 0.1898 147
   'X-RAY DIFFRACTION' 2.26 2.58 3052 0.1876 100.00 0.1886 146
   'X-RAY DIFFRACTION' 2.05 2.26 2997 0.1804 99.94 0.2207 144
   'X-RAY DIFFRACTION' 1.90 2.05 2982 0.1923 99.90 0.2061 143
   'X-RAY DIFFRACTION' 1.79 1.90 2976 0.2007 99.87 0.2010 144
   'X-RAY DIFFRACTION' 1.70 1.79 2947 0.2005 99.64 0.2323 140
   'X-RAY DIFFRACTION' 1.63 1.70 2981 0.2177 99.78 0.2413 144
   'X-RAY DIFFRACTION' 1.57 1.63 2938 0.2276 99.64 0.2598 140
   'X-RAY DIFFRACTION' 1.51 1.57 2941 0.2354 99.74 0.2796 142
   'X-RAY DIFFRACTION' 1.46 1.51 2945 0.2483 99.39 0.2753 142
   'X-RAY DIFFRACTION' 1.42 1.46 2912 0.2579 99.61 0.2784 139
   'X-RAY DIFFRACTION' 1.38 1.42 2924 0.2814 99.13 0.3475 139
   'X-RAY DIFFRACTION' 1.35 1.38 2691 0.3130 91.56 0.3096 130

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

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 3.54356 2.42580 . . 25.62398 1.50364 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   P . . 9.51135 5.44231 . . 1.42069 35.72801 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CYS
   FMN
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   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 . GLY A 17 ? 14.62219 43.39066 1.51582 1.000 66.42831 N ? A ? 1 N 1
   ATOM 2 CA . GLY A 17 ? 14.86839 44.62854 0.80155 1.000 63.96270 C ? A ? 1 CA 1
   ATOM 3 C . GLY A 17 ? 16.34709 44.89942 0.66006 1.000 65.22462 C ? A ? 1 C 1
   ATOM 4 O . GLY A 17 ? 17.11012 44.74255 1.61658 1.000 80.17977 O ? A ? 1 O 1
   ATOM 5 N . LEU A 18 ? 16.75807 45.31389 -0.53658 1.000 73.98279 N ? A ? 2 N 1
   ATOM 6 CA . LEU A 18 ? 18.17183 45.58122 -0.77724 1.000 69.75719 C ? A ? 2 CA 1
   ATOM 7 C . LEU A 18 ? 18.62100 46.85272 -0.06372 1.000 51.87442 C ? A ? 2 C 1
   ATOM 8 O . LEU A 18 ? 19.58856 46.82436 0.70514 1.000 36.72447 O ? A ? 2 O 1
   ATOM 9 CB . LEU A 18 ? 18.46929 45.63032 -2.28095 1.000 77.12472 C ? A ? 2 CB 1
   ATOM 10 CG . LEU A 18 ? 19.93365 45.48102 -2.69740 1.000 79.71414 C ? A ? 2 CG 1
   ATOM 11 CD1 . LEU A 18 ? 20.03834 44.68754 -4.00341 1.000 87.87363 C ? A ? 2 CD1 1
   ATOM 12 CD2 . LEU A 18 ? 20.56684 46.85140 -2.84813 1.000 66.25737 C ? A ? 2 CD2 1
   ATOM 13 N . ARG A 19 ? 17.94436 47.98579 -0.30966 1.000 35.45564 N ? A ? 3 N 1
   ATOM 14 CA . ARG A 19 ? 18.28797 49.20212 0.43976 1.000 30.23926 C ? A ? 3 CA 1
   ATOM 15 C . ARG A 19 ? 17.79520 49.03715 1.86241 1.000 26.75144 C ? A ? 3 C 1
   ATOM 16 O . ARG A 19 ? 16.64379 48.67205 2.09575 1.000 27.37485 O ? A ? 3 O 1
   ATOM 17 CB . ARG A 19 ? 17.57834 50.42267 -0.11209 1.000 34.16805 C ? A ? 3 CB 1
   ATOM 18 CG . ARG A 19 ? 18.11953 51.01410 -1.42612 1.000 51.75549 C ? A ? 3 CG 1
   ATOM 19 CD . ARG A 19 ? 19.59027 51.36963 -1.35732 1.000 27.70482 C ? A ? 3 CD 1
   ATOM 20 NE . ARG A 19 ? 20.41664 50.30076 -1.86453 1.000 34.49885 N ? A ? 3 NE 1
   ATOM 21 CZ . ARG A 19 ? 21.73910 50.33344 -1.87981 1.000 49.45801 C ? A ? 3 CZ 1
   ATOM 22 NH1 . ARG A 19 ? 22.41691 51.31880 -1.31048 1.000 43.37296 N ? A ? 3 NH1 1
   ATOM 23 NH2 . ARG A 19 ? 22.39349 49.36195 -2.48742 1.000 37.62354 N ? A ? 3 NH2 1
   ATOM 24 N . HIS A 20 ? 18.68635 49.26504 2.82045 1.000 18.73550 N ? A ? 4 N 1
   ATOM 25 CA . HIS A 20 ? 18.31053 49.12101 4.23686 1.000 19.30873 C ? A ? 4 CA 1
   ATOM 26 C . HIS A 20 ? 19.32481 49.87334 5.06646 1.000 18.81876 C ? A ? 4 C 1
   ATOM 27 O . HIS A 20 ? 20.36300 50.30765 4.58222 1.000 18.59581 O ? A ? 4 O 1
   ATOM 28 CB . HIS A 20 ? 18.26955 47.66127 4.63565 1.000 20.71900 C ? A ? 4 CB 1
   ATOM 29 CG . HIS A 20 ? 19.62443 47.01275 4.61747 1.000 20.45998 C ? A ? 4 CG 1
   ATOM 30 ND1 . HIS A 20 ? 20.25474 46.61352 3.45821 1.000 24.64520 N ? A ? 4 ND1 1
   ATOM 31 CD2 . HIS A 20 ? 20.50873 46.78226 5.61072 1.000 21.63163 C ? A ? 4 CD2 1
   ATOM 32 CE1 . HIS A 20 ? 21.43475 46.08249 3.75786 1.000 22.66725 C ? A ? 4 CE1 1
   ATOM 33 NE2 . HIS A 20 ? 21.62101 46.19732 5.05859 1.000 24.09114 N ? A ? 4 NE2 1
   ATOM 34 N A THR A 21 ? 19.01916 50.00117 6.35785 0.246 17.48408 N ? A ? 5 N 1
   ATOM 35 CA A THR A 21 ? 19.92399 50.60584 7.33254 0.246 17.78272 C ? A ? 5 CA 1
   ATOM 36 C A THR A 21 ? 20.08667 49.66224 8.51123 0.246 17.23800 C ? A ? 5 C 1
   ATOM 37 O A THR A 21 ? 19.34475 48.68966 8.65749 0.246 17.77861 O ? A ? 5 O 1
   ATOM 38 CB A THR A 21 ? 19.43788 51.99494 7.76742 0.246 17.63196 C ? A ? 5 CB 1
   ATOM 39 OG1 A THR A 21 ? 18.21467 51.85019 8.49806 0.246 19.07553 O ? A ? 5 OG1 1
   ATOM 40 CG2 A THR A 21 ? 19.17188 52.89215 6.56764 0.246 18.64478 C ? A ? 5 CG2 1
   ATOM 41 N B THR A 21 ? 19.01754 49.99338 6.36061 0.754 17.18406 N ? A ? 5 N 1
   ATOM 42 CA B THR A 21 ? 19.91947 50.59500 7.35557 0.754 17.21640 C ? A ? 5 CA 1
   ATOM 43 C B THR A 21 ? 20.08851 49.64634 8.51501 0.754 16.85898 C ? A ? 5 C 1
   ATOM 44 O B THR A 21 ? 19.38454 48.64520 8.63703 0.754 17.77058 O ? A ? 5 O 1
   ATOM 45 CB B THR A 21 ? 19.50162 52.02023 7.76379 0.754 17.46209 C ? A ? 5 CB 1
   ATOM 46 OG1 B THR A 21 ? 18.30983 51.93271 8.56268 0.754 19.69349 O ? A ? 5 OG1 1
   ATOM 47 CG2 B THR A 21 ? 19.17269 52.90111 6.57546 0.754 18.20531 C ? A ? 5 CG2 1
   ATOM 48 N . PHE A 22 ? 21.08569 49.94357 9.35192 1.000 17.26206 N ? A ? 6 N 1
   ATOM 49 CA . PHE A 22 ? 21.43815 49.01674 10.43391 1.000 17.07247 C ? A ? 6 CA 1
   ATOM 50 C . PHE A 22 ? 21.90953 49.80618 11.64068 1.000 17.65455 C ? A ? 6 C 1
   ATOM 51 O . PHE A 22 ? 22.60351 50.81669 11.50213 1.000 16.71256 O ? A ? 6 O 1
   ATOM 52 CB . PHE A 22 ? 22.61269 48.14557 9.90383 1.000 19.46812 C ? A ? 6 CB 1
   ATOM 53 CG . PHE A 22 ? 23.24447 47.26068 10.89724 1.000 18.54930 C ? A ? 6 CG 1
   ATOM 54 CD1 . PHE A 22 ? 24.38770 47.70863 11.55819 1.000 18.97156 C ? A ? 6 CD1 1
   ATOM 55 CD2 . PHE A 22 ? 22.72227 46.00970 11.20422 1.000 20.07060 C ? A ? 6 CD2 1
   ATOM 56 CE1 . PHE A 22 ? 25.00996 46.91582 12.50597 1.000 19.38062 C ? A ? 6 CE1 1
   ATOM 57 CE2 . PHE A 22 ? 23.33734 45.19899 12.21864 1.000 21.53900 C ? A ? 6 CE2 1
   ATOM 58 CZ . PHE A 22 ? 24.47856 45.67720 12.83269 1.000 21.16741 C ? A ? 6 CZ 1
   ATOM 59 N . VAL A 23 ? 21.51711 49.34604 12.83670 1.000 16.71804 N ? A ? 7 N 1
   ATOM 60 CA . VAL A 23 ? 21.94886 49.96946 14.09197 1.000 16.39904 C ? A ? 7 CA 1
   ATOM 61 C . VAL A 23 ? 22.29336 48.88960 15.09966 1.000 17.42623 C ? A ? 7 C 1
   ATOM 62 O . VAL A 23 ? 21.85264 47.74175 15.01320 1.000 16.86928 O ? A ? 7 O 1
   ATOM 63 CB . VAL A 23 ? 20.88998 50.91622 14.69319 1.000 15.50399 C ? A ? 7 CB 1
   ATOM 64 CG1 . VAL A 23 ? 20.47156 51.98637 13.68424 1.000 17.21589 C ? A ? 7 CG1 1
   ATOM 65 CG2 . VAL A 23 ? 19.65273 50.15385 15.16802 1.000 19.28956 C ? A ? 7 CG2 1
   ATOM 66 N A VAL A 24 ? 23.06779 49.31211 16.09769 0.500 16.23966 N ? A ? 8 N 1
   ATOM 67 CA A VAL A 24 ? 23.35723 48.50456 17.29483 0.500 15.92879 C ? A ? 8 CA 1
   ATOM 68 C A VAL A 24 ? 22.88850 49.27955 18.52877 0.500 15.78417 C ? A ? 8 C 1
   ATOM 69 O A VAL A 24 ? 23.21081 50.46710 18.64980 0.500 16.77380 O ? A ? 8 O 1
   ATOM 70 CB A VAL A 24 ? 24.86594 48.21305 17.45870 0.500 15.93589 C ? A ? 8 CB 1
   ATOM 71 CG1 A VAL A 24 ? 25.06416 47.12515 18.55551 0.500 19.04794 C ? A ? 8 CG1 1
   ATOM 72 CG2 A VAL A 24 ? 25.53523 47.73106 16.13279 0.500 15.86065 C ? A ? 8 CG2 1
   ATOM 73 N B VAL A 24 ? 23.03669 49.30762 16.11359 0.500 16.34679 N ? A ? 8 N 1
   ATOM 74 CA B VAL A 24 ? 23.31519 48.46411 17.28500 0.500 15.83968 C ? A ? 8 CA 1
   ATOM 75 C B VAL A 24 ? 22.93796 49.24307 18.54516 0.500 15.89187 C ? A ? 8 C 1
   ATOM 76 O B VAL A 24 ? 23.37378 50.39156 18.69886 0.500 16.00152 O ? A ? 8 O 1
   ATOM 77 CB B VAL A 24 ? 24.80469 48.07610 17.35458 0.500 16.43922 C ? A ? 8 CB 1
   ATOM 78 CG1 B VAL A 24 ? 25.11729 47.30577 18.65619 0.500 19.30021 C ? A ? 8 CG1 1
   ATOM 79 CG2 B VAL A 24 ? 25.20534 47.21941 16.11301 0.500 15.94981 C ? A ? 8 CG2 1
   ATOM 80 N . ALA A 25 ? 22.17636 48.60104 19.44312 1.000 15.72290 N ? A ? 9 N 1
   ATOM 81 CA . ALA A 25 ? 21.81512 49.16011 20.75682 1.000 16.72577 C ? A ? 9 CA 1
   ATOM 82 C . ALA A 25 ? 22.47504 48.33265 21.85145 1.000 17.83853 C ? A ? 9 C 1
   ATOM 83 O . ALA A 25 ? 22.58533 47.10450 21.75193 1.000 17.51039 O ? A ? 9 O 1
   ATOM 84 CB . ALA A 25 ? 20.27182 49.07226 20.90207 1.000 18.85696 C ? A ? 9 CB 1
   ATOM 85 N . ASP A 26 ? 22.77048 49.02335 22.95369 1.000 18.86606 N ? A ? 10 N 1
   ATOM 86 CA . ASP A 26 ? 23.49401 48.38527 24.06960 1.000 20.10664 C ? A ? 10 CA 1
   ATOM 87 C . ASP A 26 ? 22.51254 47.84999 25.08382 1.000 20.04416 C ? A ? 10 C 1
   ATOM 88 O . ASP A 26 ? 21.92750 48.62475 25.87144 1.000 21.91084 O ? A ? 10 O 1
   ATOM 89 CB . ASP A 26 ? 24.46331 49.37202 24.68678 1.000 22.98559 C ? A ? 10 CB 1
   ATOM 90 CG . ASP A 26 ? 25.47368 48.67882 25.59183 1.000 36.48567 C ? A ? 10 CG 1
   ATOM 91 OD1 . ASP A 26 ? 25.30540 47.45429 25.78734 1.000 27.18399 O ? A ? 10 OD1 1
   ATOM 92 OD2 . ASP A 26 ? 26.41882 49.35444 26.03925 1.000 35.98626 O ? A ? 10 OD2 1
   ATOM 93 N . ALA A 27 ? 22.30248 46.53178 25.07110 1.000 20.94295 N ? A ? 11 N 1
   ATOM 94 CA . ALA A 27 ? 21.37324 45.92075 26.02252 1.000 23.62175 C ? A ? 11 CA 1
   ATOM 95 C . ALA A 27 ? 21.92826 45.82200 27.44467 1.000 25.65354 C ? A ? 11 C 1
   ATOM 96 O . ALA A 27 ? 21.16256 45.40661 28.32430 1.000 28.60950 O ? A ? 11 O 1
   ATOM 97 CB . ALA A 27 ? 20.92553 44.53661 25.52909 1.000 24.20092 C ? A ? 11 CB 1
   ATOM 98 N . THR A 28 ? 23.20332 46.17031 27.65926 1.000 21.06051 N ? A ? 12 N 1
   ATOM 99 CA . THR A 28 ? 23.76618 46.17954 29.04062 1.000 22.02548 C ? A ? 12 CA 1
   ATOM 100 C . THR A 28 ? 23.50856 47.48805 29.74517 1.000 30.41157 C ? A ? 12 C 1
   ATOM 101 O . THR A 28 ? 23.85403 47.60131 30.93994 1.000 28.81772 O ? A ? 12 O 1
   ATOM 102 CB . THR A 28 ? 25.27607 45.99308 28.96677 1.000 22.06319 C ? A ? 12 CB 1
   ATOM 103 OG1 . THR A 28 ? 25.97243 47.11351 28.45088 1.000 29.48684 O ? A ? 12 OG1 1
   ATOM 104 CG2 . THR A 28 ? 25.68332 44.71835 28.22408 1.000 31.70066 C ? A ? 12 CG2 1
   ATOM 105 N . LEU A 29 ? 22.85264 48.44424 29.10579 1.000 23.40138 N ? A ? 13 N 1
   ATOM 106 CA . LEU A 29 ? 22.25858 49.65733 29.69578 1.000 22.65746 C ? A ? 13 CA 1
   ATOM 107 C . LEU A 29 ? 20.74216 49.56625 29.70030 1.000 26.89749 C ? A ? 13 C 1
   ATOM 108 O . LEU A 29 ? 20.13200 48.93843 28.82125 1.000 24.96636 O ? A ? 13 O 1
   ATOM 109 CB . LEU A 29 ? 22.72689 50.94168 28.99744 1.000 22.34830 C ? A ? 13 CB 1
   ATOM 110 CG . LEU A 29 ? 24.19482 51.30500 29.26624 1.000 21.08976 C ? A ? 13 CG 1
   ATOM 111 CD1 . LEU A 29 ? 24.72830 52.39613 28.29218 1.000 26.42087 C ? A ? 13 CD1 1
   ATOM 112 CD2 . LEU A 29 ? 24.34181 51.79845 30.76720 1.000 23.86333 C ? A ? 13 CD2 1
   ATOM 113 N . PRO A 30 ? 20.07322 50.19831 30.65428 1.000 22.79362 N ? A ? 14 N 1
   ATOM 114 CA . PRO A 30 ? 18.67137 49.87664 30.88140 1.000 20.45742 C ? A ? 14 CA 1
   ATOM 115 C . PRO A 30 ? 17.73606 50.34094 29.77231 1.000 25.09076 C ? A ? 14 C 1
   ATOM 116 O . PRO A 30 ? 16.64045 49.77718 29.61901 1.000 25.16663 O ? A ? 14 O 1
   ATOM 117 CB . PRO A 30 ? 18.35360 50.53759 32.22942 1.000 28.86651 C ? A ? 14 CB 1
   ATOM 118 CG . PRO A 30 ? 19.51789 51.39456 32.53155 1.000 26.11232 C ? A ? 14 CG 1
   ATOM 119 CD . PRO A 30 ? 20.68990 50.92425 31.77595 1.000 22.31591 C ? A ? 14 CD 1
   ATOM 120 N . ASP A 31 ? 18.10479 51.38305 29.01920 1.000 19.57283 N ? A ? 15 N 1
   ATOM 121 CA . ASP A 31 ? 17.16295 51.88618 28.02106 1.000 21.65685 C ? A ? 15 CA 1
   ATOM 122 C . ASP A 31 ? 17.65947 51.59920 26.60134 1.000 20.90861 C ? A ? 15 C 1
   ATOM 123 O . ASP A 31 ? 17.25827 52.27949 25.65877 1.000 21.55355 O ? A ? 15 O 1
   ATOM 124 CB . ASP A 31 ? 16.86911 53.38469 28.16702 1.000 21.34809 C ? A ? 15 CB 1
   ATOM 125 CG . ASP A 31 ? 15.56398 53.81054 27.50152 1.000 20.52849 C ? A ? 15 CG 1
   ATOM 126 OD1 . ASP A 31 ? 14.65371 52.94284 27.44409 1.000 23.64970 O ? A ? 15 OD1 1
   ATOM 127 OD2 . ASP A 31 ? 15.48373 54.99418 27.06915 1.000 22.55005 O ? A ? 15 OD2 1
   ATOM 128 N A CYS A 32 ? 18.56340 50.63940 26.45033 0.368 18.61167 N ? A ? 16 N 1
   ATOM 129 CA A CYS A 32 ? 18.97810 50.14615 25.14254 0.368 20.19190 C ? A ? 16 CA 1
   ATOM 130 C A CYS A 32 ? 19.39505 51.27207 24.18361 0.368 19.44146 C ? A ? 16 C 1
   ATOM 131 O A CYS A 32 ? 18.88779 51.36066 23.07410 0.368 19.48486 O ? A ? 16 O 1
   ATOM 132 CB A CYS A 32 ? 17.81333 49.35881 24.56180 0.368 24.70910 C ? A ? 16 CB 1
   ATOM 133 SG A CYS A 32 ? 18.24733 47.82787 23.71252 0.368 20.17906 S ? A ? 16 SG 1
   ATOM 134 N B CYS A 32 ? 18.52146 50.59953 26.43123 0.388 18.55251 N ? A ? 16 N 1
   ATOM 135 CA B CYS A 32 ? 18.99604 50.14825 25.12279 0.388 20.09991 C ? A ? 16 CA 1
   ATOM 136 C B CYS A 32 ? 19.38627 51.29993 24.19271 0.388 19.39031 C ? A ? 16 C 1
   ATOM 137 O B CYS A 32 ? 18.84211 51.41549 23.09349 0.388 19.50858 O ? A ? 16 O 1
   ATOM 138 CB B CYS A 32 ? 17.95826 49.25205 24.46387 0.388 25.88515 C ? A ? 16 CB 1
   ATOM 139 SG B CYS A 32 ? 17.94355 47.60910 25.09421 0.388 27.21938 S ? A ? 16 SG 1
   ATOM 140 N C CYS A 32 ? 18.51514 50.59475 26.43737 0.244 18.49680 N ? A ? 16 N 1
   ATOM 141 CA C CYS A 32 ? 19.00400 50.14010 25.13620 0.244 20.27193 C ? A ? 16 CA 1
   ATOM 142 C C CYS A 32 ? 19.38734 51.28734 24.19897 0.244 19.37292 C ? A ? 16 C 1
   ATOM 143 O C CYS A 32 ? 18.83124 51.40157 23.09945 0.244 19.54105 O ? A ? 16 O 1
   ATOM 144 CB C CYS A 32 ? 17.99305 49.21074 24.47924 0.244 25.95201 C ? A ? 16 CB 1
   ATOM 145 SG C CYS A 32 ? 18.11203 47.52848 25.06229 0.244 26.91413 S ? A ? 16 SG 1
   ATOM 146 N . PRO A 33 ? 20.34510 52.12202 24.57537 1.000 17.82030 N ? A ? 17 N 1
   ATOM 147 CA . PRO A 33 ? 20.70961 53.25459 23.70874 1.000 21.24960 C ? A ? 17 CA 1
   ATOM 148 C . PRO A 33 ? 21.49729 52.80950 22.48902 1.000 20.32989 C ? A ? 17 C 1
   ATOM 149 O . PRO A 33 ? 22.21260 51.80626 22.50338 1.000 19.17634 O ? A ? 17 O 1
   ATOM 150 CB . PRO A 33 ? 21.59971 54.11115 24.60868 1.000 21.61162 C ? A ? 17 CB 1
   ATOM 151 CG . PRO A 33 ? 22.20338 53.06650 25.58804 1.000 21.33643 C ? A ? 17 CG 1
   ATOM 152 CD . PRO A 33 ? 21.11117 52.10142 25.84514 1.000 17.23635 C ? A ? 17 CD 1
   ATOM 153 N . LEU A 34 ? 21.36501 53.59756 21.44664 1.000 18.60701 N ? A ? 18 N 1
   ATOM 154 CA . LEU A 34 ? 22.15817 53.34117 20.23399 1.000 18.83149 C ? A ? 18 CA 1
   ATOM 155 C . LEU A 34 ? 23.64804 53.52134 20.50595 1.000 20.82367 C ? A ? 18 C 1
   ATOM 156 O . LEU A 34 ? 24.07559 54.51195 21.11809 1.000 21.38955 O ? A ? 18 O 1
   ATOM 157 CB . LEU A 34 ? 21.73438 54.38493 19.20364 1.000 20.81971 C ? A ? 18 CB 1
   ATOM 158 CG . LEU A 34 ? 20.71278 54.15864 18.13530 1.000 42.09544 C ? A ? 18 CG 1
   ATOM 159 CD1 . LEU A 34 ? 20.38911 55.53838 17.53429 1.000 34.36896 C ? A ? 18 CD1 1
   ATOM 160 CD2 . LEU A 34 ? 21.44504 53.26148 17.10829 1.000 24.77529 C ? A ? 18 CD2 1
   ATOM 161 N A VAL A 35 ? 24.45494 52.58291 20.00386 0.305 17.48663 N ? A ? 19 N 1
   ATOM 162 CA A VAL A 35 ? 25.90862 52.66932 20.08389 0.305 17.34286 C ? A ? 19 CA 1
   ATOM 163 C A VAL A 35 ? 26.57158 52.74791 18.71793 0.305 17.19742 C ? A ? 19 C 1
   ATOM 164 O A VAL A 35 ? 27.76770 53.05781 18.63965 0.305 18.06066 O ? A ? 19 O 1
   ATOM 165 CB A VAL A 35 ? 26.54035 51.52041 20.91005 0.305 16.68981 C ? A ? 19 CB 1
   ATOM 166 CG1 A VAL A 35 ? 25.91344 51.44012 22.30291 0.305 16.91100 C ? A ? 19 CG1 1
   ATOM 167 CG2 A VAL A 35 ? 26.49486 50.17776 20.15741 0.305 18.94254 C ? A ? 19 CG2 1
   ATOM 168 N B VAL A 35 ? 24.47639 52.59611 20.00703 0.695 17.09801 N ? A ? 19 N 1
   ATOM 169 CA B VAL A 35 ? 25.91280 52.77927 20.08936 0.695 17.01304 C ? A ? 19 CA 1
   ATOM 170 C B VAL A 35 ? 26.55088 52.87173 18.72275 0.695 16.22201 C ? A ? 19 C 1
   ATOM 171 O B VAL A 35 ? 27.68335 53.34831 18.63474 0.695 18.11723 O ? A ? 19 O 1
   ATOM 172 CB B VAL A 35 ? 26.64637 51.71954 20.95158 0.695 18.19226 C ? A ? 19 CB 1
   ATOM 173 CG1 B VAL A 35 ? 26.31378 51.92856 22.42281 0.695 20.79615 C ? A ? 19 CG1 1
   ATOM 174 CG2 B VAL A 35 ? 26.31361 50.32704 20.51542 0.695 19.45292 C ? A ? 19 CG2 1
   ATOM 175 N . TYR A 36 ? 25.85826 52.44012 17.63358 1.000 16.28438 N ? A ? 20 N 1
   ATOM 176 CA . TYR A 36 ? 26.40669 52.49923 16.27349 1.000 16.01558 C ? A ? 20 CA 1
   ATOM 177 C . TYR A 36 ? 25.22518 52.55217 15.32880 1.000 17.48674 C ? A ? 20 C 1
   ATOM 178 O . TYR A 36 ? 24.18800 51.91146 15.57937 1.000 16.58748 O ? A ? 20 O 1
   ATOM 179 CB . TYR A 36 ? 27.23735 51.22099 16.00924 1.000 16.87585 C ? A ? 20 CB 1
   ATOM 180 CG . TYR A 36 ? 27.62247 51.17996 14.53678 1.000 17.01106 C ? A ? 20 CG 1
   ATOM 181 CD1 . TYR A 36 ? 28.63784 52.00617 14.01908 1.000 17.06572 C ? A ? 20 CD1 1
   ATOM 182 CD2 . TYR A 36 ? 26.97776 50.31302 13.66400 1.000 18.20188 C ? A ? 20 CD2 1
   ATOM 183 CE1 . TYR A 36 ? 28.96493 51.97770 12.63279 1.000 16.86236 C ? A ? 20 CE1 1
   ATOM 184 CE2 . TYR A 36 ? 27.31652 50.27070 12.26939 1.000 18.62451 C ? A ? 20 CE2 1
   ATOM 185 CZ . TYR A 36 ? 28.29287 51.11036 11.83459 1.000 16.94389 C ? A ? 20 CZ 1
   ATOM 186 OH . TYR A 36 ? 28.55647 51.05818 10.46951 1.000 19.38958 O ? A ? 20 OH 1
   ATOM 187 N A ALA A 37 ? 25.38400 53.29568 14.23771 0.000 17.06939 N ? A ? 21 N 1
   ATOM 188 CA A ALA A 37 ? 24.38710 53.35428 13.18194 0.000 17.45922 C ? A ? 21 CA 1
   ATOM 189 C A ALA A 37 ? 25.09908 53.46992 11.84883 0.000 18.36936 C ? A ? 21 C 1
   ATOM 190 O A ALA A 37 ? 26.07871 54.20597 11.72298 0.000 18.13398 O ? A ? 21 O 1
   ATOM 191 CB A ALA A 37 ? 23.44391 54.55177 13.37028 0.000 20.81361 C ? A ? 21 CB 1
   ATOM 192 N B ALA A 37 ? 25.39524 53.30428 14.24317 1.000 16.96438 N ? A ? 21 N 1
   ATOM 193 CA B ALA A 37 ? 24.40828 53.28334 13.17088 1.000 17.19193 C ? A ? 21 CA 1
   ATOM 194 C B ALA A 37 ? 25.15191 53.39590 11.85748 1.000 18.31121 C ? A ? 21 C 1
   ATOM 195 O B ALA A 37 ? 26.17520 54.08245 11.76395 1.000 18.08924 O ? A ? 21 O 1
   ATOM 196 CB B ALA A 37 ? 23.42179 54.46830 13.28748 1.000 20.76611 C ? A ? 21 CB 1
   ATOM 197 N . SER A 38 ? 24.60899 52.73339 10.85270 1.000 16.43627 N ? A ? 22 N 1
   ATOM 198 CA . SER A 38 ? 25.23546 52.76764 9.53986 1.000 17.35571 C ? A ? 22 CA 1
   ATOM 199 C . SER A 38 ? 25.09016 54.15670 8.88261 1.000 16.88491 C ? A ? 22 C 1
   ATOM 200 O . SER A 38 ? 24.25408 54.99407 9.25702 1.000 16.96750 O ? A ? 22 O 1
   ATOM 201 CB . SER A 38 ? 24.58332 51.71808 8.66988 1.000 19.50224 C ? A ? 22 CB 1
   ATOM 202 OG . SER A 38 ? 23.23160 52.09080 8.35777 1.000 18.23477 O ? A ? 22 OG 1
   ATOM 203 N . GLU A 39 ? 25.96653 54.40492 7.89476 1.000 18.40442 N ? A ? 23 N 1
   ATOM 204 CA . GLU A 39 ? 25.88477 55.63777 7.12082 1.000 18.95121 C ? A ? 23 CA 1
   ATOM 205 C . GLU A 39 ? 24.45384 55.86125 6.62486 1.000 17.88149 C ? A ? 23 C 1
   ATOM 206 O . GLU A 39 ? 23.93926 56.99322 6.70069 1.000 18.26688 O ? A ? 23 O 1
   ATOM 207 CB . GLU A 39 ? 26.85384 55.47302 5.93033 1.000 19.48484 C ? A ? 23 CB 1
   ATOM 208 CG . GLU A 39 ? 26.77012 56.56217 4.87527 1.000 25.74641 C ? A ? 23 CG 1
   ATOM 209 CD . GLU A 39 ? 27.76044 56.35869 3.72315 1.000 50.34744 C ? A ? 23 CD 1
   ATOM 210 OE1 . GLU A 39 ? 28.72306 55.59915 3.87012 1.000 39.99085 O ? A ? 23 OE1 1
   ATOM 211 OE2 . GLU A 39 ? 27.60397 56.96670 2.66355 1.000 29.91399 O ? A ? 23 OE2 1
   ATOM 212 N A GLY A 40 ? 23.81777 54.80367 6.10918 0.730 15.52973 N ? A ? 24 N 1
   ATOM 213 CA A GLY A 40 ? 22.45561 54.95439 5.58978 0.730 16.31953 C ? A ? 24 CA 1
   ATOM 214 C A GLY A 40 ? 21.47608 55.40368 6.66373 0.730 16.07057 C ? A ? 24 C 1
   ATOM 215 O A GLY A 40 ? 20.57509 56.20244 6.37045 0.730 17.10426 O ? A ? 24 O 1
   ATOM 216 N B GLY A 40 ? 23.78927 54.80483 6.14153 0.270 15.70370 N ? A ? 24 N 1
   ATOM 217 CA B GLY A 40 ? 22.44075 54.96061 5.60089 0.270 16.39095 C ? A ? 24 CA 1
   ATOM 218 C B GLY A 40 ? 21.38050 55.26465 6.65112 0.270 16.56625 C ? A ? 24 C 1
   ATOM 219 O B GLY A 40 ? 20.31589 55.80015 6.32633 0.270 11.59377 O ? A ? 24 O 1
   ATOM 220 N . PHE A 41 ? 21.60482 54.87458 7.90578 1.000 15.79023 N ? A ? 25 N 1
   ATOM 221 CA . PHE A 41 ? 20.62272 55.24865 8.94498 1.000 15.48126 C ? A ? 25 CA 1
   ATOM 222 C . PHE A 41 ? 20.64262 56.76029 9.17109 1.000 14.75168 C ? A ? 25 C 1
   ATOM 223 O . PHE A 41 ? 19.59082 57.42790 9.19250 1.000 16.61694 O ? A ? 25 O 1
   ATOM 224 CB . PHE A 41 ? 20.95590 54.52747 10.25052 1.000 16.38313 C ? A ? 25 CB 1
   ATOM 225 CG . PHE A 41 ? 20.02881 54.93562 11.38178 1.000 17.41402 C ? A ? 25 CG 1
   ATOM 226 CD1 . PHE A 41 ? 18.84406 54.23356 11.54499 1.000 17.17303 C ? A ? 25 CD1 1
   ATOM 227 CD2 . PHE A 41 ? 20.36414 55.99744 12.23708 1.000 16.36565 C ? A ? 25 CD2 1
   ATOM 228 CE1 . PHE A 41 ? 17.91975 54.57615 12.59165 1.000 17.63602 C ? A ? 25 CE1 1
   ATOM 229 CE2 . PHE A 41 ? 19.46980 56.34791 13.31082 1.000 17.64913 C ? A ? 25 CE2 1
   ATOM 230 CZ . PHE A 41 ? 18.25981 55.62980 13.49090 1.000 18.01144 C ? A ? 25 CZ 1
   ATOM 231 N . TYR A 42 ? 21.82443 57.35639 9.30253 1.000 15.51648 N ? A ? 26 N 1
   ATOM 232 CA . TYR A 42 ? 21.93291 58.77285 9.49810 1.000 15.96449 C ? A ? 26 CA 1
   ATOM 233 C . TYR A 42 ? 21.38885 59.51553 8.29088 1.000 17.73083 C ? A ? 26 C 1
   ATOM 234 O . TYR A 42 ? 20.63841 60.49644 8.41975 1.000 17.68381 O ? A ? 26 O 1
   ATOM 235 CB . TYR A 42 ? 23.38538 59.20171 9.76999 1.000 17.74749 C ? A ? 26 CB 1
   ATOM 236 CG . TYR A 42 ? 23.96803 58.63384 11.04388 1.000 16.52929 C ? A ? 26 CG 1
   ATOM 237 CD1 . TYR A 42 ? 23.36994 58.88404 12.28912 1.000 15.62218 C ? A ? 26 CD1 1
   ATOM 238 CD2 . TYR A 42 ? 25.11740 57.88341 11.04081 1.000 18.74276 C ? A ? 26 CD2 1
   ATOM 239 CE1 . TYR A 42 ? 23.93169 58.39005 13.47565 1.000 18.57608 C ? A ? 26 CE1 1
   ATOM 240 CE2 . TYR A 42 ? 25.66610 57.36794 12.21663 1.000 17.63350 C ? A ? 26 CE2 1
   ATOM 241 CZ . TYR A 42 ? 25.03297 57.61722 13.39318 1.000 16.69392 C ? A ? 26 CZ 1
   ATOM 242 OH . TYR A 42 ? 25.59600 57.15242 14.59429 1.000 18.97874 O ? A ? 26 OH 1
   ATOM 243 N A ALA A 43 ? 21.76944 59.07670 7.08552 0.885 16.95073 N ? A ? 27 N 1
   ATOM 244 CA A ALA A 43 ? 21.36521 59.77846 5.87110 0.885 17.17627 C ? A ? 27 CA 1
   ATOM 245 C A ALA A 43 ? 19.84495 59.70330 5.66733 0.885 16.49187 C ? A ? 27 C 1
   ATOM 246 O A ALA A 43 ? 19.21129 60.72254 5.30769 0.885 18.32002 O ? A ? 27 O 1
   ATOM 247 CB A ALA A 43 ? 22.14187 59.17943 4.69977 0.885 18.04132 C ? A ? 27 CB 1
   ATOM 248 N B ALA A 43 ? 21.75492 59.06844 7.08776 0.115 17.04407 N ? A ? 27 N 1
   ATOM 249 CA B ALA A 43 ? 21.35507 59.79300 5.88632 0.115 17.32267 C ? A ? 27 CA 1
   ATOM 250 C B ALA A 43 ? 19.85004 59.71178 5.65877 0.115 16.46972 C ? A ? 27 C 1
   ATOM 251 O B ALA A 43 ? 19.22152 60.70600 5.27056 0.115 18.35625 O ? A ? 27 O 1
   ATOM 252 CB B ALA A 43 ? 22.12024 59.26231 4.67408 0.115 18.38846 C ? A ? 27 CB 1
   ATOM 253 N . MET A 44 ? 19.25618 58.54420 5.90465 1.000 16.94254 N ? A ? 28 N 1
   ATOM 254 CA . MET A 44 ? 17.81914 58.36370 5.68192 1.000 17.44279 C ? A ? 28 CA 1
   ATOM 255 C . MET A 44 ? 16.99914 59.17467 6.69118 1.000 18.74888 C ? A ? 28 C 1
   ATOM 256 O . MET A 44 ? 16.06171 59.92108 6.32480 1.000 19.91576 O ? A ? 28 O 1
   ATOM 257 CB . MET A 44 ? 17.48350 56.89549 5.86200 1.000 19.36021 C ? A ? 28 CB 1
   ATOM 258 CG . MET A 44 ? 16.02346 56.52845 5.77193 1.000 28.56837 C ? A ? 28 CG 1
   ATOM 259 SD . MET A 44 ? 15.60091 54.79346 6.05569 1.000 27.22102 S ? A ? 28 SD 1
   ATOM 260 CE . MET A 44 ? 15.83931 54.60449 7.80325 1.000 29.63028 C ? A ? 28 CE 1
   ATOM 261 N . THR A 45 ? 17.39486 59.12966 7.96687 1.000 16.94993 N ? A ? 29 N 1
   ATOM 262 CA . THR A 45 ? 16.57116 59.75430 9.02907 1.000 17.62111 C ? A ? 29 CA 1
   ATOM 263 C . THR A 45 ? 16.81415 61.23734 9.13170 1.000 16.27588 C ? A ? 29 C 1
   ATOM 264 O . THR A 45 ? 15.96051 61.95400 9.68886 1.000 19.10738 O ? A ? 29 O 1
   ATOM 265 CB . THR A 45 ? 16.83696 59.10852 10.38482 1.000 17.60928 C ? A ? 29 CB 1
   ATOM 266 OG1 . THR A 45 ? 18.19041 59.38242 10.80949 1.000 17.31230 O ? A ? 29 OG1 1
   ATOM 267 CG2 . THR A 45 ? 16.53636 57.61224 10.37042 1.000 18.65393 C ? A ? 29 CG2 1
   ATOM 268 N . GLY A 46 ? 17.93081 61.73537 8.67296 1.000 16.74931 N ? A ? 30 N 1
   ATOM 269 CA . GLY A 46 ? 18.30401 63.13983 8.75922 1.000 17.82442 C ? A ? 30 CA 1
   ATOM 270 C . GLY A 46 ? 19.00929 63.52918 10.06180 1.000 19.14256 C ? A ? 30 C 1
   ATOM 271 O . GLY A 46 ? 19.31964 64.71631 10.23063 1.000 20.55273 O ? A ? 30 O 1
   ATOM 272 N . TYR A 47 ? 19.32032 62.57501 10.91916 1.000 19.07893 N ? A ? 31 N 1
   ATOM 273 CA . TYR A 47 ? 20.03231 62.83127 12.16851 1.000 18.80645 C ? A ? 31 CA 1
   ATOM 274 C . TYR A 47 ? 21.48750 62.43933 11.98164 1.000 20.60938 C ? A ? 31 C 1
   ATOM 275 O . TYR A 47 ? 21.83724 61.60078 11.14831 1.000 24.52329 O ? A ? 31 O 1
   ATOM 276 CB . TYR A 47 ? 19.43639 61.96667 13.26167 1.000 19.76508 C ? A ? 31 CB 1
   ATOM 277 CG . TYR A 47 ? 18.02279 62.34670 13.64379 1.000 18.66847 C ? A ? 31 CG 1
   ATOM 278 CD1 . TYR A 47 ? 17.75255 63.48609 14.45368 1.000 20.25259 C ? A ? 31 CD1 1
   ATOM 279 CD2 . TYR A 47 ? 16.93223 61.57014 13.25955 1.000 19.40351 C ? A ? 31 CD2 1
   ATOM 280 CE1 . TYR A 47 ? 16.45185 63.82472 14.79606 1.000 21.86102 C ? A ? 31 CE1 1
   ATOM 281 CE2 . TYR A 47 ? 15.60029 61.93308 13.56472 1.000 19.44450 C ? A ? 31 CE2 1
   ATOM 282 CZ . TYR A 47 ? 15.38477 63.06763 14.38191 1.000 20.95498 C ? A ? 31 CZ 1
   ATOM 283 OH . TYR A 47 ? 14.11213 63.42215 14.75459 1.000 21.71673 O ? A ? 31 OH 1
   ATOM 284 N . GLY A 48 ? 22.37516 63.09351 12.74863 1.000 19.12453 N ? A ? 32 N 1
   ATOM 285 CA . GLY A 48 ? 23.75848 62.68582 12.74866 1.000 19.62811 C ? A ? 32 CA 1
   ATOM 286 C . GLY A 48 ? 24.12762 62.02097 14.08297 1.000 19.39364 C ? A ? 32 C 1
   ATOM 287 O . GLY A 48 ? 23.35058 62.01282 15.04606 1.000 19.96781 O ? A ? 32 O 1
   ATOM 288 N . PRO A 49 ? 25.31885 61.43448 14.13573 1.000 19.65813 N ? A ? 33 N 1
   ATOM 289 CA . PRO A 49 ? 25.75589 60.77371 15.40150 1.000 20.81028 C ? A ? 33 CA 1
   ATOM 290 C . PRO A 49 ? 25.75056 61.69845 16.58239 1.000 24.54788 C ? A ? 33 C 1
   ATOM 291 O . PRO A 49 ? 25.46923 61.22915 17.71091 1.000 23.80071 O ? A ? 33 O 1
   ATOM 292 CB . PRO A 49 ? 27.16213 60.23585 15.06882 1.000 22.78868 C ? A ? 33 CB 1
   ATOM 293 CG . PRO A 49 ? 27.56179 60.80048 13.69299 1.000 23.68366 C ? A ? 33 CG 1
   ATOM 294 CD . PRO A 49 ? 26.28225 61.27481 13.01351 1.000 22.27101 C ? A ? 33 CD 1
   ATOM 295 N . ASP A 50 ? 26.05313 62.98240 16.39652 1.000 25.20791 N ? A ? 34 N 1
   ATOM 296 CA . ASP A 50 ? 26.11493 63.90960 17.52031 1.000 30.91579 C ? A ? 34 CA 1
   ATOM 297 C . ASP A 50 ? 24.76768 64.25597 18.03350 1.000 33.96216 C ? A ? 34 C 1
   ATOM 298 O . ASP A 50 ? 24.64246 64.96527 19.03765 1.000 46.33772 O ? A ? 34 O 1
   ATOM 299 CB . ASP A 50 ? 26.92032 65.16449 17.15549 1.000 47.48443 C ? A ? 34 CB 1
   ATOM 300 CG . ASP A 50 ? 26.53560 65.74932 15.79750 1.000 106.93594 C ? A ? 34 CG 1
   ATOM 301 OD1 . ASP A 50 ? 26.34056 66.98260 15.73779 1.000 88.03841 O ? A ? 34 OD1 1
   ATOM 302 OD2 . ASP A 50 ? 26.44509 65.00771 14.79014 1.000 134.66180 O ? A ? 34 OD2 1
   ATOM 303 N . GLU A 51 ? 23.72998 63.75308 17.39045 1.000 26.61786 N ? A ? 35 N 1
   ATOM 304 CA . GLU A 51 ? 22.37619 63.92793 17.83125 1.000 22.09765 C ? A ? 35 CA 1
   ATOM 305 C . GLU A 51 ? 21.71038 62.66710 18.33216 1.000 28.57555 C ? A ? 35 C 1
   ATOM 306 O . GLU A 51 ? 20.75780 62.77782 19.11875 1.000 47.74882 O ? A ? 35 O 1
   ATOM 307 CB . GLU A 51 ? 21.49313 64.45016 16.68071 1.000 26.04975 C ? A ? 35 CB 1
   ATOM 308 CG . GLU A 51 ? 21.80492 65.83847 16.24515 1.000 29.55728 C ? A ? 35 CG 1
   ATOM 309 CD . GLU A 51 ? 21.14489 66.14488 14.93368 1.000 42.83752 C ? A ? 35 CD 1
   ATOM 310 OE1 . GLU A 51 ? 21.55266 65.54333 13.93206 1.000 27.84919 O ? A ? 35 OE1 1
   ATOM 311 OE2 . GLU A 51 ? 20.19326 66.94235 14.92149 1.000 34.25662 O ? A ? 35 OE2 1
   ATOM 312 N . VAL A 52 ? 22.19448 61.47242 17.99411 1.000 19.80139 N ? A ? 36 N 1
   ATOM 313 CA . VAL A 52 ? 21.46198 60.27779 18.36965 1.000 23.08018 C ? A ? 36 CA 1
   ATOM 314 C . VAL A 52 ? 22.27325 59.16211 19.05263 1.000 18.25379 C ? A ? 36 C 1
   ATOM 315 O . VAL A 52 ? 21.64857 58.27030 19.66430 1.000 18.73466 O ? A ? 36 O 1
   ATOM 316 CB . VAL A 52 ? 20.56405 59.73806 17.27777 1.000 22.32874 C ? A ? 36 CB 1
   ATOM 317 CG1 . VAL A 52 ? 19.57277 60.83110 16.85637 1.000 24.70453 C ? A ? 36 CG1 1
   ATOM 318 CG2 . VAL A 52 ? 21.48864 59.31871 16.12105 1.000 18.97397 C ? A ? 36 CG2 1
   ATOM 319 N . LEU A 53 ? 23.60419 59.12359 18.94041 1.000 18.80170 N ? A ? 37 N 1
   ATOM 320 CA . LEU A 53 ? 24.30385 58.12559 19.74900 1.000 16.67229 C ? A ? 37 CA 1
   ATOM 321 C . LEU A 53 ? 24.05084 58.36518 21.25238 1.000 19.53057 C ? A ? 37 C 1
   ATOM 322 O . LEU A 53 ? 23.98518 59.52027 21.70975 1.000 18.74286 O ? A ? 37 O 1
   ATOM 323 CB . LEU A 53 ? 25.82013 58.21716 19.48309 1.000 18.47596 C ? A ? 37 CB 1
   ATOM 324 CG . LEU A 53 ? 26.19152 57.73277 18.07776 1.000 18.02806 C ? A ? 37 CG 1
   ATOM 325 CD1 . LEU A 53 ? 27.69656 57.98084 17.99218 1.000 22.19037 C ? A ? 37 CD1 1
   ATOM 326 CD2 . LEU A 53 ? 25.80619 56.27859 17.93100 1.000 19.46229 C ? A ? 37 CD2 1
   ATOM 327 N . GLY A 54 ? 23.85068 57.27532 21.95839 1.000 17.28357 N ? A ? 38 N 1
   ATOM 328 CA . GLY A 54 ? 23.47199 57.33595 23.35201 1.000 15.60146 C ? A ? 38 CA 1
   ATOM 329 C . GLY A 54 ? 21.98518 57.44252 23.59174 1.000 17.31116 C ? A ? 38 C 1
   ATOM 330 O . GLY A 54 ? 21.56648 57.54500 24.76798 1.000 19.10364 O ? A ? 38 O 1
   ATOM 331 N . HIS A 55 ? 21.16544 57.47794 22.53861 1.000 18.57174 N ? A ? 39 N 1
   ATOM 332 CA . HIS A 55 ? 19.72057 57.60499 22.67956 1.000 17.45123 C ? A ? 39 CA 1
   ATOM 333 C . HIS A 55 ? 19.01166 56.33845 22.24768 1.000 18.63217 C ? A ? 39 C 1
   ATOM 334 O . HIS A 55 ? 19.43635 55.69976 21.28381 1.000 18.96550 O ? A ? 39 O 1
   ATOM 335 CB . HIS A 55 ? 19.17139 58.77134 21.87734 1.000 21.66058 C ? A ? 39 CB 1
   ATOM 336 CG . HIS A 55 ? 19.66495 60.08589 22.36902 1.000 22.21625 C ? A ? 39 CG 1
   ATOM 337 ND1 . HIS A 55 ? 19.29308 60.57721 23.62235 1.000 30.24322 N ? A ? 39 ND1 1
   ATOM 338 CD2 . HIS A 55 ? 20.62645 60.89359 21.90148 1.000 22.42061 C ? A ? 39 CD2 1
   ATOM 339 CE1 . HIS A 55 ? 19.93984 61.71891 23.82414 1.000 31.62943 C ? A ? 39 CE1 1
   ATOM 340 NE2 . HIS A 55 ? 20.72017 61.94981 22.76855 1.000 28.93561 N ? A ? 39 NE2 1
   ATOM 341 N . ASN A 56 ? 17.91120 55.98296 22.90361 1.000 19.39724 N ? A ? 40 N 1
   ATOM 342 CA . ASN A 56 ? 17.00500 54.93575 22.43706 1.000 16.96151 C ? A ? 40 CA 1
   ATOM 343 C . ASN A 56 ? 16.35877 55.37666 21.12333 1.000 18.29867 C ? A ? 40 C 1
   ATOM 344 O . ASN A 56 ? 16.05507 56.55351 20.92486 1.000 19.07968 O ? A ? 40 O 1
   ATOM 345 CB . ASN A 56 ? 15.91874 54.74575 23.50760 1.000 17.75476 C ? A ? 40 CB 1
   ATOM 346 CG . ASN A 56 ? 14.99660 53.61924 23.20230 1.000 19.90018 C ? A ? 40 CG 1
   ATOM 347 OD1 . ASN A 56 ? 14.11632 53.76582 22.32824 1.000 19.08393 O ? A ? 40 OD1 1
   ATOM 348 ND2 . ASN A 56 ? 15.19498 52.46722 23.87219 1.000 22.39037 N ? A ? 40 ND2 1
   ATOM 349 N A CYS A 57 ? 16.13612 54.40815 20.23094 0.232 17.04567 N ? A ? 41 N 1
   ATOM 350 CA A CYS A 57 ? 15.66728 54.67754 18.87550 0.232 19.56321 C ? A ? 41 CA 1
   ATOM 351 C A CYS A 57 ? 14.22815 55.15317 18.79482 0.232 17.03802 C ? A ? 41 C 1
   ATOM 352 O A CYS A 57 ? 13.75976 55.47250 17.68767 0.232 19.04569 O ? A ? 41 O 1
   ATOM 353 CB A CYS A 57 ? 15.86878 53.43569 18.00352 0.232 17.87684 C ? A ? 41 CB 1
   ATOM 354 SG A CYS A 57 ? 17.55076 53.28832 17.43525 0.232 16.47128 S ? A ? 41 SG 1
   ATOM 355 N B CYS A 57 ? 16.16613 54.40340 20.22580 0.463 16.74314 N ? A ? 41 N 1
   ATOM 356 CA B CYS A 57 ? 15.67218 54.62317 18.86990 0.463 19.51993 C ? A ? 41 CA 1
   ATOM 357 C B CYS A 57 ? 14.27000 55.23896 18.80511 0.463 17.46394 C ? A ? 41 C 1
   ATOM 358 O B CYS A 57 ? 13.87225 55.74244 17.72742 0.463 18.28485 O ? A ? 41 O 1
   ATOM 359 CB B CYS A 57 ? 15.78318 53.27268 18.11035 0.463 18.50772 C ? A ? 41 CB 1
   ATOM 360 SG B CYS A 57 ? 17.50637 52.79254 17.73438 0.463 25.03679 S ? A ? 41 SG 1
   ATOM 361 N C CYS A 57 ? 16.19207 54.41106 20.18404 0.305 16.89121 N ? A ? 41 N 1
   ATOM 362 CA C CYS A 57 ? 15.67096 54.69704 18.83287 0.305 19.55047 C ? A ? 41 CA 1
   ATOM 363 C C CYS A 57 ? 14.19727 55.04647 18.79170 0.305 17.20314 C ? A ? 41 C 1
   ATOM 364 O C CYS A 57 ? 13.62908 55.17954 17.67753 0.305 19.32923 O ? A ? 41 O 1
   ATOM 365 CB C CYS A 57 ? 15.93006 53.50817 17.89871 0.305 17.48210 C ? A ? 41 CB 1
   ATOM 366 SG C CYS A 57 ? 16.25005 53.94975 16.20277 0.305 21.72301 S ? A ? 41 SG 1
   ATOM 367 N . ARG A 58 ? 13.51668 55.24464 19.91507 1.000 19.15016 N ? A ? 42 N 1
   ATOM 368 CA . ARG A 58 ? 12.12659 55.68376 19.84302 1.000 18.27454 C ? A ? 42 CA 1
   ATOM 369 C . ARG A 58 ? 11.98746 57.12739 19.42994 1.000 18.61208 C ? A ? 42 C 1
   ATOM 370 O . ARG A 58 ? 10.85547 57.53000 19.16293 1.000 20.37192 O ? A ? 42 O 1
   ATOM 371 CB . ARG A 58 ? 11.44905 55.52247 21.22504 1.000 17.99812 C ? A ? 42 CB 1
   ATOM 372 CG . ARG A 58 ? 11.99514 56.47833 22.29741 1.000 18.59484 C ? A ? 42 CG 1
   ATOM 373 CD . ARG A 58 ? 11.16558 56.36858 23.63297 1.000 21.19286 C ? A ? 42 CD 1
   ATOM 374 NE . ARG A 58 ? 11.35808 55.06992 24.26701 1.000 20.02130 N ? A ? 42 NE 1
   ATOM 375 CZ . ARG A 58 ? 12.37126 54.79040 25.08394 1.000 18.91696 C ? A ? 42 CZ 1
   ATOM 376 NH1 . ARG A 58 ? 13.30280 55.69810 25.36221 1.000 20.58941 N ? A ? 42 NH1 1
   ATOM 377 NH2 . ARG A 58 ? 12.45799 53.56899 25.61462 1.000 21.26928 N ? A ? 42 NH2 1
   ATOM 378 N . PHE A 59 ? 13.08252 57.91132 19.31790 1.000 18.99833 N ? A ? 43 N 1
   ATOM 379 CA . PHE A 59 ? 12.98721 59.26043 18.77649 1.000 20.07834 C ? A ? 43 CA 1
   ATOM 380 C . PHE A 59 ? 12.42162 59.26487 17.35605 1.000 19.62395 C ? A ? 43 C 1
   ATOM 381 O . PHE A 59 ? 11.97522 60.32014 16.88488 1.000 23.05615 O ? A ? 43 O 1
   ATOM 382 CB . PHE A 59 ? 14.35075 60.02016 18.83557 1.000 21.84672 C ? A ? 43 CB 1
   ATOM 383 CG . PHE A 59 ? 15.46773 59.37016 18.03972 1.000 22.36530 C ? A ? 43 CG 1
   ATOM 384 CD1 . PHE A 59 ? 15.57313 59.56069 16.65600 1.000 23.40011 C ? A ? 43 CD1 1
   ATOM 385 CD2 . PHE A 59 ? 16.42508 58.60139 18.68071 1.000 23.96296 C ? A ? 43 CD2 1
   ATOM 386 CE1 . PHE A 59 ? 16.61171 58.92921 15.96569 1.000 25.57715 C ? A ? 43 CE1 1
   ATOM 387 CE2 . PHE A 59 ? 17.44281 57.97019 18.00868 1.000 22.56259 C ? A ? 43 CE2 1
   ATOM 388 CZ . PHE A 59 ? 17.50996 58.11568 16.62818 1.000 21.69714 C ? A ? 43 CZ 1
   ATOM 389 N . LEU A 60 ? 12.44085 58.13261 16.65833 1.000 18.64327 N ? A ? 44 N 1
   ATOM 390 CA . LEU A 60 ? 11.89537 58.07436 15.29862 1.000 20.00652 C ? A ? 44 CA 1
   ATOM 391 C . LEU A 60 ? 10.37727 57.99017 15.28032 1.000 18.70567 C ? A ? 44 C 1
   ATOM 392 O . LEU A 60 ? 9.78446 58.14624 14.21624 1.000 19.66596 O ? A ? 44 O 1
   ATOM 393 CB . LEU A 60 ? 12.46599 56.86518 14.61262 1.000 21.14170 C ? A ? 44 CB 1
   ATOM 394 CG . LEU A 60 ? 13.96464 57.00324 14.28142 1.000 21.19994 C ? A ? 44 CG 1
   ATOM 395 CD1 . LEU A 60 ? 14.43099 55.72242 13.64835 1.000 28.39459 C ? A ? 44 CD1 1
   ATOM 396 CD2 . LEU A 60 ? 14.28555 58.20146 13.37787 1.000 22.73628 C ? A ? 44 CD2 1
   ATOM 397 N . GLN A 61 ? 9.71793 57.81927 16.43162 1.000 19.65578 N ? A ? 45 N 1
   ATOM 398 CA . GLN A 61 ? 8.27157 57.61867 16.45858 1.000 21.46247 C ? A ? 45 CA 1
   ATOM 399 C . GLN A 61 ? 7.55122 58.95411 16.60573 1.000 21.17097 C ? A ? 45 C 1
   ATOM 400 O . GLN A 61 ? 8.15802 59.99151 16.91052 1.000 25.16839 O ? A ? 45 O 1
   ATOM 401 CB . GLN A 61 ? 7.90348 56.71524 17.64611 1.000 18.76337 C ? A ? 45 CB 1
   ATOM 402 CG . GLN A 61 ? 8.56714 55.35542 17.43411 1.000 20.36570 C ? A ? 45 CG 1
   ATOM 403 CD . GLN A 61 ? 8.51948 54.46847 18.64366 1.000 20.31032 C ? A ? 45 CD 1
   ATOM 404 OE1 . GLN A 61 ? 7.81536 54.80149 19.65532 1.000 22.55476 O ? A ? 45 OE1 1
   ATOM 405 NE2 . GLN A 61 ? 9.27862 53.36268 18.64399 1.000 20.66798 N ? A ? 45 NE2 1
   ATOM 406 N . GLY A 62 ? 6.24103 58.89653 16.37195 1.000 22.55444 N ? A ? 46 N 1
   ATOM 407 CA . GLY A 62 ? 5.42973 60.10138 16.46777 1.000 29.33449 C ? A ? 46 CA 1
   ATOM 408 C . GLY A 62 ? 3.94838 59.79578 16.50246 1.000 23.54678 C ? A ? 46 C 1
   ATOM 409 O . GLY A 62 ? 3.53349 58.67856 16.80732 1.000 26.38422 O ? A ? 46 O 1
   ATOM 410 N . GLU A 63 ? 3.16613 60.80144 16.07728 1.000 29.77386 N ? A ? 47 N 1
   ATOM 411 CA . GLU A 63 ? 1.73083 60.83376 16.36802 1.000 41.65201 C ? A ? 47 CA 1
   ATOM 412 C . GLU A 63 ? 1.01215 59.59728 15.85210 1.000 37.84886 C ? A ? 47 C 1
   ATOM 413 O . GLU A 63 ? 0.15808 59.02508 16.55160 1.000 39.60991 O ? A ? 47 O 1
   ATOM 414 CB . GLU A 63 ? 1.09387 62.10233 15.78487 1.000 54.73698 C ? A ? 47 CB 1
   ATOM 415 CG . GLU A 63 ? -0.36663 62.27730 16.20699 1.000 104.86612 C ? A ? 47 CG 1
   ATOM 416 CD . GLU A 63 ? -0.98807 63.58032 15.77046 1.000 92.56010 C ? A ? 47 CD 1
   ATOM 417 OE1 . GLU A 63 ? -0.96616 64.56335 16.55919 1.000 100.61518 O ? A ? 47 OE1 1
   ATOM 418 OE2 . GLU A 63 ? -1.52322 63.58579 14.64051 1.000 67.67950 O ? A ? 47 OE2 1
   ATOM 419 N . GLY A 64 ? 1.33055 59.16007 14.65484 1.000 29.30584 N ? A ? 48 N 1
   ATOM 420 CA . GLY A 64 ? 0.63785 57.99911 14.15140 1.000 32.93724 C ? A ? 48 CA 1
   ATOM 421 C . GLY A 64 ? 1.31633 56.65629 14.31946 1.000 27.61853 C ? A ? 48 C 1
   ATOM 422 O . GLY A 64 ? 0.87175 55.69003 13.71307 1.000 29.35559 O ? A ? 48 O 1
   ATOM 423 N . THR A 65 ? 2.38965 56.54452 15.11730 1.000 24.08831 N ? A ? 49 N 1
   ATOM 424 CA . THR A 65 ? 3.01775 55.24216 15.29020 1.000 24.89114 C ? A ? 49 CA 1
   ATOM 425 C . THR A 65 ? 2.08791 54.33345 16.08142 1.000 24.32548 C ? A ? 49 C 1
   ATOM 426 O . THR A 65 ? 1.60226 54.72100 17.16013 1.000 28.30083 O ? A ? 49 O 1
   ATOM 427 CB . THR A 65 ? 4.36742 55.42765 16.00757 1.000 22.69011 C ? A ? 49 CB 1
   ATOM 428 OG1 . THR A 65 ? 5.16590 56.41360 15.31539 1.000 21.77587 O ? A ? 49 OG1 1
   ATOM 429 CG2 . THR A 65 ? 5.11667 54.09076 16.15466 1.000 22.61293 C ? A ? 49 CG2 1
   ATOM 430 N . ASP A 66 ? 1.87523 53.13753 15.58774 1.000 27.18752 N ? A ? 50 N 1
   ATOM 431 CA . ASP A 66 ? 0.92770 52.23825 16.25081 1.000 29.37017 C ? A ? 50 CA 1
   ATOM 432 C . ASP A 66 ? 1.45995 51.76348 17.59287 1.000 29.11026 C ? A ? 50 C 1
   ATOM 433 O . ASP A 66 ? 2.41574 50.97148 17.62742 1.000 28.66167 O ? A ? 50 O 1
   ATOM 434 CB . ASP A 66 ? 0.64740 51.06877 15.35178 1.000 27.26768 C ? A ? 50 CB 1
   ATOM 435 CG . ASP A 66 ? -0.40721 50.14538 15.90458 1.000 31.61117 C ? A ? 50 CG 1
   ATOM 436 OD1 . ASP A 66 ? -0.82119 50.32856 17.06678 1.000 32.36586 O ? A ? 50 OD1 1
   ATOM 437 OD2 . ASP A 66 ? -0.77368 49.22813 15.15221 1.000 33.23777 O ? A ? 50 OD2 1
   ATOM 438 N . PRO A 67 ? 0.83909 52.13294 18.71135 1.000 29.82266 N ? A ? 51 N 1
   ATOM 439 CA . PRO A 67 ? 1.33673 51.65108 20.00300 1.000 28.00234 C ? A ? 51 CA 1
   ATOM 440 C . PRO A 67 ? 1.29327 50.14105 20.16679 1.000 27.26025 C ? A ? 51 C 1
   ATOM 441 O . PRO A 67 ? 2.05036 49.61457 20.98742 1.000 27.60840 O ? A ? 51 O 1
   ATOM 442 CB . PRO A 67 ? 0.42415 52.35921 21.02561 1.000 31.84345 C ? A ? 51 CB 1
   ATOM 443 CG . PRO A 67 ? -0.81558 52.65054 20.26520 1.000 37.21664 C ? A ? 51 CG 1
   ATOM 444 CD . PRO A 67 ? -0.35521 52.98582 18.85611 1.000 33.71263 C ? A ? 51 CD 1
   ATOM 445 N . LYS A 68 ? 0.43953 49.42370 19.45514 1.000 28.62666 N ? A ? 52 N 1
   ATOM 446 CA . LYS A 68 ? 0.44874 47.97418 19.55954 1.000 30.58424 C ? A ? 52 CA 1
   ATOM 447 C . LYS A 68 ? 1.71326 47.35695 18.95720 1.000 29.36249 C ? A ? 52 C 1
   ATOM 448 O . LYS A 68 ? 2.24491 46.38149 19.50606 1.000 31.77141 O ? A ? 52 O 1
   ATOM 449 CB . LYS A 68 ? -0.80722 47.39280 18.91870 1.000 40.82331 C ? A ? 52 CB 1
   ATOM 450 CG . LYS A 68 ? -0.85334 45.89028 19.00180 1.000 50.38757 C ? A ? 52 CG 1
   ATOM 451 CD . LYS A 68 ? -1.79645 45.29404 17.97986 1.000 80.43071 C ? A ? 52 CD 1
   ATOM 452 CE . LYS A 68 ? -1.82270 43.77531 18.09233 1.000 90.20121 C ? A ? 52 CE 1
   ATOM 453 NZ . LYS A 68 ? -2.20814 43.32734 19.46526 1.000 76.65755 N ? A ? 52 NZ 1
   ATOM 454 N . GLU A 69 ? 2.21352 47.90825 17.84366 1.000 28.17724 N ? A ? 53 N 1
   ATOM 455 CA . GLU A 69 ? 3.48076 47.45478 17.26830 1.000 26.47592 C ? A ? 53 CA 1
   ATOM 456 C . GLU A 69 ? 4.64937 47.83449 18.17029 1.000 25.16748 C ? A ? 53 C 1
   ATOM 457 O . GLU A 69 ? 5.56831 47.02779 18.36347 1.000 25.65376 O ? A ? 53 O 1
   ATOM 458 CB . GLU A 69 ? 3.67887 48.04288 15.85679 1.000 28.64475 C ? A ? 53 CB 1
   ATOM 459 CG . GLU A 69 ? 2.76423 47.47572 14.81076 1.000 34.13180 C ? A ? 53 CG 1
   ATOM 460 CD . GLU A 69 ? 3.16067 46.06516 14.41741 1.000 41.54331 C ? A ? 53 CD 1
   ATOM 461 OE1 . GLU A 69 ? 4.06571 45.84969 13.55678 1.000 39.25662 O ? A ? 53 OE1 1
   ATOM 462 OE2 . GLU A 69 ? 2.55666 45.14836 14.96761 1.000 34.91215 O ? A ? 53 OE2 1
   ATOM 463 N . VAL A 70 ? 4.62945 49.05108 18.72729 1.000 23.85500 N ? A ? 54 N 1
   ATOM 464 CA . VAL A 70 ? 5.65054 49.47360 19.67526 1.000 22.26550 C ? A ? 54 CA 1
   ATOM 465 C . VAL A 70 ? 5.68589 48.51783 20.87323 1.000 27.30304 C ? A ? 54 C 1
   ATOM 466 O . VAL A 70 ? 6.75339 48.08847 21.32565 1.000 25.90320 O ? A ? 54 O 1
   ATOM 467 CB . VAL A 70 ? 5.41647 50.93489 20.12091 1.000 22.45432 C ? A ? 54 CB 1
   ATOM 468 CG1 . VAL A 70 ? 6.32478 51.29368 21.28607 1.000 24.47813 C ? A ? 54 CG1 1
   ATOM 469 CG2 . VAL A 70 ? 5.63482 51.93898 18.97718 1.000 25.67615 C ? A ? 54 CG2 1
   ATOM 470 N . GLN A 71 ? 4.51737 48.13727 21.38008 1.000 26.65783 N ? A ? 55 N 1
   ATOM 471 CA . GLN A 71 ? 4.48072 47.22910 22.52845 1.000 26.91493 C ? A ? 55 CA 1
   ATOM 472 C . GLN A 71 ? 5.07052 45.86708 22.17167 1.000 26.39066 C ? A ? 55 C 1
   ATOM 473 O . GLN A 71 ? 5.72772 45.23641 23.00154 1.000 29.21540 O ? A ? 55 O 1
   ATOM 474 CB . GLN A 71 ? 3.02572 47.06337 22.97388 1.000 28.26701 C ? A ? 55 CB 1
   ATOM 475 CG . GLN A 71 ? 2.85540 45.96851 24.03888 1.000 39.09244 C ? A ? 55 CG 1
   ATOM 476 CD . GLN A 71 ? 1.40419 45.64033 24.35259 1.000 79.09161 C ? A ? 55 CD 1
   ATOM 477 OE1 . GLN A 71 ? 0.51875 45.72951 23.49412 1.000 86.74694 O ? A ? 55 OE1 1
   ATOM 478 NE2 . GLN A 71 ? 1.15674 45.24901 25.60154 1.000 74.05554 N ? A ? 55 NE2 1
   ATOM 479 N A LYS A 72 ? 4.81198 45.38974 20.96088 0.707 28.01851 N ? A ? 56 N 1
   ATOM 480 CA A LYS A 72 ? 5.39436 44.14700 20.47497 0.707 27.51870 C ? A ? 56 CA 1
   ATOM 481 C A LYS A 72 ? 6.92082 44.16539 20.58035 0.707 29.30508 C ? A ? 56 C 1
   ATOM 482 O A LYS A 72 ? 7.54199 43.20414 21.06762 0.707 28.94768 O ? A ? 56 O 1
   ATOM 483 CB A LYS A 72 ? 4.96944 43.97176 19.02610 0.707 31.38972 C ? A ? 56 CB 1
   ATOM 484 CG A LYS A 72 ? 4.84267 42.56410 18.56647 0.707 36.41483 C ? A ? 56 CG 1
   ATOM 485 CD A LYS A 72 ? 4.10845 42.52570 17.21643 0.707 38.80999 C ? A ? 56 CD 1
   ATOM 486 CE A LYS A 72 ? 2.63933 42.93012 17.28433 0.707 46.53796 C ? A ? 56 CE 1
   ATOM 487 NZ A LYS A 72 ? 1.99638 42.57399 15.98468 0.707 46.30297 N ? A ? 56 NZ 1
   ATOM 488 N B LYS A 72 ? 4.84640 45.40001 20.94101 0.293 28.42839 N ? A ? 56 N 1
   ATOM 489 CA B LYS A 72 ? 5.45207 44.15095 20.48621 0.293 27.69753 C ? A ? 56 CA 1
   ATOM 490 C B LYS A 72 ? 6.97295 44.20962 20.57746 0.293 29.39106 C ? A ? 56 C 1
   ATOM 491 O B LYS A 72 ? 7.61005 43.29330 21.11865 0.293 28.79428 O ? A ? 56 O 1
   ATOM 492 CB B LYS A 72 ? 5.01863 43.84194 19.05574 0.293 31.30912 C ? A ? 56 CB 1
   ATOM 493 CG B LYS A 72 ? 3.53868 43.57668 18.90381 0.293 26.60319 C ? A ? 56 CG 1
   ATOM 494 CD B LYS A 72 ? 3.12510 42.24896 19.50639 0.293 40.67107 C ? A ? 56 CD 1
   ATOM 495 CE B LYS A 72 ? 3.67377 41.06640 18.71713 0.293 57.01001 C ? A ? 56 CE 1
   ATOM 496 NZ B LYS A 72 ? 3.00922 39.79028 19.12654 0.293 44.50499 N ? A ? 56 NZ 1
   ATOM 497 N A ILE A 73 ? 7.55674 45.24789 20.12310 0.707 24.32426 N ? A ? 57 N 1
   ATOM 498 CA A ILE A 73 ? 9.01661 45.27423 20.21072 0.707 23.80740 C ? A ? 57 CA 1
   ATOM 499 C A ILE A 73 ? 9.48237 45.47688 21.65329 0.707 27.21111 C ? A ? 57 C 1
   ATOM 500 O A ILE A 73 ? 10.48174 44.88696 22.07990 0.707 25.29319 O ? A ? 57 O 1
   ATOM 501 CB A ILE A 73 ? 9.65126 46.25986 19.20174 0.707 25.42492 C ? A ? 57 CB 1
   ATOM 502 CG1 A ILE A 73 ? 8.96762 47.60587 19.29341 0.707 25.72193 C ? A ? 57 CG1 1
   ATOM 503 CG2 A ILE A 73 ? 9.65851 45.72083 17.75096 0.707 40.16238 C ? A ? 57 CG2 1
   ATOM 504 CD1 A ILE A 73 ? 9.44080 48.59344 18.26135 0.707 48.45815 C ? A ? 57 CD1 1
   ATOM 505 N B ILE A 73 ? 7.58119 45.28004 20.05304 0.293 24.21130 N ? A ? 57 N 1
   ATOM 506 CA B ILE A 73 ? 9.02913 45.42217 20.20374 0.293 23.70149 C ? A ? 57 CA 1
   ATOM 507 C B ILE A 73 ? 9.40329 45.41254 21.66519 0.293 27.11512 C ? A ? 57 C 1
   ATOM 508 O B ILE A 73 ? 10.29578 44.66830 22.09019 0.293 25.53852 O ? A ? 57 O 1
   ATOM 509 CB B ILE A 73 ? 9.55034 46.71291 19.56059 0.293 23.71311 C ? A ? 57 CB 1
   ATOM 510 CG1 B ILE A 73 ? 9.18084 46.80313 18.10083 0.293 19.40561 C ? A ? 57 CG1 1
   ATOM 511 CG2 B ILE A 73 ? 11.07287 46.76147 19.70444 0.293 15.85937 C ? A ? 57 CG2 1
   ATOM 512 CD1 B ILE A 73 ? 9.47819 48.15714 17.59633 0.293 29.28338 C ? A ? 57 CD1 1
   ATOM 513 N . ARG A 74 ? 8.76027 46.29117 22.44370 1.000 24.42961 N ? A ? 58 N 1
   ATOM 514 CA . ARG A 74 ? 9.11190 46.42579 23.84896 1.000 26.24595 C ? A ? 58 CA 1
   ATOM 515 C . ARG A 74 ? 9.09614 45.08131 24.55230 1.000 24.50495 C ? A ? 58 C 1
   ATOM 516 O . ARG A 74 ? 10.02811 44.76738 25.30579 1.000 25.64903 O ? A ? 58 O 1
   ATOM 517 CB . ARG A 74 ? 8.10441 47.34540 24.54496 1.000 25.54812 C ? A ? 58 CB 1
   ATOM 518 CG . ARG A 74 ? 8.47179 47.66444 25.96659 1.000 31.61693 C ? A ? 58 CG 1
   ATOM 519 CD . ARG A 74 ? 7.55296 48.81479 26.49593 1.000 37.15834 C ? A ? 58 CD 1
   ATOM 520 NE . ARG A 74 ? 6.14664 48.43825 26.45765 1.000 41.49221 N ? A ? 58 NE 1
   ATOM 521 CZ . ARG A 74 ? 5.19921 48.97344 25.69234 1.000 77.24916 C ? A ? 58 CZ 1
   ATOM 522 NH1 . ARG A 74 ? 5.45385 49.96021 24.82790 1.000 36.31546 N ? A ? 58 NH1 1
   ATOM 523 NH2 . ARG A 74 ? 3.95486 48.51235 25.80642 1.000 36.79248 N ? A ? 58 NH2 1
   ATOM 524 N . ASP A 75 ? 8.07996 44.26186 24.27337 1.000 28.64400 N ? A ? 59 N 1
   ATOM 525 CA . ASP A 75 ? 7.95137 42.96146 24.92673 1.000 35.27784 C ? A ? 59 CA 1
   ATOM 526 C . ASP A 75 ? 9.04232 41.99728 24.46507 1.000 33.94038 C ? A ? 59 C 1
   ATOM 527 O . ASP A 75 ? 9.56142 41.21441 25.27675 1.000 32.82775 O ? A ? 59 O 1
   ATOM 528 CB . ASP A 75 ? 6.55726 42.35748 24.65495 1.000 32.30961 C ? A ? 59 CB 1
   ATOM 529 CG . ASP A 75 ? 5.41646 43.06113 25.42244 1.000 37.00455 C ? A ? 59 CG 1
   ATOM 530 OD1 . ASP A 75 ? 5.66460 43.88288 26.33288 1.000 38.64240 O ? A ? 59 OD1 1
   ATOM 531 OD2 . ASP A 75 ? 4.24648 42.79584 25.07776 1.000 46.25174 O ? A ? 59 OD2 1
   ATOM 532 N . ALA A 76 ? 9.39836 42.02636 23.17187 1.000 28.38772 N ? A ? 60 N 1
   ATOM 533 CA . ALA A 76 ? 10.47184 41.15695 22.67558 1.000 28.39054 C ? A ? 60 CA 1
   ATOM 534 C . ALA A 76 ? 11.81015 41.52363 23.30832 1.000 27.10272 C ? A ? 60 C 1
   ATOM 535 O . ALA A 76 ? 12.58510 40.64670 23.72509 1.000 28.13998 O ? A ? 60 O 1
   ATOM 536 CB . ALA A 76 ? 10.56896 41.22932 21.14492 1.000 28.87304 C ? A ? 60 CB 1
   ATOM 537 N . ILE A 77 ? 12.08869 42.81156 23.43027 1.000 24.44388 N ? A ? 61 N 1
   ATOM 538 CA . ILE A 77 ? 13.33469 43.22750 24.03559 1.000 27.27541 C ? A ? 61 CA 1
   ATOM 539 C . ILE A 77 ? 13.38704 42.73959 25.46829 1.000 30.29009 C ? A ? 61 C 1
   ATOM 540 O . ILE A 77 ? 14.40031 42.19494 25.93125 1.000 29.32934 O ? A ? 61 O 1
   ATOM 541 CB . ILE A 77 ? 13.50851 44.75938 23.91003 1.000 28.33259 C ? A ? 61 CB 1
   ATOM 542 CG1 . ILE A 77 ? 13.77497 45.16939 22.45954 1.000 29.76987 C ? A ? 61 CG1 1
   ATOM 543 CG2 . ILE A 77 ? 14.61860 45.21862 24.80210 1.000 33.59944 C ? A ? 61 CG2 1
   ATOM 544 CD1 . ILE A 77 ? 13.59575 46.67426 22.26187 1.000 31.84376 C ? A ? 61 CD1 1
   ATOM 545 N . LYS A 78 ? 12.27304 42.87242 26.18698 1.000 27.89795 N ? A ? 62 N 1
   ATOM 546 CA . LYS A 78 ? 12.29482 42.44726 27.58721 1.000 28.40183 C ? A ? 62 CA 1
   ATOM 547 C . LYS A 78 ? 12.53142 40.95833 27.72758 1.000 29.43513 C ? A ? 62 C 1
   ATOM 548 O . LYS A 78 ? 13.18267 40.54206 28.70737 1.000 33.36034 O ? A ? 62 O 1
   ATOM 549 CB . LYS A 78 ? 10.98816 42.82812 28.26997 1.000 33.21472 C ? A ? 62 CB 1
   ATOM 550 CG . LYS A 78 ? 10.88492 44.28404 28.51960 1.000 44.65830 C ? A ? 62 CG 1
   ATOM 551 CD . LYS A 78 ? 9.46437 44.58906 28.82334 1.000 91.76642 C ? A ? 62 CD 1
   ATOM 552 CE . LYS A 78 ? 9.31478 45.91062 29.49730 1.000 82.97164 C ? A ? 62 CE 1
   ATOM 553 NZ . LYS A 78 ? 7.94209 46.12946 30.03457 1.000 73.44322 N ? A ? 62 NZ 1
   ATOM 554 N . LYS A 79 ? 12.04580 40.15957 26.80045 1.000 28.37780 N ? A ? 63 N 1
   ATOM 555 CA . LYS A 79 ? 12.20934 38.70883 26.77233 1.000 27.72503 C ? A ? 63 CA 1
   ATOM 556 C . LYS A 79 ? 13.50543 38.24368 26.11378 1.000 33.40226 C ? A ? 63 C 1
   ATOM 557 O . LYS A 79 ? 13.77384 37.03203 26.08002 1.000 32.71272 O ? A ? 63 O 1
   ATOM 558 CB . LYS A 79 ? 11.03560 38.05546 26.04847 1.000 32.08356 C ? A ? 63 CB 1
   ATOM 559 CG . LYS A 79 ? 9.75378 37.98253 26.86094 1.000 51.99216 C ? A ? 63 CG 1
   ATOM 560 CD . LYS A 79 ? 8.53473 37.72386 25.97309 1.000 56.78709 C ? A ? 63 CD 1
   ATOM 561 CE . LYS A 79 ? 7.32866 38.34604 26.67779 1.000 96.51489 C ? A ? 63 CE 1
   ATOM 562 NZ . LYS A 79 ? 7.78466 39.68532 27.26758 1.000 96.95075 N ? A ? 63 NZ 1
   ATOM 563 N A GLY A 80 ? 14.29731 39.15806 25.56450 0.765 31.28789 N ? A ? 64 N 1
   ATOM 564 CA A GLY A 80 ? 15.49907 38.75127 24.85247 0.765 31.84901 C ? A ? 64 CA 1
   ATOM 565 C A GLY A 80 ? 15.23224 37.98491 23.57671 0.765 27.50678 C ? A ? 64 C 1
   ATOM 566 O A GLY A 80 ? 15.97172 37.04008 23.24581 0.765 30.42778 O ? A ? 64 O 1
   ATOM 567 N B GLY A 80 ? 14.28931 39.15090 25.54210 0.235 31.20866 N ? A ? 64 N 1
   ATOM 568 CA B GLY A 80 ? 15.46934 38.74163 24.79457 0.235 31.51892 C ? A ? 64 CA 1
   ATOM 569 C B GLY A 80 ? 15.16507 37.96637 23.53012 0.235 28.10421 C ? A ? 64 C 1
   ATOM 570 O B GLY A 80 ? 15.90344 37.03322 23.18284 0.235 30.26043 O ? A ? 64 O 1
   ATOM 571 N A GLU A 81 ? 14.19945 38.37217 22.81381 0.765 25.14248 N ? A ? 65 N 1
   ATOM 572 CA A GLU A 81 ? 13.82061 37.65714 21.61602 0.765 26.23423 C ? A ? 65 CA 1
   ATOM 573 C A GLU A 81 ? 13.86688 38.59161 20.40988 0.765 26.19538 C ? A ? 65 C 1
   ATOM 574 O A GLU A 81 ? 13.78300 39.81429 20.55405 0.765 27.59783 O ? A ? 65 O 1
   ATOM 575 CB A GLU A 81 ? 12.39308 37.09242 21.70140 0.765 32.27528 C ? A ? 65 CB 1
   ATOM 576 CG A GLU A 81 ? 12.13013 36.26798 22.96662 0.765 39.36127 C ? A ? 65 CG 1
   ATOM 577 CD A GLU A 81 ? 10.68691 35.78052 23.03978 0.765 44.91869 C ? A ? 65 CD 1
   ATOM 578 OE1 A GLU A 81 ? 9.80327 36.41010 22.40867 0.765 46.55412 O ? A ? 65 OE1 1
   ATOM 579 OE2 A GLU A 81 ? 10.44782 34.76815 23.73207 0.765 53.62837 O ? A ? 65 OE2 1
   ATOM 580 N B GLU A 81 ? 14.09628 38.33019 22.82174 0.235 25.45918 N ? A ? 65 N 1
   ATOM 581 CA B GLU A 81 ? 13.68343 37.64225 21.61206 0.235 27.27858 C ? A ? 65 CA 1
   ATOM 582 C B GLU A 81 ? 13.75867 38.58847 20.42102 0.235 26.27768 C ? A ? 65 C 1
   ATOM 583 O B GLU A 81 ? 13.74456 39.81343 20.57208 0.235 27.77484 O ? A ? 65 O 1
   ATOM 584 CB B GLU A 81 ? 12.24563 37.11013 21.72200 0.235 32.48654 C ? A ? 65 CB 1
   ATOM 585 CG B GLU A 81 ? 12.10364 35.81899 22.52037 0.235 44.41430 C ? A ? 65 CG 1
   ATOM 586 CD B GLU A 81 ? 11.69289 34.63373 21.65828 0.235 53.82052 C ? A ? 65 CD 1
   ATOM 587 OE1 B GLU A 81 ? 12.52849 34.13143 20.88342 0.235 43.59785 O ? A ? 65 OE1 1
   ATOM 588 OE2 B GLU A 81 ? 10.52803 34.19876 21.75500 0.235 54.76275 O ? A ? 65 OE2 1
   ATOM 589 N A ALA A 82 ? 14.00531 37.99528 19.24024 0.765 26.14711 N ? A ? 66 N 1
   ATOM 590 CA A ALA A 82 ? 13.90545 38.74690 17.99571 0.765 25.22215 C ? A ? 66 CA 1
   ATOM 591 C A ALA A 82 ? 12.45547 39.16136 17.74339 0.765 27.67407 C ? A ? 66 C 1
   ATOM 592 O A ALA A 82 ? 11.51708 38.56440 18.28090 0.765 31.09933 O ? A ? 66 O 1
   ATOM 593 CB A ALA A 82 ? 14.33724 37.87784 16.82551 0.765 26.10002 C ? A ? 66 CB 1
   ATOM 594 N B ALA A 82 ? 13.83316 37.99735 19.23539 0.235 26.73684 N ? A ? 66 N 1
   ATOM 595 CA B ALA A 82 ? 13.79935 38.75804 17.99773 0.235 25.60862 C ? A ? 66 CA 1
   ATOM 596 C B ALA A 82 ? 12.35945 39.04892 17.58470 0.235 27.95455 C ? A ? 66 C 1
   ATOM 597 O B ALA A 82 ? 11.42916 38.30490 17.90822 0.235 24.61054 O ? A ? 66 O 1
   ATOM 598 CB B ALA A 82 ? 14.47563 37.97786 16.87622 0.235 26.16929 C ? A ? 66 CB 1
   ATOM 599 N A CYS A 83 ? 12.26696 40.16124 16.88255 0.765 25.64268 N ? A ? 67 N 1
   ATOM 600 CA A CYS A 83 ? 10.92428 40.62311 16.55178 0.765 24.55563 C ? A ? 67 CA 1
   ATOM 601 C A CYS A 83 ? 10.99307 41.37800 15.24006 0.765 24.13353 C ? A ? 67 C 1
   ATOM 602 O A CYS A 83 ? 12.01398 41.99923 14.92876 0.765 28.91666 O ? A ? 67 O 1
   ATOM 603 CB A CYS A 83 ? 10.42103 41.54547 17.66786 0.765 28.68228 C ? A ? 67 CB 1
   ATOM 604 SG A CYS A 83 ? 8.71083 42.06600 17.54808 0.765 34.62303 S ? A ? 67 SG 1
   ATOM 605 N B CYS A 83 ? 12.18221 40.13100 16.83080 0.235 26.09023 N ? A ? 67 N 1
   ATOM 606 CA B CYS A 83 ? 10.84267 40.51332 16.41055 0.235 25.01005 C ? A ? 67 CA 1
   ATOM 607 C B CYS A 83 ? 10.93736 41.36651 15.15962 0.235 24.28438 C ? A ? 67 C 1
   ATOM 608 O B CYS A 83 ? 11.91013 42.10126 14.96824 0.235 28.12341 O ? A ? 67 O 1
   ATOM 609 CB B CYS A 83 ? 10.13987 41.31176 17.50988 0.235 27.15030 C ? A ? 67 CB 1
   ATOM 610 SG B CYS A 83 ? 10.74435 43.01577 17.68520 0.235 20.52269 S ? A ? 67 SG 1
   ATOM 611 N A SER A 84 ? 9.91939 41.31279 14.45982 0.765 24.39167 N ? A ? 68 N 1
   ATOM 612 CA A SER A 84 ? 9.80763 42.11411 13.25886 0.765 27.14447 C ? A ? 68 CA 1
   ATOM 613 C A SER A 84 ? 8.48387 42.87187 13.32056 0.765 27.41013 C ? A ? 68 C 1
   ATOM 614 O A SER A 84 ? 7.44849 42.27887 13.63150 0.765 28.75432 O ? A ? 68 O 1
   ATOM 615 CB A SER A 84 ? 9.83797 41.22641 12.01268 0.765 29.99494 C ? A ? 68 CB 1
   ATOM 616 OG A SER A 84 ? 9.99441 42.01492 10.84861 0.765 38.49559 O ? A ? 68 OG 1
   ATOM 617 N B SER A 84 ? 9.90692 41.27769 14.32253 0.235 24.27097 N ? A ? 68 N 1
   ATOM 618 CA B SER A 84 ? 9.78120 42.09893 13.13040 0.235 27.36978 C ? A ? 68 CA 1
   ATOM 619 C B SER A 84 ? 8.46059 42.85094 13.19795 0.235 27.17983 C ? A ? 68 C 1
   ATOM 620 O B SER A 84 ? 7.40565 42.24067 13.39559 0.235 27.62823 O ? A ? 68 O 1
   ATOM 621 CB B SER A 84 ? 9.82052 41.22234 11.88167 0.235 29.17654 C ? A ? 68 CB 1
   ATOM 622 OG B SER A 84 ? 11.03867 40.50762 11.84437 0.235 25.81689 O ? A ? 68 OG 1
   ATOM 623 N . VAL A 85 ? 8.51899 44.17343 13.04500 1.000 23.48253 N ? A ? 69 N 1
   ATOM 624 CA . VAL A 85 ? 7.32522 45.01401 13.09411 1.000 26.02150 C ? A ? 69 CA 1
   ATOM 625 C . VAL A 85 ? 7.36495 46.02612 11.96652 1.000 26.17828 C ? A ? 69 C 1
   ATOM 626 O . VAL A 85 ? 8.41202 46.30312 11.38208 1.000 25.10897 O ? A ? 69 O 1
   ATOM 627 CB . VAL A 85 ? 7.17984 45.79125 14.42520 1.000 25.81172 C ? A ? 69 CB 1
   ATOM 628 CG1 . VAL A 85 ? 6.91718 44.83798 15.62119 1.000 29.33880 C ? A ? 69 CG1 1
   ATOM 629 CG2 . VAL A 85 ? 8.42453 46.67844 14.65479 1.000 32.19611 C ? A ? 69 CG2 1
   ATOM 630 N A ARG A 86 ? 6.20329 46.58686 11.64807 0.872 27.80072 N ? A ? 70 N 1
   ATOM 631 CA A ARG A 86 ? 6.09822 47.66800 10.67459 0.872 24.69972 C ? A ? 70 CA 1
   ATOM 632 C A ARG A 86 ? 5.63238 48.92012 11.41761 0.872 28.32816 C ? A ? 70 C 1
   ATOM 633 O A ARG A 86 ? 4.59091 48.88506 12.08270 0.872 34.06619 O ? A ? 70 O 1
   ATOM 634 CB A ARG A 86 ? 5.13436 47.20738 9.55750 0.872 28.96418 C ? A ? 70 CB 1
   ATOM 635 CG A ARG A 86 ? 4.80078 48.16891 8.49888 0.872 33.63446 C ? A ? 70 CG 1
   ATOM 636 CD A ARG A 86 ? 3.77320 47.48649 7.53948 0.872 31.77883 C ? A ? 70 CD 1
   ATOM 637 NE A ARG A 86 ? 3.23467 48.52796 6.71184 0.872 36.07238 N ? A ? 70 NE 1
   ATOM 638 CZ A ARG A 86 ? 3.76814 48.86550 5.54803 0.872 35.10747 C ? A ? 70 CZ 1
   ATOM 639 NH1 A ARG A 86 ? 4.72900 48.13326 5.00657 0.872 39.78253 N ? A ? 70 NH1 1
   ATOM 640 NH2 A ARG A 86 ? 3.34779 49.97711 4.93080 0.872 29.92217 N ? A ? 70 NH2 1
   ATOM 641 N B ARG A 86 ? 6.19614 46.58528 11.66879 0.128 28.02216 N ? A ? 70 N 1
   ATOM 642 CA B ARG A 86 ? 6.04469 47.69371 10.73591 0.128 24.85290 C ? A ? 70 CA 1
   ATOM 643 C B ARG A 86 ? 5.66907 48.92402 11.54936 0.128 29.06798 C ? A ? 70 C 1
   ATOM 644 O B ARG A 86 ? 4.68398 48.90104 12.29261 0.128 32.28505 O ? A ? 70 O 1
   ATOM 645 CB B ARG A 86 ? 4.94146 47.38344 9.72573 0.128 30.13472 C ? A ? 70 CB 1
   ATOM 646 CG B ARG A 86 ? 5.40102 47.30094 8.29031 0.128 32.54716 C ? A ? 70 CG 1
   ATOM 647 CD B ARG A 86 ? 4.22085 46.96416 7.38857 0.128 36.13492 C ? A ? 70 CD 1
   ATOM 648 NE B ARG A 86 ? 4.24312 47.73496 6.15350 0.128 38.74130 N ? A ? 70 NE 1
   ATOM 649 CZ B ARG A 86 ? 3.81301 48.98413 6.06918 0.128 38.46741 C ? A ? 70 CZ 1
   ATOM 650 NH1 B ARG A 86 ? 3.36171 49.62328 7.13059 0.128 38.18873 N ? A ? 70 NH1 1
   ATOM 651 NH2 B ARG A 86 ? 3.83548 49.60468 4.89370 0.128 36.96609 N ? A ? 70 NH2 1
   ATOM 652 N . LEU A 87 ? 6.45415 49.98710 11.43072 1.000 24.53950 N ? A ? 71 N 1
   ATOM 653 CA . LEU A 87 ? 6.22704 51.19444 12.24323 1.000 25.88071 C ? A ? 71 CA 1
   ATOM 654 C . LEU A 87 ? 6.20262 52.43754 11.37995 1.000 25.19340 C ? A ? 71 C 1
   ATOM 655 O . LEU A 87 ? 7.08314 52.62931 10.54794 1.000 23.74834 O ? A ? 71 O 1
   ATOM 656 CB . LEU A 87 ? 7.32175 51.45935 13.34809 1.000 26.94992 C ? A ? 71 CB 1
   ATOM 657 CG . LEU A 87 ? 7.56852 50.37889 14.36779 1.000 32.09657 C ? A ? 71 CG 1
   ATOM 658 CD1 . LEU A 87 ? 8.93341 50.56116 15.10114 1.000 33.13655 C ? A ? 71 CD1 1
   ATOM 659 CD2 . LEU A 87 ? 6.47807 50.46849 15.41291 1.000 31.41187 C ? A ? 71 CD2 1
   ATOM 660 N . LEU A 88 ? 5.25313 53.33655 11.63796 1.000 22.05300 N ? A ? 72 N 1
   ATOM 661 CA . LEU A 88 ? 5.36440 54.66484 11.07906 1.000 22.08252 C ? A ? 72 CA 1
   ATOM 662 C . LEU A 88 ? 6.43145 55.42764 11.84033 1.000 18.87056 C ? A ? 72 C 1
   ATOM 663 O . LEU A 88 ? 6.40713 55.50012 13.07031 1.000 19.98724 O ? A ? 72 O 1
   ATOM 664 CB . LEU A 88 ? 4.02550 55.41319 11.15579 1.000 22.75930 C ? A ? 72 CB 1
   ATOM 665 CG . LEU A 88 ? 4.02587 56.77250 10.47115 1.000 23.55900 C ? A ? 72 CG 1
   ATOM 666 CD1 . LEU A 88 ? 4.21987 56.62169 8.97551 1.000 25.90595 C ? A ? 72 CD1 1
   ATOM 667 CD2 . LEU A 88 ? 2.67996 57.46674 10.72370 1.000 32.91576 C ? A ? 72 CD2 1
   ATOM 668 N . ASN A 89 ? 7.40344 55.97876 11.11948 1.000 19.17919 N ? A ? 73 N 1
   ATOM 669 CA . ASN A 89 ? 8.47948 56.75933 11.69886 1.000 18.57048 C ? A ? 73 CA 1
   ATOM 670 C . ASN A 89 ? 8.57765 58.11735 11.02381 1.000 17.79970 C ? A ? 73 C 1
   ATOM 671 O . ASN A 89 ? 7.92411 58.38265 10.00343 1.000 18.52578 O ? A ? 73 O 1
   ATOM 672 CB . ASN A 89 ? 9.86196 56.03523 11.60433 1.000 18.14601 C ? A ? 73 CB 1
   ATOM 673 CG . ASN A 89 ? 10.09816 55.00105 12.66782 1.000 18.26014 C ? A ? 73 CG 1
   ATOM 674 OD1 . ASN A 89 ? 9.31058 54.82629 13.68117 1.000 20.62555 O ? A ? 73 OD1 1
   ATOM 675 ND2 . ASN A 89 ? 11.17643 54.33162 12.58767 1.000 15.84633 N ? A ? 73 ND2 1
   ATOM 676 N . TYR A 90 ? 9.43878 59.00390 11.54307 1.000 18.99328 N ? A ? 74 N 1
   ATOM 677 CA . TYR A 90 ? 9.53446 60.37676 11.12064 1.000 16.98404 C ? A ? 74 CA 1
   ATOM 678 C . TYR A 90 ? 10.97530 60.79485 11.01164 1.000 21.18796 C ? A ? 74 C 1
   ATOM 679 O . TYR A 90 ? 11.76818 60.49291 11.91635 1.000 19.04338 O ? A ? 74 O 1
   ATOM 680 CB . TYR A 90 ? 8.77847 61.29027 12.10664 1.000 20.19605 C ? A ? 74 CB 1
   ATOM 681 CG . TYR A 90 ? 7.27775 61.03038 12.16259 1.000 20.52713 C ? A ? 74 CG 1
   ATOM 682 CD1 . TYR A 90 ? 6.78467 60.07024 13.00088 1.000 21.27532 C ? A ? 74 CD1 1
   ATOM 683 CD2 . TYR A 90 ? 6.38424 61.74344 11.34967 1.000 24.63264 C ? A ? 74 CD2 1
   ATOM 684 CE1 . TYR A 90 ? 5.40521 59.78951 13.11602 1.000 23.96987 C ? A ? 74 CE1 1
   ATOM 685 CE2 . TYR A 90 ? 4.98889 61.49107 11.45353 1.000 26.70811 C ? A ? 74 CE2 1
   ATOM 686 CZ . TYR A 90 ? 4.53226 60.51033 12.34748 1.000 28.97348 C ? A ? 74 CZ 1
   ATOM 687 OH . TYR A 90 ? 3.17823 60.19375 12.49561 1.000 32.74251 O ? A ? 74 OH 1
   ATOM 688 N . ARG A 91 ? 11.32379 61.44816 9.91591 1.000 18.41287 N ? A ? 75 N 1
   ATOM 689 CA . ARG A 91 ? 12.64694 62.00940 9.77059 1.000 18.63278 C ? A ? 75 CA 1
   ATOM 690 C . ARG A 91 ? 12.81274 63.23464 10.65483 1.000 19.74298 C ? A ? 75 C 1
   ATOM 691 O . ARG A 91 ? 11.84299 63.74263 11.24617 1.000 19.40037 O ? A ? 75 O 1
   ATOM 692 CB . ARG A 91 ? 12.85373 62.45952 8.31877 1.000 19.19390 C ? A ? 75 CB 1
   ATOM 693 CG . ARG A 91 ? 12.60811 61.35411 7.30371 1.000 18.41472 C ? A ? 75 CG 1
   ATOM 694 CD . ARG A 91 ? 12.93476 61.84640 5.91864 1.000 20.78370 C ? A ? 75 CD 1
   ATOM 695 NE . ARG A 91 ? 12.70511 60.82769 4.88504 1.000 21.43641 N ? A ? 75 NE 1
   ATOM 696 CZ . ARG A 91 ? 11.60149 60.74876 4.15130 1.000 21.60633 C ? A ? 75 CZ 1
   ATOM 697 NH1 . ARG A 91 ? 10.65406 61.64346 4.27166 1.000 21.38549 N ? A ? 75 NH1 1
   ATOM 698 NH2 . ARG A 91 ? 11.49547 59.79513 3.19945 1.000 21.26964 N ? A ? 75 NH2 1
   ATOM 699 N . LYS A 92 ? 14.05153 63.71045 10.75954 1.000 19.03023 N ? A ? 76 N 1
   ATOM 700 CA . LYS A 92 ? 14.32527 64.92272 11.53831 1.000 18.76554 C ? A ? 76 CA 1
   ATOM 701 C . LYS A 92 ? 13.43762 66.08833 11.13688 1.000 20.84232 C ? A ? 76 C 1
   ATOM 702 O . LYS A 92 ? 13.00172 66.86984 12.00787 1.000 22.89348 O ? A ? 76 O 1
   ATOM 703 CB . LYS A 92 ? 15.80645 65.30702 11.40830 1.000 19.86067 C ? A ? 76 CB 1
   ATOM 704 CG . LYS A 92 ? 16.15608 66.56598 12.22604 1.000 23.61352 C ? A ? 76 CG 1
   ATOM 705 CD . LYS A 92 ? 17.65139 66.90237 12.19058 1.000 25.94898 C ? A ? 76 CD 1
   ATOM 706 CE . LYS A 92 ? 17.84605 68.15574 13.05372 1.000 33.12672 C ? A ? 76 CE 1
   ATOM 707 NZ . LYS A 92 ? 19.27263 68.55635 12.99663 1.000 31.21304 N ? A ? 76 NZ 1
   ATOM 708 N . ASP A 93 ? 13.11489 66.22694 9.85465 1.000 19.13875 N ? A ? 77 N 1
   ATOM 709 CA . ASP A 93 ? 12.28160 67.33359 9.38578 1.000 19.31963 C ? A ? 77 CA 1
   ATOM 710 C . ASP A 93 ? 10.79123 67.08161 9.63037 1.000 21.22123 C ? A ? 77 C 1
   ATOM 711 O . ASP A 93 ? 9.97530 67.90122 9.15719 1.000 23.20328 O ? A ? 77 O 1
   ATOM 712 CB . ASP A 93 ? 12.57039 67.60105 7.89844 1.000 19.63134 C ? A ? 77 CB 1
   ATOM 713 CG . ASP A 93 ? 12.07451 66.47526 6.96269 1.000 16.84952 C ? A ? 77 CG 1
   ATOM 714 OD1 . ASP A 93 ? 11.51188 65.47997 7.43148 1.000 19.41957 O ? A ? 77 OD1 1
   ATOM 715 OD2 . ASP A 93 ? 12.24208 66.64984 5.71652 1.000 19.69041 O ? A ? 77 OD2 1
   ATOM 716 N . GLY A 94 ? 10.42088 65.99801 10.29431 1.000 19.68302 N ? A ? 78 N 1
   ATOM 717 CA . GLY A 94 ? 9.02798 65.71582 10.60309 1.000 20.70472 C ? A ? 78 CA 1
   ATOM 718 C . GLY A 94 ? 8.26008 64.94554 9.56262 1.000 22.44751 C ? A ? 78 C 1
   ATOM 719 O . GLY A 94 ? 7.09662 64.58076 9.80468 1.000 23.78537 O ? A ? 78 O 1
   ATOM 720 N . THR A 95 ? 8.90975 64.54946 8.46353 1.000 20.31503 N ? A ? 79 N 1
   ATOM 721 CA . THR A 95 ? 8.13080 63.86076 7.42689 1.000 19.83296 C ? A ? 79 CA 1
   ATOM 722 C . THR A 95 ? 8.07001 62.35574 7.67886 1.000 19.92401 C ? A ? 79 C 1
   ATOM 723 O . THR A 95 ? 9.02855 61.74542 8.17805 1.000 20.01409 O ? A ? 79 O 1
   ATOM 724 CB . THR A 95 ? 8.71380 64.13129 6.03189 1.000 22.51337 C ? A ? 79 CB 1
   ATOM 725 OG1 . THR A 95 ? 10.12655 63.84641 5.98613 1.000 20.37087 O ? A ? 79 OG1 1
   ATOM 726 CG2 . THR A 95 ? 8.52472 65.60414 5.69509 1.000 23.90048 C ? A ? 79 CG2 1
   ATOM 727 N . PRO A 96 ? 6.96095 61.70879 7.34594 1.000 21.15013 N ? A ? 80 N 1
   ATOM 728 CA . PRO A 96 ? 6.73615 60.31842 7.70022 1.000 21.87610 C ? A ? 80 CA 1
   ATOM 729 C . PRO A 96 ? 7.31711 59.34493 6.69019 1.000 19.05214 C ? A ? 80 C 1
   ATOM 730 O . PRO A 96 ? 7.37706 59.60620 5.48880 1.000 20.60347 O ? A ? 80 O 1
   ATOM 731 CB . PRO A 96 ? 5.19940 60.21460 7.73746 1.000 23.98006 C ? A ? 80 CB 1
   ATOM 732 CG . PRO A 96 ? 4.76401 61.27183 6.70810 1.000 24.41668 C ? A ? 80 CG 1
   ATOM 733 CD . PRO A 96 ? 5.72199 62.41105 6.90463 1.000 23.05462 C ? A ? 80 CD 1
   ATOM 734 N . PHE A 97 ? 7.60276 58.13876 7.16918 1.000 19.30400 N ? A ? 81 N 1
   ATOM 735 CA . PHE A 97 ? 7.99026 57.02381 6.30512 1.000 19.06743 C ? A ? 81 CA 1
   ATOM 736 C . PHE A 97 ? 7.64631 55.71262 7.01029 1.000 19.01192 C ? A ? 81 C 1
   ATOM 737 O . PHE A 97 ? 7.63531 55.65682 8.24263 1.000 20.15854 O ? A ? 81 O 1
   ATOM 738 CB . PHE A 97 ? 9.47017 57.12378 5.86004 1.000 19.01145 C ? A ? 81 CB 1
   ATOM 739 CG . PHE A 97 ? 10.46042 56.86163 6.98585 1.000 18.22688 C ? A ? 81 CG 1
   ATOM 740 CD1 . PHE A 97 ? 10.86194 57.89391 7.82655 1.000 17.83432 C ? A ? 81 CD1 1
   ATOM 741 CD2 . PHE A 97 ? 11.03088 55.57929 7.15448 1.000 17.73340 C ? A ? 81 CD2 1
   ATOM 742 CE1 . PHE A 97 ? 11.79933 57.64990 8.87426 1.000 18.53321 C ? A ? 81 CE1 1
   ATOM 743 CE2 . PHE A 97 ? 11.94757 55.31912 8.18364 1.000 19.19756 C ? A ? 81 CE2 1
   ATOM 744 CZ . PHE A 97 ? 12.33365 56.34187 9.01921 1.000 18.86592 C ? A ? 81 CZ 1
   ATOM 745 N . TRP A 98 ? 7.43180 54.64192 6.23679 1.000 19.63831 N ? A ? 82 N 1
   ATOM 746 CA . TRP A 98 ? 7.09264 53.34711 6.78752 1.000 20.07989 C ? A ? 82 CA 1
   ATOM 747 C . TRP A 98 ? 8.36341 52.51187 6.93843 1.000 19.55191 C ? A ? 82 C 1
   ATOM 748 O . TRP A 98 ? 9.09148 52.30454 5.96197 1.000 20.80465 O ? A ? 82 O 1
   ATOM 749 CB . TRP A 98 ? 6.11203 52.67033 5.83174 1.000 22.48577 C ? A ? 82 CB 1
   ATOM 750 CG . TRP A 98 ? 4.81858 53.37199 5.96177 1.000 27.47756 C ? A ? 82 CG 1
   ATOM 751 CD1 . TRP A 98 ? 4.31432 54.36275 5.15173 1.000 37.34186 C ? A ? 82 CD1 1
   ATOM 752 CD2 . TRP A 98 ? 3.91651 53.17950 6.98810 1.000 34.65339 C ? A ? 82 CD2 1
   ATOM 753 NE1 . TRP A 98 ? 3.11655 54.80170 5.66444 1.000 38.88648 N ? A ? 82 NE1 1
   ATOM 754 CE2 . TRP A 98 ? 2.83345 54.06782 6.77929 1.000 30.24369 C ? A ? 82 CE2 1
   ATOM 755 CE3 . TRP A 98 ? 3.89834 52.33503 8.07342 1.000 24.59141 C ? A ? 82 CE3 1
   ATOM 756 CZ2 . TRP A 98 ? 1.76175 54.12950 7.65371 1.000 40.49087 C ? A ? 82 CZ2 1
   ATOM 757 CZ3 . TRP A 98 ? 2.79312 52.38250 8.95389 1.000 44.72985 C ? A ? 82 CZ3 1
   ATOM 758 CH2 . TRP A 98 ? 1.75846 53.27671 8.71489 1.000 30.08271 C ? A ? 82 CH2 1
   ATOM 759 N A ASN A 99 ? 8.61009 52.01791 8.15060 0.261 20.96089 N ? A ? 83 N 1
   ATOM 760 CA A ASN A 99 ? 9.86132 51.34582 8.49246 0.261 19.15563 C ? A ? 83 CA 1
   ATOM 761 C A ASN A 99 ? 9.55478 49.89906 8.86065 0.261 20.64527 C ? A ? 83 C 1
   ATOM 762 O A ASN A 99 ? 8.91588 49.64639 9.89041 0.261 22.77913 O ? A ? 83 O 1
   ATOM 763 CB A ASN A 99 ? 10.53556 52.09158 9.64566 0.261 19.49674 C ? A ? 83 CB 1
   ATOM 764 CG A ASN A 99 ? 11.74316 51.35152 10.19515 0.261 21.09093 C ? A ? 83 CG 1
   ATOM 765 OD1 A ASN A 99 ? 12.42882 50.63879 9.47437 0.261 18.93438 O ? A ? 83 OD1 1
   ATOM 766 ND2 A ASN A 99 ? 12.00575 51.52222 11.48716 0.261 19.68844 N ? A ? 83 ND2 1
   ATOM 767 N B ASN A 99 ? 8.59197 52.01593 8.15077 0.739 20.78540 N ? A ? 83 N 1
   ATOM 768 CA B ASN A 99 ? 9.82785 51.33064 8.52067 0.739 19.08089 C ? A ? 83 CA 1
   ATOM 769 C B ASN A 99 ? 9.48334 49.88342 8.82240 0.739 20.51394 C ? A ? 83 C 1
   ATOM 770 O B ASN A 99 ? 8.75538 49.61522 9.78566 0.739 22.38107 O ? A ? 83 O 1
   ATOM 771 CB B ASN A 99 ? 10.41432 52.03548 9.74138 0.739 19.59036 C ? A ? 83 CB 1
   ATOM 772 CG B ASN A 99 ? 11.70060 51.39226 10.23754 0.739 21.20115 C ? A ? 83 CG 1
   ATOM 773 OD1 B ASN A 99 ? 12.09257 50.26614 9.81952 0.739 19.55500 O ? A ? 83 OD1 1
   ATOM 774 ND2 B ASN A 99 ? 12.35270 52.10127 11.20049 0.739 21.80441 N ? A ? 83 ND2 1
   ATOM 775 N . LEU A 100 ? 9.99662 48.95265 8.02284 1.000 19.50624 N ? A ? 84 N 1
   ATOM 776 CA . LEU A 100 ? 9.93862 47.52950 8.35334 1.000 19.72471 C ? A ? 84 CA 1
   ATOM 777 C . LEU A 100 ? 11.19278 47.23117 9.17593 1.000 20.91130 C ? A ? 84 C 1
   ATOM 778 O . LEU A 100 ? 12.31835 47.25666 8.63181 1.000 21.06646 O ? A ? 84 O 1
   ATOM 779 CB . LEU A 100 ? 9.87043 46.66580 7.08455 1.000 20.53980 C ? A ? 84 CB 1
   ATOM 780 CG . LEU A 100 ? 10.04658 45.15857 7.32461 1.000 21.54378 C ? A ? 84 CG 1
   ATOM 781 CD1 . LEU A 100 ? 8.95818 44.59609 8.19337 1.000 28.42501 C ? A ? 84 CD1 1
   ATOM 782 CD2 . LEU A 100 ? 10.09729 44.40775 5.96394 1.000 25.34337 C ? A ? 84 CD2 1
   ATOM 783 N . LEU A 101 ? 11.01244 46.99155 10.47077 1.000 19.80200 N ? A ? 85 N 1
   ATOM 784 CA . LEU A 101 ? 12.11516 46.89831 11.42306 1.000 20.64172 C ? A ? 85 CA 1
   ATOM 785 C . LEU A 101 ? 12.22102 45.46298 11.91384 1.000 21.75169 C ? A ? 85 C 1
   ATOM 786 O . LEU A 101 ? 11.21558 44.86647 12.32031 1.000 22.60963 O ? A ? 85 O 1
   ATOM 787 CB . LEU A 101 ? 11.81541 47.80913 12.61783 1.000 20.76829 C ? A ? 85 CB 1
   ATOM 788 CG . LEU A 101 ? 12.70153 47.61910 13.87006 1.000 19.65722 C ? A ? 85 CG 1
   ATOM 789 CD1 . LEU A 101 ? 14.12389 48.05928 13.50895 1.000 21.20186 C ? A ? 85 CD1 1
   ATOM 790 CD2 . LEU A 101 ? 12.14892 48.43158 14.99938 1.000 22.43086 C ? A ? 85 CD2 1
   ATOM 791 N . THR A 102 ? 13.44525 44.89646 11.89513 1.000 19.53871 N ? A ? 86 N 1
   ATOM 792 CA . THR A 102 ? 13.68255 43.60767 12.53437 1.000 21.14527 C ? A ? 86 CA 1
   ATOM 793 C . THR A 102 ? 14.79452 43.76923 13.55459 1.000 20.96966 C ? A ? 86 C 1
   ATOM 794 O . THR A 102 ? 15.87842 44.28543 13.23083 1.000 20.49911 O ? A ? 86 O 1
   ATOM 795 CB . THR A 102 ? 14.12301 42.57976 11.50116 1.000 25.92309 C ? A ? 86 CB 1
   ATOM 796 OG1 . THR A 102 ? 13.07553 42.45122 10.51636 1.000 29.78843 O ? A ? 86 OG1 1
   ATOM 797 CG2 . THR A 102 ? 14.34772 41.24370 12.17564 1.000 28.06478 C ? A ? 86 CG2 1
   ATOM 798 N A VAL A 103 ? 14.50659 43.41076 14.79764 0.531 20.90181 N ? A ? 87 N 1
   ATOM 799 CA A VAL A 103 ? 15.50371 43.45603 15.85802 0.531 21.28199 C ? A ? 87 CA 1
   ATOM 800 C A VAL A 103 ? 15.91505 42.03419 16.21054 0.531 25.56205 C ? A ? 87 C 1
   ATOM 801 O A VAL A 103 ? 15.10545 41.09452 16.14530 0.531 23.91985 O ? A ? 87 O 1
   ATOM 802 CB A VAL A 103 ? 15.08446 44.29382 17.08167 0.531 21.37926 C ? A ? 87 CB 1
   ATOM 803 CG1 A VAL A 103 ? 14.68889 45.70053 16.60943 0.531 22.45632 C ? A ? 87 CG1 1
   ATOM 804 CG2 A VAL A 103 ? 13.97317 43.61179 17.85766 0.531 23.66370 C ? A ? 87 CG2 1
   ATOM 805 N B VAL A 103 ? 14.52694 43.31803 14.78204 0.469 21.08490 N ? A ? 87 N 1
   ATOM 806 CA B VAL A 103 ? 15.43286 43.45853 15.92428 0.469 20.94379 C ? A ? 87 CA 1
   ATOM 807 C B VAL A 103 ? 15.87298 42.06600 16.36013 0.469 25.33756 C ? A ? 87 C 1
   ATOM 808 O B VAL A 103 ? 15.02603 41.18219 16.55199 0.469 23.49797 O ? A ? 87 O 1
   ATOM 809 CB B VAL A 103 ? 14.74495 44.19495 17.08755 0.469 20.93870 C ? A ? 87 CB 1
   ATOM 810 CG1 B VAL A 103 ? 15.64379 44.23227 18.28967 0.469 22.53708 C ? A ? 87 CG1 1
   ATOM 811 CG2 B VAL A 103 ? 14.33127 45.59477 16.65038 0.469 22.57511 C ? A ? 87 CG2 1
   ATOM 812 N . THR A 104 ? 17.19291 41.87830 16.54522 1.000 21.27041 N ? A ? 88 N 1
   ATOM 813 CA . THR A 104 ? 17.76568 40.56953 16.86531 1.000 21.76991 C ? A ? 88 CA 1
   ATOM 814 C . THR A 104 ? 18.65246 40.68739 18.09678 1.000 21.61132 C ? A ? 88 C 1
   ATOM 815 O . THR A 104 ? 19.55267 41.56206 18.13139 1.000 20.68660 O ? A ? 88 O 1
   ATOM 816 CB . THR A 104 ? 18.62481 40.07502 15.70353 1.000 21.10690 C ? A ? 88 CB 1
   ATOM 817 OG1 . THR A 104 ? 17.82303 40.02259 14.49790 1.000 24.77093 O ? A ? 88 OG1 1
   ATOM 818 CG2 . THR A 104 ? 19.07206 38.64541 15.98504 1.000 26.92505 C ? A ? 88 CG2 1
   ATOM 819 N . PRO A 105 ? 18.45457 39.84830 19.12022 1.000 21.34896 N ? A ? 89 N 1
   ATOM 820 CA . PRO A 105 ? 19.36242 39.88004 20.27938 1.000 20.12109 C ? A ? 89 CA 1
   ATOM 821 C . PRO A 105 ? 20.66769 39.15674 19.97956 1.000 20.41416 C ? A ? 89 C 1
   ATOM 822 O . PRO A 105 ? 20.68526 38.16020 19.24714 1.000 23.42896 O ? A ? 89 O 1
   ATOM 823 CB . PRO A 105 ? 18.58696 39.12230 21.37683 1.000 22.11608 C ? A ? 89 CB 1
   ATOM 824 CG . PRO A 105 ? 17.75257 38.15345 20.58806 1.000 25.19334 C ? A ? 89 CG 1
   ATOM 825 CD . PRO A 105 ? 17.38232 38.84390 19.26833 1.000 23.19477 C ? A ? 89 CD 1
   ATOM 826 N . ILE A 106 ? 21.74551 39.68698 20.54659 1.000 20.36945 N ? A ? 90 N 1
   ATOM 827 CA . ILE A 106 ? 23.08581 39.10496 20.41602 1.000 21.41509 C ? A ? 90 CA 1
   ATOM 828 C . ILE A 106 ? 23.54018 38.77200 21.82439 1.000 20.76122 C ? A ? 90 C 1
   ATOM 829 O . ILE A 106 ? 23.67584 39.67121 22.65798 1.000 20.68020 O ? A ? 90 O 1
   ATOM 830 CB . ILE A 106 ? 24.05718 40.08816 19.76556 1.000 20.84528 C ? A ? 90 CB 1
   ATOM 831 CG1 . ILE A 106 ? 23.54828 40.56760 18.40082 1.000 23.69797 C ? A ? 90 CG1 1
   ATOM 832 CG2 . ILE A 106 ? 25.45154 39.39919 19.58924 1.000 25.13391 C ? A ? 90 CG2 1
   ATOM 833 CD1 . ILE A 106 ? 23.29758 39.45161 17.39883 1.000 26.08277 C ? A ? 90 CD1 1
   ATOM 834 N . LYS A 107 ? 23.77572 37.47414 22.07176 1.000 21.79941 N ? A ? 91 N 1
   ATOM 835 CA . LYS A 107 ? 24.03587 36.93682 23.39900 1.000 20.49502 C ? A ? 91 CA 1
   ATOM 836 C . LYS A 107 ? 25.50217 36.58531 23.60398 1.000 21.88287 C ? A ? 91 C 1
   ATOM 837 O . LYS A 107 ? 26.21997 36.23624 22.66284 1.000 23.87289 O ? A ? 91 O 1
   ATOM 838 CB . LYS A 107 ? 23.17163 35.67817 23.57970 1.000 26.24772 C ? A ? 91 CB 1
   ATOM 839 CG . LYS A 107 ? 21.68649 36.01883 23.62522 1.000 30.14060 C ? A ? 91 CG 1
   ATOM 840 CD . LYS A 107 ? 20.80702 34.77485 23.59951 1.000 35.01492 C ? A ? 91 CD 1
   ATOM 841 CE . LYS A 107 ? 19.35116 35.13055 23.95759 1.000 46.33234 C ? A ? 91 CE 1
   ATOM 842 NZ . LYS A 107 ? 18.49302 33.89782 23.98064 1.000 52.48458 N ? A ? 91 NZ 1
   ATOM 843 N . THR A 108 ? 25.92699 36.64163 24.84730 1.000 22.75244 N ? A ? 92 N 1
   ATOM 844 CA . THR A 108 ? 27.22275 36.11349 25.25730 1.000 27.07068 C ? A ? 92 CA 1
   ATOM 845 C . THR A 108 ? 27.08327 34.61372 25.49787 1.000 34.10324 C ? A ? 92 C 1
   ATOM 846 O . THR A 108 ? 25.97127 34.08186 25.48998 1.000 29.42770 O ? A ? 92 O 1
   ATOM 847 CB . THR A 108 ? 27.68785 36.83616 26.51610 1.000 28.14447 C ? A ? 92 CB 1
   ATOM 848 OG1 . THR A 108 ? 26.57732 37.09309 27.40726 1.000 26.75388 O ? A ? 92 OG1 1
   ATOM 849 CG2 . THR A 108 ? 28.34806 38.16591 26.17826 1.000 28.35418 C ? A ? 92 CG2 1
   ATOM 850 N . PRO A 109 ? 28.19583 33.89564 25.74192 1.000 32.75267 N ? A ? 93 N 1
   ATOM 851 CA . PRO A 109 ? 28.08924 32.43444 25.91377 1.000 35.06364 C ? A ? 93 CA 1
   ATOM 852 C . PRO A 109 ? 27.25863 31.99954 27.10630 1.000 35.33736 C ? A ? 93 C 1
   ATOM 853 O . PRO A 109 ? 26.74326 30.87868 27.09411 1.000 44.95591 O ? A ? 93 O 1
   ATOM 854 CB . PRO A 109 ? 29.55669 31.99124 26.04823 1.000 36.62676 C ? A ? 93 CB 1
   ATOM 855 CG . PRO A 109 ? 30.30372 33.00014 25.26740 1.000 37.94264 C ? A ? 93 CG 1
   ATOM 856 CD . PRO A 109 ? 29.60836 34.30646 25.57560 1.000 33.91688 C ? A ? 93 CD 1
   ATOM 857 N . ASP A 110 ? 27.09227 32.83999 28.11078 1.000 34.20400 N ? A ? 94 N 1
   ATOM 858 CA . ASP A 110 ? 26.21985 32.51910 29.23218 1.000 38.57801 C ? A ? 94 CA 1
   ATOM 859 C . ASP A 110 ? 24.73268 32.68684 28.92227 1.000 43.66914 C ? A ? 94 C 1
   ATOM 860 O . ASP A 110 ? 23.90938 32.51239 29.83205 1.000 41.37009 O ? A ? 94 O 1
   ATOM 861 CB . ASP A 110 ? 26.58321 33.39072 30.42797 1.000 41.73374 C ? A ? 94 CB 1
   ATOM 862 CG . ASP A 110 ? 26.42322 34.85895 30.14878 1.000 40.78035 C ? A ? 94 CG 1
   ATOM 863 OD1 . ASP A 110 ? 26.01110 35.21460 29.00735 1.000 33.59421 O ? A ? 94 OD1 1
   ATOM 864 OD2 . ASP A 110 ? 26.70972 35.66061 31.05493 1.000 39.10193 O ? A ? 94 OD2 1
   ATOM 865 N . GLY A 111 ? 24.36953 33.07548 27.69498 1.000 34.62318 N ? A ? 95 N 1
   ATOM 866 CA . GLY A 111 ? 22.98380 33.25789 27.28963 1.000 37.95903 C ? A ? 95 CA 1
   ATOM 867 C . GLY A 111 ? 22.36554 34.60906 27.60878 1.000 30.59332 C ? A ? 95 C 1
   ATOM 868 O . GLY A 111 ? 21.17844 34.81584 27.30779 1.000 39.70699 O ? A ? 95 O 1
   ATOM 869 N . ARG A 112 ? 23.10640 35.52757 28.20210 1.000 28.03233 N ? A ? 96 N 1
   ATOM 870 CA . ARG A 112 ? 22.58929 36.86175 28.46486 1.000 30.53877 C ? A ? 96 CA 1
   ATOM 871 C . ARG A 112 ? 22.69834 37.72093 27.20140 1.000 25.98127 C ? A ? 96 C 1
   ATOM 872 O . ARG A 112 ? 23.60650 37.54325 26.37868 1.000 25.97414 O ? A ? 96 O 1
   ATOM 873 CB . ARG A 112 ? 23.38628 37.52754 29.56842 1.000 33.81179 C ? A ? 96 CB 1
   ATOM 874 CG . ARG A 112 ? 23.30494 36.77355 30.89911 1.000 53.45675 C ? A ? 96 CG 1
   ATOM 875 CD . ARG A 112 ? 23.30260 37.73214 32.08729 1.000 72.27971 C ? A ? 96 CD 1
   ATOM 876 NE . ARG A 112 ? 22.67482 37.13745 33.26524 1.000 120.13344 N ? A ? 96 NE 1
   ATOM 877 CZ . ARG A 112 ? 23.27147 36.96723 34.43823 1.000 126.51375 C ? A ? 96 CZ 1
   ATOM 878 NH1 . ARG A 112 ? 24.51659 37.36837 34.64685 1.000 92.67644 N ? A ? 96 NH1 1
   ATOM 879 NH2 . ARG A 112 ? 22.59784 36.38939 35.43056 1.000 144.77586 N ? A ? 96 NH2 1
   ATOM 880 N . VAL A 113 ? 21.76715 38.65925 27.04307 1.000 25.15291 N ? A ? 97 N 1
   ATOM 881 CA . VAL A 113 ? 21.78575 39.53884 25.86734 1.000 22.51474 C ? A ? 97 CA 1
   ATOM 882 C . VAL A 113 ? 22.73252 40.70348 26.11217 1.000 20.74115 C ? A ? 97 C 1
   ATOM 883 O . VAL A 113 ? 22.59002 41.44273 27.10464 1.000 27.92687 O ? A ? 97 O 1
   ATOM 884 CB . VAL A 113 ? 20.36737 40.05889 25.58170 1.000 25.27764 C ? A ? 97 CB 1
   ATOM 885 CG1 . VAL A 113 ? 20.40191 40.96627 24.34950 1.000 25.00136 C ? A ? 97 CG1 1
   ATOM 886 CG2 . VAL A 113 ? 19.42197 38.89583 25.34172 1.000 25.26709 C ? A ? 97 CG2 1
   ATOM 887 N A SER A 114 ? 23.71078 40.87897 25.22210 0.473 20.31370 N ? A ? 98 N 1
   ATOM 888 CA A SER A 114 ? 24.62183 42.01676 25.29141 0.473 21.89159 C ? A ? 98 CA 1
   ATOM 889 C A SER A 114 ? 24.17667 43.16761 24.40343 0.473 20.69090 C ? A ? 98 C 1
   ATOM 890 O A SER A 114 ? 24.30208 44.33272 24.79246 0.473 21.60467 O ? A ? 98 O 1
   ATOM 891 CB A SER A 114 ? 26.02806 41.59643 24.83535 0.473 24.15570 C ? A ? 98 CB 1
   ATOM 892 OG A SER A 114 ? 26.88087 42.73021 24.71984 0.473 27.98094 O ? A ? 98 OG 1
   ATOM 893 N B SER A 114 ? 23.70450 40.88192 25.21042 0.527 20.24517 N ? A ? 98 N 1
   ATOM 894 CA B SER A 114 ? 24.65939 41.98510 25.25234 0.527 22.26451 C ? A ? 98 CA 1
   ATOM 895 C B SER A 114 ? 24.18279 43.15633 24.40209 0.527 20.69144 C ? A ? 98 C 1
   ATOM 896 O B SER A 114 ? 24.28341 44.31590 24.81727 0.527 21.59421 O ? A ? 98 O 1
   ATOM 897 CB B SER A 114 ? 26.00492 41.50253 24.66864 0.527 22.94809 C ? A ? 98 CB 1
   ATOM 898 OG B SER A 114 ? 26.90981 42.57842 24.42852 0.527 22.69606 O ? A ? 98 OG 1
   ATOM 899 N . LYS A 115 ? 23.70474 42.85943 23.19921 1.000 20.23168 N ? A ? 99 N 1
   ATOM 900 CA . LYS A 115 ? 23.34707 43.90039 22.24517 1.000 19.30618 C ? A ? 99 CA 1
   ATOM 901 C . LYS A 115 ? 22.06233 43.48651 21.57510 1.000 18.54243 C ? A ? 99 C 1
   ATOM 902 O . LYS A 115 ? 21.71138 42.30577 21.50192 1.000 20.77299 O ? A ? 99 O 1
   ATOM 903 CB . LYS A 115 ? 24.42054 44.04577 21.11936 1.000 20.85649 C ? A ? 99 CB 1
   ATOM 904 CG . LYS A 115 ? 25.84653 44.38988 21.62796 1.000 21.17716 C ? A ? 99 CG 1
   ATOM 905 CD . LYS A 115 ? 25.97906 45.78135 22.24820 1.000 23.51508 C ? A ? 99 CD 1
   ATOM 906 CE . LYS A 115 ? 27.31415 45.96907 22.93749 1.000 25.72925 C ? A ? 99 CE 1
   ATOM 907 NZ . LYS A 115 ? 27.13429 45.47320 24.33958 1.000 30.30806 N ? A ? 99 NZ 1
   ATOM 908 N . PHE A 116 ? 21.33692 44.48175 21.04103 1.000 17.39791 N ? A ? 100 N 1
   ATOM 909 CA . PHE A 116 ? 20.35768 44.19003 19.99894 1.000 19.30712 C ? A ? 100 CA 1
   ATOM 910 C . PHE A 116 ? 20.78794 44.88426 18.73591 1.000 17.87817 C ? A ? 100 C 1
   ATOM 911 O . PHE A 116 ? 21.30136 45.99778 18.77436 1.000 19.13320 O ? A ? 100 O 1
   ATOM 912 CB . PHE A 116 ? 18.93907 44.70938 20.33147 1.000 21.19822 C ? A ? 100 CB 1
   ATOM 913 CG . PHE A 116 ? 18.19760 43.86504 21.31218 1.000 23.08538 C ? A ? 100 CG 1
   ATOM 914 CD1 . PHE A 116 ? 17.34552 42.82956 20.91526 1.000 25.90109 C ? A ? 100 CD1 1
   ATOM 915 CD2 . PHE A 116 ? 18.33249 44.15076 22.64148 1.000 25.49040 C ? A ? 100 CD2 1
   ATOM 916 CE1 . PHE A 116 ? 16.65228 42.10399 21.95114 1.000 26.04882 C ? A ? 100 CE1 1
   ATOM 917 CE2 . PHE A 116 ? 17.69049 43.41924 23.60884 1.000 30.86531 C ? A ? 100 CE2 1
   ATOM 918 CZ . PHE A 116 ? 16.85916 42.40526 23.23763 1.000 30.11149 C ? A ? 100 CZ 1
   ATOM 919 N . VAL A 117 ? 20.61221 44.20508 17.61457 1.000 17.79535 N ? A ? 101 N 1
   ATOM 920 CA . VAL A 117 ? 20.85870 44.84706 16.33186 1.000 18.31539 C ? A ? 101 CA 1
   ATOM 921 C . VAL A 117 ? 19.51934 45.05938 15.64284 1.000 19.51105 C ? A ? 101 C 1
   ATOM 922 O . VAL A 117 ? 18.54789 44.30821 15.85988 1.000 20.89709 O ? A ? 101 O 1
   ATOM 923 CB . VAL A 117 ? 21.83844 44.07962 15.45196 1.000 21.14830 C ? A ? 101 CB 1
   ATOM 924 CG1 . VAL A 117 ? 23.19389 44.00654 16.15674 1.000 25.55813 C ? A ? 101 CG1 1
   ATOM 925 CG2 . VAL A 117 ? 21.33886 42.75293 15.11101 1.000 21.80318 C ? A ? 101 CG2 1
   ATOM 926 N A GLY A 118 ? 19.45455 46.10046 14.84097 0.424 16.98906 N ? A ? 102 N 1
   ATOM 927 CA A GLY A 118 ? 18.23645 46.43017 14.11132 0.424 18.10313 C ? A ? 102 CA 1
   ATOM 928 C A GLY A 118 ? 18.52014 46.66059 12.64112 0.424 18.20511 C ? A ? 102 C 1
   ATOM 929 O A GLY A 118 ? 19.46250 47.37556 12.27809 0.424 17.41576 O ? A ? 102 O 1
   ATOM 930 N B GLY A 118 ? 19.45100 46.11363 14.86170 0.576 16.87082 N ? A ? 102 N 1
   ATOM 931 CA B GLY A 118 ? 18.24398 46.43534 14.10865 0.576 18.01244 C ? A ? 102 CA 1
   ATOM 932 C B GLY A 118 ? 18.56376 46.59615 12.63536 0.576 18.05288 C ? A ? 102 C 1
   ATOM 933 O B GLY A 118 ? 19.58648 47.18612 12.26385 0.576 17.32441 O ? A ? 102 O 1
   ATOM 934 N . VAL A 119 ? 17.66926 46.08013 11.79210 1.000 18.69538 N ? A ? 103 N 1
   ATOM 935 CA . VAL A 119 ? 17.69897 46.32332 10.35310 1.000 18.68581 C ? A ? 103 CA 1
   ATOM 936 C . VAL A 119 ? 16.41602 47.05915 10.02432 1.000 19.73337 C ? A ? 103 C 1
   ATOM 937 O . VAL A 119 ? 15.32038 46.55342 10.33357 1.000 19.75836 O ? A ? 103 O 1
   ATOM 938 CB . VAL A 119 ? 17.77961 45.00630 9.57649 1.000 17.88328 C ? A ? 103 CB 1
   ATOM 939 CG1 . VAL A 119 ? 17.60458 45.26683 8.08260 1.000 20.84581 C ? A ? 103 CG1 1
   ATOM 940 CG2 . VAL A 119 ? 19.13155 44.32900 9.78924 1.000 22.22032 C ? A ? 103 CG2 1
   ATOM 941 N . GLN A 120 ? 16.54609 48.25998 9.46959 1.000 18.42112 N ? A ? 104 N 1
   ATOM 942 CA . GLN A 120 ? 15.37440 49.03750 9.03355 1.000 17.19096 C ? A ? 104 CA 1
   ATOM 943 C . GLN A 120 ? 15.30482 49.05083 7.51799 1.000 18.87585 C ? A ? 104 C 1
   ATOM 944 O . GLN A 120 ? 16.32836 49.23024 6.82539 1.000 18.91100 O ? A ? 104 O 1
   ATOM 945 CB . GLN A 120 ? 15.49661 50.49991 9.45982 1.000 17.92921 C ? A ? 104 CB 1
   ATOM 946 CG . GLN A 120 ? 15.52948 50.74773 10.96435 1.000 18.73401 C ? A ? 104 CG 1
   ATOM 947 CD . GLN A 120 ? 16.86920 50.80956 11.60761 1.000 19.69529 C ? A ? 104 CD 1
   ATOM 948 OE1 . GLN A 120 ? 17.93432 50.74924 10.97834 1.000 19.41187 O ? A ? 104 OE1 1
   ATOM 949 NE2 . GLN A 120 ? 16.82031 50.98086 12.93735 1.000 20.71950 N ? A ? 104 NE2 1
   ATOM 950 N . VAL A 121 ? 14.09920 48.91884 6.98521 1.000 17.59701 N ? A ? 105 N 1
   ATOM 951 CA . VAL A 121 ? 13.88935 49.06339 5.52428 1.000 19.39272 C ? A ? 105 CA 1
   ATOM 952 C . VAL A 121 ? 12.78228 50.09276 5.34065 1.000 19.29236 C ? A ? 105 C 1
   ATOM 953 O . VAL A 121 ? 11.69531 49.89014 5.88272 1.000 19.93283 O ? A ? 105 O 1
   ATOM 954 CB . VAL A 121 ? 13.45609 47.76045 4.86365 1.000 20.86134 C ? A ? 105 CB 1
   ATOM 955 CG1 . VAL A 121 ? 13.30982 47.98286 3.33470 1.000 22.56023 C ? A ? 105 CG1 1
   ATOM 956 CG2 . VAL A 121 ? 14.42378 46.62125 5.10615 1.000 25.39572 C ? A ? 105 CG2 1
   ATOM 957 N . ASP A 122 ? 13.03933 51.16001 4.57980 1.000 20.60051 N ? A ? 106 N 1
   ATOM 958 CA . ASP A 122 ? 11.96600 52.12544 4.22959 1.000 18.97777 C ? A ? 106 CA 1
   ATOM 959 C . ASP A 122 ? 11.11447 51.47721 3.14518 1.000 18.85531 C ? A ? 106 C 1
   ATOM 960 O . ASP A 122 ? 11.54137 51.33964 1.98285 1.000 21.30052 O ? A ? 106 O 1
   ATOM 961 CB . ASP A 122 ? 12.50386 53.49606 3.83269 1.000 21.12485 C ? A ? 106 CB 1
   ATOM 962 CG . ASP A 122 ? 11.37819 54.47937 3.43930 1.000 21.33609 C ? A ? 106 CG 1
   ATOM 963 OD1 . ASP A 122 ? 10.21889 54.03640 3.39942 1.000 21.32569 O ? A ? 106 OD1 1
   ATOM 964 OD2 . ASP A 122 ? 11.65545 55.67866 3.32012 1.000 25.51150 O ? A ? 106 OD2 1
   ATOM 965 N . VAL A 123 ? 9.96192 50.95255 3.55714 1.000 19.54770 N ? A ? 107 N 1
   ATOM 966 CA . VAL A 123 ? 9.05602 50.22785 2.64365 1.000 22.38346 C ? A ? 107 CA 1
   ATOM 967 C . VAL A 123 ? 7.93146 51.11414 2.11641 1.000 30.02743 C ? A ? 107 C 1
   ATOM 968 O . VAL A 123 ? 6.97425 50.59923 1.51319 1.000 29.48921 O ? A ? 107 O 1
   ATOM 969 CB . VAL A 123 ? 8.52107 48.95197 3.30013 1.000 22.58092 C ? A ? 107 CB 1
   ATOM 970 CG1 . VAL A 123 ? 9.66303 47.94510 3.52748 1.000 24.74048 C ? A ? 107 CG1 1
   ATOM 971 CG2 . VAL A 123 ? 7.81373 49.23926 4.59021 1.000 27.11731 C ? A ? 107 CG2 1
   ATOM 972 N . THR A 124 ? 8.04262 52.42769 2.27217 1.000 23.64872 N ? A ? 108 N 1
   ATOM 973 CA . THR A 124 ? 7.02838 53.36000 1.75263 1.000 25.46114 C ? A ? 108 CA 1
   ATOM 974 C . THR A 124 ? 6.71158 53.10625 0.26923 1.000 25.29407 C ? A ? 108 C 1
   ATOM 975 O . THR A 124 ? 5.54085 53.11268 -0.12089 1.000 35.24736 O ? A ? 108 O 1
   ATOM 976 CB . THR A 124 ? 7.48382 54.80410 1.96649 1.000 23.18780 C ? A ? 108 CB 1
   ATOM 977 OG1 . THR A 124 ? 7.77443 55.01621 3.36194 1.000 21.09859 O ? A ? 108 OG1 1
   ATOM 978 CG2 . THR A 124 ? 6.38507 55.81814 1.52071 1.000 28.58385 C ? A ? 108 CG2 1
   ATOM 979 N . SER A 125 ? 7.71288 52.87388 -0.56502 1.000 22.55659 N ? A ? 109 N 1
   ATOM 980 CA . SER A 125 ? 7.39010 52.80788 -2.01440 1.000 23.33158 C ? A ? 109 CA 1
   ATOM 981 C . SER A 125 ? 7.29172 51.37264 -2.52101 1.000 65.50363 C ? A ? 109 C 1
   ATOM 982 O . SER A 125 ? 7.84711 51.02871 -3.56514 1.000 94.34311 O ? A ? 109 O 1
   ATOM 983 CB . SER A 125 ? 8.39187 53.63708 -2.79976 1.000 34.41069 C ? A ? 109 CB 1
   ATOM 984 OG . SER A 125 ? 9.66759 53.05478 -2.70477 1.000 43.92363 O ? A ? 109 OG 1
   ATOM 985 N . LYS A 126 ? 6.55069 50.53568 -1.79700 1.000 68.28847 N ? A ? 110 N 1
   ATOM 986 CA . LYS A 126 ? 6.35554 49.12392 -2.13495 1.000 83.79574 C ? A ? 110 CA 1
   ATOM 987 C . LYS A 126 ? 7.70133 48.39797 -2.13597 1.000 82.68489 C ? A ? 110 C 1
   ATOM 988 O . LYS A 126 ? 8.37757 48.36325 -1.11101 1.000 68.91008 O ? A ? 110 O 1
   ATOM 989 CB . LYS A 126 ? 5.60333 48.94117 -3.46405 1.000 104.03864 C ? A ? 110 CB 1
   ATOM 990 CG . LYS A 126 ? 4.59440 47.80032 -3.44499 1.000 92.73398 C ? A ? 110 CG 1
   ATOM 991 CD . LYS A 126 ? 3.55273 48.05113 -2.37045 1.000 111.33089 C ? A ? 110 CD 1
   ATOM 992 CE . LYS A 126 ? 2.45402 47.00818 -2.34715 1.000 104.20075 C ? A ? 110 CE 1
   ATOM 993 NZ . LYS A 126 ? 1.68115 47.19899 -1.08636 1.000 98.05752 N ? A ? 110 NZ 1
   HETATM 994 C1' . FMN A 500 ? 12.43623 50.46449 19.14639 1.000 19.76889 C ? B ? . C1' 1
   HETATM 995 C10 . FMN A 500 ? 13.04266 51.29808 16.94564 1.000 18.04851 C ? B ? . C10 1
   HETATM 996 C2 . FMN A 500 ? 11.52881 52.71379 15.94282 1.000 19.36557 C ? B ? . C2 1
   HETATM 997 C2' . FMN A 500 ? 12.54449 51.45770 20.27861 1.000 18.90308 C ? B ? . C2' 1
   HETATM 998 C3' . FMN A 500 ? 11.88753 50.89797 21.56303 1.000 20.64047 C ? B ? . C3' 1
   HETATM 999 C4 . FMN A 500 ? 13.53440 52.10054 14.65830 1.000 19.20454 C ? B ? . C4 1
   HETATM 1000 C4' . FMN A 500 ? 10.37183 50.70793 21.33071 1.000 21.43683 C ? B ? . C4' 1
   HETATM 1001 C4A . FMN A 500 ? 13.94075 51.32241 15.82731 1.000 17.81019 C ? B ? . C4A 1
   HETATM 1002 C5' . FMN A 500 ? 9.71708 50.01466 22.52687 1.000 21.50084 C ? B ? . C5' 1
   HETATM 1003 C5A . FMN A 500 ? 15.38334 49.88117 16.83181 1.000 18.25385 C ? B ? . C5A 1
   HETATM 1004 C6 . FMN A 500 ? 16.58634 49.13452 16.85218 1.000 18.70314 C ? B ? . C6 1
   HETATM 1005 C7 . FMN A 500 ? 16.97927 48.35067 17.91414 1.000 17.83074 C ? B ? . C7 1
   HETATM 1006 C7M . FMN A 500 ? 18.27750 47.55523 17.89053 1.000 20.08782 C ? B ? . C7M 1
   HETATM 1007 C8 . FMN A 500 ? 16.18107 48.31615 19.08796 1.000 18.40908 C ? B ? . C8 1
   HETATM 1008 C8M . FMN A 500 ? 16.57548 47.48855 20.31114 1.000 20.13273 C ? B ? . C8M 1
   HETATM 1009 C9 . FMN A 500 ? 14.99459 49.04670 19.10169 1.000 20.09128 C ? B ? . C9 1
   HETATM 1010 C9A . FMN A 500 ? 14.57109 49.81351 18.00801 1.000 18.64965 C ? B ? . C9A 1
   HETATM 1011 N1 . FMN A 500 ? 11.92027 51.99522 17.00642 1.000 18.77693 N ? B ? . N1 1
   HETATM 1012 N10 . FMN A 500 ? 13.38174 50.56151 18.02042 1.000 18.71250 N ? B ? . N10 1
   HETATM 1013 N3 . FMN A 500 ? 12.32985 52.77256 14.77609 1.000 19.01600 N ? B ? . N3 1
   HETATM 1014 N5 . FMN A 500 ? 15.07952 50.64706 15.75594 1.000 18.29083 N ? B ? . N5 1
   HETATM 1015 O1P . FMN A 500 ? 9.49921 53.08116 23.54927 1.000 24.17871 O ? B ? . O1P 1
   HETATM 1016 O2 . FMN A 500 ? 10.46983 53.41589 15.89780 1.000 19.15902 O ? B ? . O2 1
   HETATM 1017 O2' . FMN A 500 ? 13.94133 51.66154 20.52693 1.000 20.28927 O ? B ? . O2' 1
   HETATM 1018 O2P . FMN A 500 ? 9.99818 52.06353 25.80222 1.000 25.63175 O ? B ? . O2P 1
   HETATM 1019 O3' . FMN A 500 ? 12.49433 49.64731 21.85918 1.000 21.69969 O ? B ? . O3' 1
   HETATM 1020 O3P . FMN A 500 ? 7.84664 51.33765 24.56797 1.000 28.82588 O ? B ? . O3P 1
   HETATM 1021 O4 . FMN A 500 ? 14.14486 52.10397 13.55404 1.000 17.78397 O ? B ? . O4 1
   HETATM 1022 O4' . FMN A 500 ? 9.83779 52.02490 21.13924 1.000 20.37238 O ? B ? . O4' 1
   HETATM 1023 O5' . FMN A 500 ? 10.07563 50.53089 23.80119 1.000 23.06914 O ? B ? . O5' 1
   HETATM 1024 P . FMN A 500 ? 9.30129 51.86329 24.46836 1.000 24.71819 P ? B ? . P 1
   HETATM 1025 O . HOH A 601 ? 0.55373 54.20898 11.74644 0.343 18.36181 O ? C ? . O 1
   HETATM 1026 O . HOH A 602 ? 3.41943 53.78485 1.26898 0.911 46.11230 O ? C ? . O 1
   HETATM 1027 O . HOH A 603 ? 24.12600 66.81583 13.49558 1.000 52.74077 O ? C ? . O 1
   HETATM 1028 O . HOH A 605 ? 28.76663 61.72142 18.70628 0.815 34.74808 O ? C ? . O 1
   HETATM 1029 O . HOH A 606 ? 3.04527 50.95797 23.26518 0.766 33.84275 O ? C ? . O 1
   HETATM 1030 O . HOH A 607 ? 29.99529 52.87269 9.37824 0.821 23.35039 O ? C ? . O 1
   HETATM 1031 O . HOH A 608 ? 10.69314 52.90179 -0.16144 0.758 23.48805 O ? C ? . O 1
   HETATM 1032 O . HOH A 609 ? 23.14911 57.17991 26.76069 0.490 20.39700 O ? C ? . O 1
   HETATM 1033 O . HOH A 610 ? 1.27746 61.61223 11.25396 0.696 37.11975 O ? C ? . O 1
   HETATM 1034 O . HOH A 611 ? 15.89457 61.32919 4.17587 0.422 17.61254 O ? C ? . O 1
   HETATM 1035 O . HOH A 612 ? 13.70251 56.05378 1.75270 0.726 22.55789 O ? C ? . O 1
   HETATM 1036 O . HOH A 613 ? 6.36591 40.71486 21.08387 1.000 47.57464 O ? C ? . O 1
   HETATM 1038 O . HOH A 615 ? -0.66374 56.18161 17.12431 0.785 38.83773 O ? C ? . O 1
   HETATM 1039 O . HOH A 616 ? 2.27204 50.01919 12.69267 0.738 33.69096 O ? C ? . O 1
   HETATM 1041 O . HOH A 618 ? 15.66991 48.13909 27.65156 0.506 25.42043 O ? C ? . O 1
   HETATM 1042 O . HOH A 619 ? 27.66501 55.43314 14.48142 0.869 18.91761 O ? C ? . O 1
   HETATM 1043 O A HOH A 620 ? 11.44615 49.94542 26.93503 0.509 30.17057 O ? C ? . O 1
   HETATM 1044 O B HOH A 620 ? 10.58498 50.85821 28.03519 0.491 34.46662 O ? C ? . O 1
   HETATM 1045 O . HOH A 621 ? 15.09248 48.44204 31.55529 0.892 49.20813 O ? C ? . O 1
   HETATM 1046 O . HOH A 622 ? 26.67156 35.76334 19.99335 0.909 29.79058 O ? C ? . O 1
   HETATM 1047 O . HOH A 624 ? 28.43149 54.88612 10.41081 0.943 24.95239 O ? C ? . O 1
   HETATM 1049 O . HOH A 627 ? 13.64981 68.81652 4.76284 0.891 23.82803 O ? C ? . O 1
   HETATM 1050 O . HOH A 628 ? 18.11581 66.78053 16.86356 0.752 44.60575 O ? C ? . O 1
   HETATM 1051 O . HOH A 629 ? 27.50142 51.70734 25.80447 0.772 29.73020 O ? C ? . O 1
   HETATM 1052 O . HOH A 630 ? 15.94423 38.12992 13.67307 0.776 32.14026 O ? C ? . O 1
   HETATM 1054 O . HOH A 632 ? 18.03278 42.31702 13.04015 0.868 20.89968 O ? C ? . O 1
   HETATM 1055 O . HOH A 633 ? 15.12666 58.71206 22.43975 0.956 28.04602 O ? C ? . O 1
   HETATM 1056 O . HOH A 634 ? 21.13709 66.43395 11.40032 0.736 29.22374 O ? C ? . O 1
   HETATM 1057 O . HOH A 636 ? 7.71909 54.74519 22.41604 0.783 23.48623 O ? C ? . O 1
   HETATM 1058 O . HOH A 637 ? 13.23360 66.50149 14.77653 0.706 31.65680 O ? C ? . O 1
   HETATM 1059 O . HOH A 638 ? 22.80281 51.47931 5.71352 0.818 19.89806 O ? C ? . O 1
   HETATM 1060 O . HOH A 640 ? 27.66527 49.74531 8.27697 0.706 26.17596 O ? C ? . O 1
   HETATM 1061 O . HOH A 641 ? 20.60980 63.01001 5.72993 0.673 20.38788 O ? C ? . O 1
   HETATM 1062 O . HOH A 642 ? 7.08686 61.89927 3.91908 0.798 19.57372 O ? C ? . O 1
   HETATM 1063 O . HOH A 643 ? 9.93931 57.25102 1.85603 0.887 23.42656 O ? C ? . O 1
   HETATM 1064 O . HOH A 644 ? 29.05324 54.57683 20.67213 0.761 27.20654 O ? C ? . O 1
   HETATM 1065 O . HOH A 645 ? 19.00809 66.60925 8.22298 0.995 25.32021 O ? C ? . O 1
   HETATM 1067 O . HOH A 647 ? 5.23617 55.79139 19.89448 0.872 31.82441 O ? C ? . O 1
   HETATM 1073 O . HOH A 655 ? 14.00790 51.46388 0.76698 0.752 30.95136 O ? C ? . O 1
   HETATM 1076 O A HOH A 659 ? 12.19342 49.03167 24.72265 0.419 20.63178 O ? C ? . O 1
   HETATM 1077 O B HOH A 659 ? 12.93351 50.22213 24.42374 0.581 26.27326 O ? C ? . O 1
   HETATM 1078 O . HOH A 660 ? 17.00438 51.67555 20.95392 0.825 22.61450 O ? C ? . O 1
   HETATM 1079 O . HOH A 661 ? 29.31288 54.58128 16.63584 0.866 22.71310 O ? C ? . O 1
   HETATM 1080 O . HOH A 662 ? 13.83900 44.77033 8.54569 0.809 22.58265 O ? C ? . O 1
   HETATM 1081 O . HOH A 663 ? 2.68696 52.60167 12.95410 0.806 25.43243 O ? C ? . O 1
   HETATM 1082 O . HOH A 664 ? 21.89532 63.04628 8.37084 0.850 24.79188 O ? C ? . O 1
   HETATM 1084 O . HOH A 667 ? 22.18262 64.23013 22.00513 0.805 26.97317 O ? C ? . O 1
   HETATM 1085 O . HOH A 668 ? 25.42506 51.49697 -1.19798 0.747 29.29217 O ? C ? . O 1
   HETATM 1087 O . HOH A 670 ? 15.52604 51.33895 3.13940 0.814 27.22626 O ? C ? . O 1
   HETATM 1089 O . HOH A 672 ? 13.79415 58.41979 24.68104 0.938 36.14755 O ? C ? . O 1
   HETATM 1090 O . HOH A 674 ? 21.81001 53.16579 0.95508 0.784 21.92428 O ? C ? . O 1
   HETATM 1091 O . HOH A 676 ? 20.06341 52.78819 3.05993 0.598 20.31006 O ? C ? . O 1
   HETATM 1092 O . HOH A 677 ? 2.81798 54.65532 19.65646 0.757 34.83919 O ? C ? . O 1
   HETATM 1095 O . HOH A 680 ? 10.62449 64.59418 13.74930 0.965 33.47946 O ? C ? . O 1
   HETATM 1096 O . HOH A 682 ? 27.81577 52.36753 6.96348 0.963 27.49064 O ? C ? . O 1
   HETATM 1097 O . HOH A 683 ? 19.59638 38.83013 29.07037 0.846 33.08832 O ? C ? . O 1
   HETATM 1098 O . HOH A 685 ? 1.14346 44.35507 21.26210 0.910 43.00756 O ? C ? . O 1
   HETATM 1101 O . HOH A 691 ? 14.23349 35.08300 19.20176 1.000 49.48447 O ? C ? . O 1
   HETATM 1102 O . HOH A 692 ? 23.17255 35.40810 20.07739 0.999 33.04595 O ? C ? . O 1
   HETATM 1106 O . HOH A 696 ? 8.03354 39.17207 15.17660 0.991 41.20366 O ? C ? . O 1
   HETATM 1109 O . HOH A 700 ? 15.04703 65.17243 7.78750 0.915 19.33398 O ? C ? . O 1
   HETATM 1110 O . HOH A 701 ? 11.75711 46.77992 26.56273 0.588 31.14966 O ? C ? . O 1
   HETATM 1111 O . HOH A 702 ? 13.13160 57.65773 5.11144 0.627 25.34986 O ? C ? . O 1
   HETATM 1113 O . HOH A 705 ? 21.49592 49.41303 1.62391 1.000 28.53938 O ? C ? . O 1
   HETATM 1114 O A HOH A 706 ? 28.96862 34.82944 22.50451 0.377 24.99298 O ? C ? . O 1
   HETATM 1115 O B HOH A 706 ? 28.15634 34.12830 22.50479 0.623 32.75361 O ? C ? . O 1
   HETATM 1116 O . HOH A 707 ? 14.45175 48.36270 -0.07638 0.918 37.64781 O ? C ? . O 1
   HETATM 1119 O . HOH A 710 ? 17.08533 58.58128 24.77254 0.676 28.96616 O ? C ? . O 1
   HETATM 1125 O . HOH A 721 ? 16.41315 63.37685 5.96866 0.802 18.36592 O ? C ? . O 1
   HETATM 1129 O . HOH A 730 ? 19.93111 55.27670 27.52116 0.845 19.68218 O ? C ? . O 1
   HETATM 1132 O . HOH A 733 ? 15.00647 69.71291 9.80254 0.880 32.84083 O ? C ? . O 1
   HETATM 1133 O . HOH A 734 ? 29.61029 55.88998 12.63283 0.873 28.21099 O ? C ? . O 1
   HETATM 1135 O . HOH A 737 ? 16.50223 67.95598 8.38526 0.791 26.92061 O ? C ? . O 1
   HETATM 1137 O . HOH A 739 ? 25.06419 33.47977 19.84984 0.956 40.27099 O ? C ? . O 1
   HETATM 1140 O . HOH A 742 ? 11.96690 70.82321 5.71017 0.917 36.98831 O ? C ? . O 1
   HETATM 1141 O . HOH A 743 ? 20.08716 42.16012 -0.68454 0.993 50.67157 O ? C ? . O 1
   HETATM 1143 O . HOH A 749 ? 17.15392 35.61926 17.31342 0.870 44.49265 O ? C ? . O 1
   HETATM 1144 O A HOH A 750 ? 20.54508 61.26868 27.80410 0.508 19.71251 O ? C ? . O 1
   HETATM 1145 O B HOH A 750 ? 20.30717 61.42305 26.81760 0.492 38.12030 O ? C ? . O 1
   HETATM 1148 O . HOH A 753 ? 17.33538 53.49682 3.47988 0.710 21.49923 O ? C ? . O 1
   HETATM 1149 O . HOH A 756 ? 12.83212 71.21600 8.64928 0.681 34.27921 O ? C ? . O 1
   HETATM 1150 O . HOH A 757 ? 0.48455 49.56400 10.45187 0.986 50.77785 O ? C ? . O 1
   HETATM 1151 O . HOH A 758 ? 16.60878 35.57557 14.62532 0.715 40.39863 O ? C ? . O 1
   HETATM 1152 O . HOH A 762 ? 24.79991 55.09399 26.75194 0.391 30.17143 O ? C ? . O 1
   HETATM 1153 O . HOH A 763 ? 15.51748 67.79949 15.98922 0.777 43.84207 O ? C ? . O 1
   HETATM 1154 O . HOH A 766 ? 4.86972 63.17044 3.21887 0.920 34.77553 O ? C ? . O 1
   HETATM 1155 O . HOH A 770 ? 14.99669 52.57596 -1.36691 0.763 34.61841 O ? C ? . O 1
   HETATM 1158 O . HOH A 774 ? 4.83782 65.63246 4.31425 0.956 50.13889 O ? C ? . O 1
   HETATM 1162 O . HOH A 780 ? 33.79711 54.85522 10.53740 0.837 38.55287 O ? C ? . O 1
   HETATM 1905 O . HOH S 783 ? 4.24589 63.29319 15.48469 0.924 42.06337 O ? D ? . O 1
   HETATM 1906 O . HOH S 784 ? 15.71503 48.21997 -2.29092 0.831 41.07893 O ? D ? . O 1
   HETATM 1908 O . HOH S 786 ? 23.79077 49.16580 2.78314 1.000 55.95694 O ? D ? . O 1
   HETATM 1909 O . HOH S 787 ? 15.17863 49.86972 22.79225 0.430 22.80135 O ? D ? . O 1
   HETATM 1910 O . HOH S 788 ? 23.98807 49.08883 33.19032 0.685 33.91572 O ? D ? . O 1
   HETATM 1911 O . HOH S 789 ? 4.44446 58.29466 19.34053 0.878 45.88631 O ? D ? . O 1
   HETATM 1912 O . HOH S 790 ? 5.20154 48.69572 2.32801 0.965 45.01299 O ? D ? . O 1
   HETATM 1917 O . HOH S 795 ? 16.24917 34.52742 22.03992 0.946 47.81772 O ? D ? . O 1
   HETATM 1919 O . HOH S 797 ? 9.38983 53.71979 27.74316 0.920 44.66715 O ? D ? . O 1
   HETATM 1922 O . HOH S 800 ? -0.50590 46.40295 15.37834 0.781 43.78821 O ? D ? . O 1
   HETATM 1929 O . HOH S 807 ? 26.71578 50.49746 0.88606 0.944 49.48587 O ? D ? . O 1
   HETATM 1930 O . HOH S 808 ? 29.99161 45.10462 24.52755 0.839 40.50908 O ? D ? . O 1
   HETATM 1938 O . HOH S 816 ? 25.93927 39.90547 28.27723 0.724 41.82297 O ? D ? . O 1
   HETATM 1944 O . HOH S 822 ? 12.24124 38.80453 13.72590 0.732 40.89880 O ? D ? . O 1
   HETATM 1963 O . HOH S 841 ? 6.79923 38.95319 23.16702 0.867 50.98085 O ? D ? . O 1
   HETATM 1966 O . HOH S 844 ? 2.95213 53.44547 22.27045 0.653 46.31728 O ? D ? . O 1
   HETATM 1970 O . HOH S 848 ? 15.63128 50.66650 -3.22338 0.538 45.47020 O ? D ? . O 1
   HETATM 1973 O . HOH S 851 ? 28.40142 54.13707 23.29069 0.407 27.46522 O ? D ? . O 1
   HETATM 2033 O . HOH S 880 ? 2.38507 62.60439 4.39698 0.627 42.44422 O ? E ? . O 1
   HETATM 2047 O . HOH S 894 ? 7.74409 55.56134 26.64397 1.000 56.86365 O ? E ? . O 1
   HETATM 2061 O . HOH S 908 ? -0.00000 47.35028 11.51000 1.000 57.48611 O ? E ? . O 1
   HETATM 2069 O . HOH S 916 ? 10.73158 36.83468 14.65250 0.667 49.02985 O ? E ? . O 1
   HETATM 2098 O . HOH S 936 ? 20.09006 53.35692 29.45115 0.853 19.65042 O ? F ? . O 1
   HETATM 2099 O . HOH S 937 ? 12.17849 61.64363 14.32416 0.844 21.84585 O ? F ? . O 1
   HETATM 2101 O . HOH S 939 ? 17.24842 63.01191 19.83915 1.000 47.78582 O ? F ? . O 1
   HETATM 2105 O . HOH S 943 ? 6.29462 45.82238 5.67448 0.646 38.19411 O ? F ? . O 1
   HETATM 2141 O . HOH S 979 ? 3.94225 51.15424 -2.10319 0.438 44.09513 O ? F ? . O 1
   HETATM 2157 O . HOH S 1003 ? 16.26677 61.39479 22.01926 0.557 32.26030 O ? G ? . O 1
   HETATM 2158 O . HOH S 1004 ? 14.91828 49.88440 25.87834 0.379 24.30360 O ? G ? . O 1
   HETATM 2159 O . HOH S 1005 ? 30.35107 51.97213 6.51400 0.385 23.75940 O ? G ? . O 1
   HETATM 2161 O . HOH S 1007 ? 5.83927 64.25187 14.07410 0.644 40.97433 O ? G ? . O 1
   HETATM 2168 O . HOH S 1014 ? 31.63833 55.24433 17.67541 0.358 29.55047 O ? G ? . O 1
   HETATM 2170 O . HOH S 1016 ? 23.84078 51.34408 0.76593 0.324 35.29993 O ? G ? . O 1
   HETATM 2171 O . HOH S 1017 ? 11.50285 62.86519 18.03700 0.549 36.81327 O ? G ? . O 1
   HETATM 2186 O . HOH S 1032 ? 11.83736 51.95238 -2.53635 0.379 30.61240 O ? G ? . O 1
   HETATM 2196 O . HOH S 1042 ? 12.15642 75.01603 3.95228 0.381 33.47598 O ? G ? . O 1
   HETATM 2199 O . HOH S 1045 ? 3.38832 48.59156 0.84516 0.634 57.11538 O ? G ? . O 1
   HETATM 2206 O . HOH S 1052 ? 13.90174 37.18067 12.69341 0.455 42.63638 O ? G ? . O 1
   HETATM 2210 O . HOH S 1056 ? 9.98179 66.97309 14.16000 0.405 41.33841 O ? G ? . O 1
   HETATM 2211 O . HOH S 1057 ? 21.50590 46.75316 31.32364 0.306 33.25864 O ? G ? . O 1
   HETATM 2237 O . HOH S 1083 ? 8.17490 64.78677 14.25017 0.347 30.88022 O ? G ? . O 1
   HETATM 2263 O . HOH S 1099 ? 9.14126 38.20593 19.42183 0.383 27.48248 O ? H ? . O 1
   HETATM 2274 O . HOH S 1110 ? 1.55134 49.79671 -0.24899 0.460 38.19185 O ? H ? . O 1
   HETATM 2282 O . HOH S 1118 ? 15.17136 70.62541 12.41140 0.375 28.61035 O ? H ? . O 1
   HETATM 2284 O . HOH S 1120 ? -2.11382 61.08798 14.05641 0.342 36.35079 O ? H ? . O 1
   HETATM 2285 O . HOH S 1121 ? 12.95856 42.41962 8.12695 0.257 25.56018 O ? H ? . O 1
   HETATM 2289 O . HOH S 1125 ? 12.28856 72.40931 3.78038 0.369 40.63192 O ? H ? . O 1
   HETATM 2295 O . HOH S 1131 ? 0.98542 57.38121 18.64916 0.311 28.71177 O ? H ? . O 1
   HETATM 2320 O . HOH S 1156 ? 16.90293 34.41504 19.59896 0.280 44.90284 O ? H ? . O 1
   HETATM 2327 O . HOH S 1163 ? 30.12143 54.97595 25.11096 0.266 23.82660 O ? H ? . O 1

data_comp_FMN
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
   FMN N1 N N 0 -0.382 33.6750 7.1950 13.1736
   FMN C2 C CR6 0 0.249 32.9561 6.3898 12.3473
   FMN O2 O O 0 -0.440 32.9898 5.1648 12.4100
   FMN N3 N NR16 0 -0.201 32.1310 6.9798 11.3759
   FMN C4 C CR6 0 0.191 31.9664 8.3181 11.1472
   FMN O4 O O 0 -0.392 31.2250 8.7480 10.2782
   FMN C4A C CR66 0 0.019 32.7744 9.1716 12.0552
   FMN N5 N N 0 -0.155 32.7101 10.4633 11.9228
   FMN C5A C CR6 0 0.197 33.4425 11.2403 12.7552
   FMN C6 C C1 0 -0.311 33.3761 12.6417 12.6148
   FMN C7 C C 0 0.126 34.0834 13.4849 13.4345
   FMN C7M C CH3 0 -0.387 34.0017 14.9743 13.2677
   FMN C8 C C 0 0.087 34.8939 12.9139 14.4584
   FMN C8M C CH3 0 -0.385 35.6591 13.8040 15.3906
   FMN C9 C C1 0 -0.272 34.9741 11.5423 14.6084
   FMN C9A C CR6 0 0.145 34.2663 10.6771 13.7656
   FMN N10 N NR6 0 0.053 34.3285 9.3005 13.8668
   FMN C10 C CR66 0 0.257 33.5926 8.5022 13.0373
   FMN C1' C CH2 0 -0.186 35.1949 8.6460 14.8618
   FMN C2' C CH1 0 0.218 34.4391 8.2756 16.1308
   FMN O2' O OH1 0 -0.529 33.9408 9.4912 16.6987
   FMN C3' C CH1 0 0.113 35.3450 7.5316 17.1165
   FMN O3' O OH1 0 -0.589 36.5694 8.2182 17.2487
   FMN C4' C CH1 0 0.090 35.5688 6.0660 16.7154
   FMN O4' O OH1 0 -0.532 34.2801 5.4367 16.7263
   FMN C5' C CH2 0 -0.067 36.5541 5.3581 17.6385
   FMN O5' O O2 0 -0.446 36.1851 5.4683 19.0036
   FMN P P P 0 0.834 37.2561 6.1668 20.0877
   FMN O1P O O 0 -0.786 37.4516 7.6107 19.5832
   FMN O2P O OP -1 -0.802 38.5353 5.3482 20.0210
   FMN O3P O OP -1 -0.810 36.4939 6.0826 21.3954
   FMN HN3 H HNR6 0 0.260 31.6106 6.3429 10.7851
   FMN H6 H H 0 0.120 32.7399 13.0312 11.8303
   FMN HM71 H HCH3 0 0.140 33.6245 15.4519 14.1755
   FMN HM72 H HCH3 0 0.140 34.9882 15.4022 13.0720
   FMN HM73 H HCH3 0 0.136 33.3424 15.2357 12.4415
   FMN HM81 H HCH3 0 0.144 34.9825 14.4714 15.9307
   FMN HM82 H HCH3 0 0.137 36.2259 13.2222 16.1153
   FMN HM83 H HCH3 0 0.144 36.3520 14.4425 14.8363
   FMN H9 H H 0 0.125 35.5711 11.1504 15.4142
   FMN H1'1 H HCH2 0 0.159 35.5852 7.7475 14.3964
   FMN H1'2 H HCH2 0 0.169 36.0246 9.3032 15.0871
   FMN H2' H HCH1 0 0.112 33.6043 7.6242 15.8690
   FMN HO2' H HOH1 0 0.337 33.3163 9.2586 17.3965
   FMN H3' H HCH1 0 0.053 34.8117 7.5139 18.0756
   FMN HO3' H HOH1 0 0.332 36.9477 7.9909 18.1606
   FMN H4' H HCH1 0 0.069 35.9931 6.0224 15.7040
   FMN HO4' H HOH1 0 0.336 34.3897 4.5205 16.4435
   FMN H5'1 H HCH2 0 0.101 36.5810 4.2975 17.3598
   FMN H5'2 H HCH2 0 0.077 37.5529 5.7640 17.4633

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
   FMN N1 C2 single 1.359 0.020 1.359
   FMN N1 C10 double 1.317 0.020 1.317
   FMN C2 O2 double 1.227 0.020 1.227
   FMN C2 N3 single 1.404 0.020 1.404
   FMN N3 C4 single 1.368 0.020 1.368
   FMN N3 HN3 single 0.860 0.020 1.020
   FMN C4 O4 double 1.221 0.020 1.221
   FMN C4 C4A single 1.485 0.020 1.485
   FMN C4A N5 double 1.300 0.020 1.300
   FMN C4A C10 single 1.443 0.020 1.443
   FMN N5 C5A single 1.354 0.020 1.354
   FMN C5A C6 aromatic 1.410 0.020 1.410
   FMN C5A C9A aromatic 1.420 0.020 1.420
   FMN C6 C7 aromatic 1.372 0.020 1.372
   FMN C6 H6 single 0.930 0.020 1.080
   FMN C7 C7M single 1.501 0.020 1.501
   FMN C7 C8 aromatic 1.425 0.020 1.425
   FMN C7M HM71 single 0.970 0.020 1.090
   FMN C7M HM72 single 0.970 0.020 1.090
   FMN C7M HM73 single 0.970 0.020 1.090
   FMN C8 C8M single 1.499 0.020 1.499
   FMN C8 C9 aromatic 1.382 0.020 1.382
   FMN C8M HM81 single 0.970 0.020 1.090
   FMN C8M HM82 single 0.970 0.020 1.090
   FMN C8M HM83 single 0.970 0.020 1.090
   FMN C9 C9A aromatic 1.400 0.020 1.400
   FMN C9 H9 single 0.930 0.020 1.080
   FMN C9A N10 single 1.382 0.020 1.382
   FMN N10 C10 single 1.366 0.020 1.366
   FMN N10 C1' single 1.473 0.020 1.473
   FMN C1' C2' single 1.523 0.020 1.523
   FMN C1' H1'1 single 0.970 0.020 1.090
   FMN C1' H1'2 single 0.970 0.020 1.090
   FMN C2' O2' single 1.431 0.020 1.431
   FMN C2' C3' single 1.532 0.020 1.532
   FMN C2' H2' single 0.970 0.020 1.090
   FMN O2' HO2' single 0.850 0.020 0.980
   FMN C3' O3' single 1.410 0.020 1.410
   FMN C3' C4' single 1.536 0.020 1.536
   FMN C3' H3' single 0.970 0.020 1.090
   FMN O3' HO3' single 0.850 0.020 0.980
   FMN C4' O4' single 1.434 0.020 1.434
   FMN C4' C5' single 1.525 0.020 1.525
   FMN C4' H4' single 0.970 0.020 1.090
   FMN O4' HO4' single 0.850 0.020 0.980
   FMN C5' O5' single 1.418 0.020 1.418
   FMN C5' H5'1 single 0.970 0.020 1.090
   FMN C5' H5'2 single 0.970 0.020 1.090
   FMN O5' P single 1.676 0.020 1.676
   FMN P O1P deloc 1.542 0.020 1.542
   FMN P O2P deloc 1.520 0.020 1.520
   FMN P O3P deloc 1.516 0.020 1.516

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
   FMN C10 N1 C2 119.47 3.000
   FMN N3 C2 O2 118.09 3.000
   FMN N3 C2 N1 118.83 3.000
   FMN O2 C2 N1 123.07 3.000
   FMN HN3 N3 C4 117.13 3.000
   FMN HN3 N3 C2 116.18 3.000
   FMN C4 N3 C2 126.69 3.000
   FMN C4A C4 O4 124.29 3.000
   FMN C4A C4 N3 113.24 3.000
   FMN O4 C4 N3 122.47 3.000
   FMN C10 C4A N5 123.94 3.000
   FMN C10 C4A C4 117.26 3.000
   FMN N5 C4A C4 118.81 3.000
   FMN C5A N5 C4A 118.74 3.000
   FMN C9A C5A C6 119.50 3.000
   FMN C9A C5A N5 121.57 3.000
   FMN C6 C5A N5 118.93 3.000
   FMN H6 C6 C7 120.97 3.000
   FMN H6 C6 C5A 117.23 3.000
   FMN C7 C6 C5A 121.80 3.000
   FMN C8 C7 C7M 120.55 3.000
   FMN C8 C7 C6 118.43 3.000
   FMN C7M C7 C6 121.02 3.000
   FMN HM73 C7M HM72 108.46 3.000
   FMN HM73 C7M HM71 108.44 3.000
   FMN HM72 C7M HM71 106.81 3.000
   FMN HM73 C7M C7 110.82 3.000
   FMN HM72 C7M C7 111.06 3.000
   FMN HM71 C7M C7 111.11 3.000
   FMN C9 C8 C8M 119.49 3.000
   FMN C9 C8 C7 120.56 3.000
   FMN C8M C8 C7 119.95 3.000
   FMN HM83 C8M HM82 108.65 3.000
   FMN HM83 C8M HM81 106.64 3.000
   FMN HM82 C8M HM81 108.64 3.000
   FMN HM83 C8M C8 110.80 3.000
   FMN HM82 C8M C8 111.25 3.000
   FMN HM81 C8M C8 110.72 3.000
   FMN H9 C9 C9A 120.39 3.000
   FMN H9 C9 C8 118.33 3.000
   FMN C9A C9 C8 121.24 3.000
   FMN N10 C9A C9 123.29 3.000
   FMN N10 C9A C5A 118.25 3.000
   FMN C9 C9A C5A 118.46 3.000
   FMN C1' N10 C10 117.86 3.000
   FMN C1' N10 C9A 121.25 3.000
   FMN C10 N10 C9A 120.89 3.000
   FMN N10 C10 C4A 116.59 3.000
   FMN N10 C10 N1 118.91 3.000
   FMN C4A C10 N1 124.50 3.000
   FMN H1'2 C1' H1'1 108.45 3.000
   FMN H1'2 C1' C2' 110.78 3.000
   FMN H1'1 C1' C2' 109.56 3.000
   FMN H1'2 C1' N10 108.77 3.000
   FMN H1'1 C1' N10 106.86 3.000
   FMN C2' C1' N10 112.28 3.000
   FMN H2' C2' C3' 108.49 3.000
   FMN H2' C2' O2' 109.63 3.000
   FMN C3' C2' O2' 111.30 3.000
   FMN H2' C2' C1' 108.97 3.000
   FMN C3' C2' C1' 111.16 3.000
   FMN O2' C2' C1' 107.27 3.000
   FMN HO2' O2' C2' 107.91 3.000
   FMN H3' C3' C4' 106.48 3.000
   FMN H3' C3' O3' 110.36 3.000
   FMN C4' C3' O3' 111.26 3.000
   FMN H3' C3' C2' 106.43 3.000
   FMN C4' C3' C2' 112.44 3.000
   FMN O3' C3' C2' 109.71 3.000
   FMN HO3' O3' C3' 107.42 3.000
   FMN H4' C4' C5' 106.84 3.000
   FMN H4' C4' O4' 109.69 3.000
   FMN C5' C4' O4' 111.86 3.000
   FMN H4' C4' C3' 109.57 3.000
   FMN C5' C4' C3' 112.28 3.000
   FMN O4' C4' C3' 106.61 3.000
   FMN HO4' O4' C4' 108.20 3.000
   FMN H5'2 C5' H5'1 107.22 3.000
   FMN H5'2 C5' O5' 111.31 3.000
   FMN H5'1 C5' O5' 109.03 3.000
   FMN H5'2 C5' C4' 108.74 3.000
   FMN H5'1 C5' C4' 108.11 3.000
   FMN O5' C5' C4' 112.25 3.000
   FMN P O5' C5' 119.25 3.000
   FMN O3P P O2P 115.53 3.000
   FMN O3P P O1P 113.45 3.000
   FMN O2P P O1P 112.53 3.000
   FMN O3P P O5' 102.33 3.000
   FMN O2P P O5' 106.55 3.000
   FMN O1P P O5' 105.05 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
   FMN CONST_01 C8 C7 C6 C5A 0.00 0.0 0
   FMN CONST_02 C8 C9 C9A C5A 0.00 0.0 0
   FMN CONST_03 C9 C9A C5A C6 0.00 0.0 0
   FMN CONST_04 C9 C8 C7 C6 0.00 0.0 0
   FMN CONST_05 C9A C5A C6 C7 0.00 0.0 0
   FMN CONST_06 C9A C9 C8 C7 0.00 0.0 0
   FMN CONST_07 C4 N3 C2 N1 0.00 0.0 0
   FMN CONST_08 C9A N10 C10 N1 180.00 0.0 0
   FMN CONST_09 C4A C10 N1 C2 0.00 0.0 0
   FMN CONST_10 N10 C10 N1 C2 180.00 0.0 0
   FMN CONST_11 C10 N1 C2 N3 0.00 0.0 0
   FMN CONST_12 C9A N10 C10 C4A 0.00 0.0 0
   FMN CONST_13 C7M C7 C6 C5A 180.00 0.0 0
   FMN CONST_14 C8M C8 C7 C6 180.00 0.0 0
   FMN CONST_15 C9 C8 C7 C7M 180.00 0.0 0
   FMN CONST_16 C9A C9 C8 C8M 180.00 0.0 0
   FMN CONST_17 C1' N10 C10 N1 0.00 0.0 0
   FMN CONST_18 C10 N1 C2 O2 180.00 0.0 0
   FMN CONST_19 C4 N3 C2 O2 180.00 0.0 0
   FMN CONST_20 C1' N10 C10 C4A 180.00 0.0 0
   FMN CONST_21 H6 C6 C5A N5 0.00 0.0 0
   FMN CONST_22 H9 C9 C9A C5A 180.00 0.0 0
   FMN CONST_23 H9 C9 C8 C7 180.00 0.0 0
   FMN CONST_24 H6 C6 C7 C8 180.00 0.0 0
   FMN CONST_25 H6 C6 C5A C9A 180.00 0.0 0
   FMN CONST_26 H9 C9 C9A N10 0.00 0.0 0
   FMN CONST_27 HN3 N3 C2 N1 180.00 0.0 0
   FMN CONST_28 HN3 N3 C2 O2 0.00 0.0 0
   FMN Var_01 C5A N5 C4A C4 179.71 0.0 0
   FMN Var_02 C10 C4A N5 C5A -0.45 0.0 0
   FMN Var_03 O4 C4 N3 C2 -179.96 30.0 1
   FMN Var_04 N5 C4A C4 O4 -0.66 30.0 1
   FMN Var_05 C10 C4A C4 O4 179.49 30.0 1
   FMN Var_06 C2' C1' N10 C9A 96.12 30.0 3
   FMN Var_07 C2' C1' N10 C10 -84.34 30.0 3
   FMN Var_08 HN3 N3 C4 O4 0.33 30.0 1
   FMN Var_09 HM71 C7M C7 C6 120.12 30.0 2
   FMN Var_10 HM72 C7M C7 C6 -121.14 30.0 2
   FMN Var_11 HM73 C7M C7 C6 -0.52 30.0 2
   FMN Var_12 HM81 C8M C8 C7 58.93 30.0 2
   FMN Var_13 HM82 C8M C8 C7 179.85 30.0 2
   FMN Var_14 HM83 C8M C8 C7 -59.17 30.0 2
   FMN Var_15 HM71 C7M C7 C8 -59.44 30.0 2
   FMN Var_16 HM72 C7M C7 C8 59.29 30.0 2
   FMN Var_17 HM73 C7M C7 C8 179.92 30.0 2
   FMN Var_18 HM81 C8M C8 C9 -120.57 30.0 2
   FMN Var_19 HM82 C8M C8 C9 0.35 30.0 2
   FMN Var_20 HM83 C8M C8 C9 121.32 30.0 2
   FMN Var_21 H1'1 C1' N10 C9A -143.74 30.0 3
   FMN Var_22 H1'2 C1' N10 C9A -26.85 30.0 3
   FMN Var_23 H1'1 C1' N10 C10 35.81 30.0 3
   FMN Var_24 H1'2 C1' N10 C10 152.69 30.0 3
   FMN Var_25 P O5' C5' C4' -121.84 30.0 3
   FMN Var_26 O1P P O5' C5' 61.50 30.0 3
   FMN Var_27 O2P P O5' C5' -58.09 30.0 3
   FMN Var_28 O3P P O5' C5' -179.77 30.0 3
   FMN Var_29 H5'1 C5' O5' P 118.40 30.0 2
   FMN Var_30 H5'2 C5' O5' P 0.32 30.0 2

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
   FMN chir_01 C2' C1' O2' C3' positiv
   FMN chir_02 C3' O3' C2' C4' negativ
   FMN chir_03 C4' O4' C3' C5' negativ

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   FMN plan-1 N3 0.020
   FMN plan-1 C4 0.020
   FMN plan-1 O4 0.020
   FMN plan-1 C4A 0.020
   FMN plan-2 N1 0.020
   FMN plan-2 C2 0.020
   FMN plan-2 O2 0.020
   FMN plan-2 N3 0.020
   FMN plan-2 C4 0.020
   FMN plan-2 C4A 0.020
   FMN plan-2 N5 0.020
   FMN plan-2 C5A 0.020
   FMN plan-2 C6 0.020
   FMN plan-2 C7 0.020
   FMN plan-2 C7M 0.020
   FMN plan-2 C8 0.020
   FMN plan-2 C8M 0.020
   FMN plan-2 C9 0.020
   FMN plan-2 C9A 0.020
   FMN plan-2 N10 0.020
   FMN plan-2 C10 0.020
   FMN plan-2 C1' 0.020
   FMN plan-2 HN3 0.020
   FMN plan-2 H6 0.020
   FMN plan-2 H9 0.020

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

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   FMN FMN 'FLAVIN MONONUCLEOTIDE' ligand 50 31 .

