data_8j68_qFit
_cell.length_a                    53.905
_cell.length_b                    53.905
_cell.length_c                    137.408
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      399273.158
_space_group.crystal_system       tetragonal
_space_group.IT_number            96
_space_group.name_H-M_alt         'P 43 21 2'
_space_group.name_Hall            ' P 4nw 2abw'
_symmetry.space_group_name_H-M    'P 43 21 2'
_symmetry.space_group_name_Hall   ' P 4nw 2abw'
_symmetry.Int_Tables_number       96
_reflns.B_iso_Wilson_estimate     32.06
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              38.12
_refine.ls_d_res_high             1.85
_refine.pdbx_ls_sigma_F           1.36
_refine.ls_percent_reflns_obs     70.03
_refine.ls_number_reflns_obs      12770
_refine.ls_number_reflns_R_work   11493
_refine.ls_number_reflns_R_free   1277
_refine.ls_R_factor_obs           0.2016
_refine.ls_R_factor_R_work        0.1981
_refine.ls_R_factor_R_free        0.2331
_refine.ls_percent_reflns_R_free  10.00
_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             0.2115
_refine.pdbx_overall_phase_error  28.3738
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                41.07
_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 -y+1/2,x+1/2,z+3/4
   3 y+1/2,-x+1/2,z+1/4
   4 x+1/2,-y+1/2,-z+1/4
   5 -x+1/2,y+1/2,-z+3/4
   6 -x,-y,z+1/2
   7 y,x,-z
   8 -y,-x,-z+1/2

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 1189 0.0133 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1625 1.3002 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 174 0.0798 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 213 0.0107 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 447 24.8555 ? ?

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' 3.84 38.12 1806 0.1728 91.10 0.1915 200
   'X-RAY DIFFRACTION' 3.05 3.84 1657 0.1755 89.03 0.2346 185
   'X-RAY DIFFRACTION' 2.66 3.04 1627 0.2193 88.63 0.2475 181
   'X-RAY DIFFRACTION' 2.42 2.66 1734 0.2390 96.35 0.3093 192
   'X-RAY DIFFRACTION' 2.27 2.42 1523 0.2284 98.09 0.2461 169
   'X-RAY DIFFRACTION' 2.11 2.23 1507 0.2415 91.58 0.2901 168
   'X-RAY DIFFRACTION' 2.01 2.11 382 0.2855 21.62 0.2745 42
   'X-RAY DIFFRACTION' 1.92 2.01 1004 0.2714 56.23 0.3233 111
   'X-RAY DIFFRACTION' 1.85 1.92 253 0.2759 14.31 0.3226 29

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 . ARG A 12 ? -7.60000 -7.88525 2.14999 1.000 67.41471 N ? A ? 1 N 1
   ATOM 2 CA . ARG A 12 ? -8.61329 -6.96788 2.68877 1.000 65.96374 C ? A ? 1 CA 1
   ATOM 3 C . ARG A 12 ? -9.75218 -6.66992 1.71430 1.000 70.42242 C ? A ? 1 C 1
   ATOM 4 O . ARG A 12 ? -10.24857 -7.57713 1.01981 1.000 91.64100 O ? A ? 1 O 1
   ATOM 5 CB . ARG A 12 ? -7.96861 -5.63625 3.13104 1.000 93.20769 C ? A ? 1 CB 1
   ATOM 6 CG . ARG A 12 ? -6.62176 -5.74614 3.88849 1.000 87.57351 C ? A ? 1 CG 1
   ATOM 7 CD . ARG A 12 ? -6.68516 -6.18249 5.39120 1.000 87.48262 C ? A ? 1 CD 1
   ATOM 8 NE . ARG A 12 ? -7.37825 -7.44635 5.62658 1.000 59.71520 N ? A ? 1 NE 1
   ATOM 9 CZ . ARG A 12 ? -7.03950 -8.62820 5.12030 1.000 53.56337 C ? A ? 1 CZ 1
   ATOM 10 NH1 . ARG A 12 ? -5.92464 -8.79698 4.42224 1.000 83.31890 N ? A ? 1 NH1 1
   ATOM 11 NH2 . ARG A 12 ? -7.88624 -9.66778 5.25432 1.000 42.80235 N ? A ? 1 NH2 1
   ATOM 12 N . GLY A 13 ? -10.17981 -5.40342 1.67442 1.000 68.33075 N ? A ? 2 N 1
   ATOM 13 CA . GLY A 13 ? -11.38772 -5.07294 0.93703 1.000 69.16088 C ? A ? 2 CA 1
   ATOM 14 C . GLY A 13 ? -12.49278 -4.36678 1.70174 1.000 63.59123 C ? A ? 2 C 1
   ATOM 15 O . GLY A 13 ? -12.40605 -3.15161 1.92970 1.000 65.69010 O ? A ? 2 O 1
   ATOM 16 N . SER A 14 ? -13.54550 -5.09753 2.08251 1.000 60.98023 N ? A ? 3 N 1
   ATOM 17 CA . SER A 14 ? -14.71575 -4.50878 2.77671 1.000 63.13953 C ? A ? 3 CA 1
   ATOM 18 C . SER A 14 ? -14.38850 -3.98478 4.17025 1.000 71.40281 C ? A ? 3 C 1
   ATOM 19 O . SER A 14 ? -15.24000 -4.01926 5.06919 1.000 73.70402 O ? A ? 3 O 1
   ATOM 20 CB . SER A 14 ? -15.86999 -5.52352 2.90138 1.000 84.31111 C ? A ? 3 CB 1
   ATOM 21 OG . SER A 14 ? -17.10322 -4.91296 3.30957 1.000 54.99586 O ? A ? 3 OG 1
   ATOM 22 N . ALA A 17 ? -6.59166 2.11656 1.14927 1.000 60.36624 N ? A ? 4 N 1
   ATOM 23 CA . ALA A 17 ? -7.86967 2.47666 0.47636 1.000 82.58620 C ? A ? 4 CA 1
   ATOM 24 C . ALA A 17 ? -8.03045 1.59224 -0.73867 1.000 62.05296 C ? A ? 4 C 1
   ATOM 25 O . ALA A 17 ? -7.03788 1.12070 -1.34361 1.000 52.23973 O ? A ? 4 O 1
   ATOM 26 CB . ALA A 17 ? -7.92637 4.02081 0.02981 1.000 53.70907 C ? A ? 4 CB 1
   ATOM 27 N . LEU A 18 ? -9.27551 1.34398 -1.08584 1.000 51.26854 N ? A ? 5 N 1
   ATOM 28 CA . LEU A 18 ? -9.58383 0.78331 -2.39116 1.000 48.51821 C ? A ? 5 CA 1
   ATOM 29 C . LEU A 18 ? -8.99652 1.66397 -3.50979 1.000 46.30176 C ? A ? 5 C 1
   ATOM 30 O . LEU A 18 ? -9.25794 2.86559 -3.56376 1.000 45.66957 O ? A ? 5 O 1
   ATOM 31 CB . LEU A 18 ? -11.09976 0.68491 -2.52934 1.000 45.80276 C ? A ? 5 CB 1
   ATOM 32 CG . LEU A 18 ? -11.59622 -0.16127 -3.66603 1.000 42.53557 C ? A ? 5 CG 1
   ATOM 33 CD1 . LEU A 18 ? -11.01288 -1.55382 -3.51174 1.000 42.26085 C ? A ? 5 CD1 1
   ATOM 34 CD2 . LEU A 18 ? -13.08676 -0.19468 -3.63447 1.000 42.34750 C ? A ? 5 CD2 1
   ATOM 35 N . SER A 19 ? -8.14058 1.09466 -4.36980 1.000 46.26355 N ? A ? 6 N 1
   ATOM 36 CA . SER A 19 ? -7.56867 1.82257 -5.50212 1.000 45.13125 C ? A ? 6 CA 1
   ATOM 37 C . SER A 19 ? -7.96985 1.13928 -6.80053 1.000 52.02222 C ? A ? 6 C 1
   ATOM 38 O . SER A 19 ? -7.87233 -0.08480 -6.91602 1.000 43.33998 O ? A ? 6 O 1
   ATOM 39 CB . SER A 19 ? -6.04229 1.90766 -5.38153 1.000 44.26835 C ? A ? 6 CB 1
   ATOM 40 OG . SER A 19 ? -5.37218 1.69279 -6.62707 1.000 44.17452 O ? A ? 6 OG 1
   ATOM 41 N . THR A 20 ? -8.38511 1.93210 -7.78641 1.000 39.58279 N ? A ? 7 N 1
   ATOM 42 CA . THR A 20 ? -8.75446 1.36460 -9.07561 1.000 38.05521 C ? A ? 7 CA 1
   ATOM 43 C . THR A 20 ? -7.53953 0.92682 -9.87090 1.000 39.93104 C ? A ? 7 C 1
   ATOM 44 O . THR A 20 ? -7.68192 0.15379 -10.81459 1.000 35.04897 O ? A ? 7 O 1
   ATOM 45 CB . THR A 20 ? -9.60686 2.36345 -9.88340 1.000 33.92818 C ? A ? 7 CB 1
   ATOM 46 OG1 . THR A 20 ? -10.20267 1.67705 -10.99046 1.000 33.68004 O ? A ? 7 OG1 1
   ATOM 47 CG2 . THR A 20 ? -8.75693 3.54955 -10.41695 1.000 35.94898 C ? A ? 7 CG2 1
   ATOM 48 N . PHE A 21 ? -6.34474 1.36492 -9.49458 1.000 40.97523 N ? A ? 8 N 1
   ATOM 49 CA . PHE A 21 ? -5.14137 0.92787 -10.18887 1.000 41.24109 C ? A ? 8 CA 1
   ATOM 50 C . PHE A 21 ? -4.44446 -0.26003 -9.53261 1.000 43.07434 C ? A ? 8 C 1
   ATOM 51 O . PHE A 21 ? -3.72845 -0.99721 -10.22539 1.000 44.78323 O ? A ? 8 O 1
   ATOM 52 CB . PHE A 21 ? -4.16303 2.09757 -10.29366 1.000 42.15121 C ? A ? 8 CB 1
   ATOM 53 CG . PHE A 21 ? -4.70832 3.22307 -11.08654 1.000 50.68572 C ? A ? 8 CG 1
   ATOM 54 CD1 . PHE A 21 ? -5.02102 4.44464 -10.46696 1.000 45.86621 C ? A ? 8 CD1 1
   ATOM 55 CD2 . PHE A 21 ? -4.99996 3.03986 -12.43985 1.000 39.96301 C ? A ? 8 CD2 1
   ATOM 56 CE1 . PHE A 21 ? -5.56228 5.51114 -11.22656 1.000 43.77250 C ? A ? 8 CE1 1
   ATOM 57 CE2 . PHE A 21 ? -5.52118 4.07826 -13.19958 1.000 48.12703 C ? A ? 8 CE2 1
   ATOM 58 CZ . PHE A 21 ? -5.80240 5.31917 -12.59576 1.000 40.26249 C ? A ? 8 CZ 1
   ATOM 59 N . LYS A 22 ? -4.65907 -0.47805 -8.23825 1.000 43.21998 N ? A ? 9 N 1
   ATOM 60 CA . LYS A 22 ? -4.05037 -1.59666 -7.53510 1.000 53.21984 C ? A ? 9 CA 1
   ATOM 61 C . LYS A 22 ? -4.98362 -2.78901 -7.35953 1.000 48.48583 C ? A ? 9 C 1
   ATOM 62 O . LYS A 22 ? -4.50402 -3.92045 -7.30820 1.000 50.08194 O ? A ? 9 O 1
   ATOM 63 CB . LYS A 22 ? -3.54460 -1.13157 -6.16138 1.000 55.65118 C ? A ? 9 CB 1
   ATOM 64 CG . LYS A 22 ? -2.97468 -2.23765 -5.26091 1.000 81.08340 C ? A ? 9 CG 1
   ATOM 65 CD . LYS A 22 ? -1.59649 -1.85842 -4.68775 1.000 90.40303 C ? A ? 9 CD 1
   ATOM 66 CE . LYS A 22 ? -1.18900 -2.77129 -3.52469 1.000 88.25424 C ? A ? 9 CE 1
   ATOM 67 NZ . LYS A 22 ? -0.87762 -1.96684 -2.30068 1.000 89.34362 N ? A ? 9 NZ 1
   ATOM 68 N . HIS A 23 ? -6.29383 -2.58563 -7.27427 1.000 43.34087 N ? A ? 10 N 1
   ATOM 69 CA . HIS A 23 ? -7.19122 -3.67512 -6.90809 1.000 46.78539 C ? A ? 10 CA 1
   ATOM 70 C . HIS A 23 ? -8.05625 -4.12495 -8.07776 1.000 42.39944 C ? A ? 10 C 1
   ATOM 71 O . HIS A 23 ? -8.19689 -3.42430 -9.07539 1.000 32.96125 O ? A ? 10 O 1
   ATOM 72 CB . HIS A 23 ? -8.05881 -3.25089 -5.74135 1.000 46.44125 C ? A ? 10 CB 1
   ATOM 73 CG . HIS A 23 ? -7.25291 -2.84621 -4.55040 1.000 55.58841 C ? A ? 10 CG 1
   ATOM 74 ND1 . HIS A 23 ? -7.52643 -1.72163 -3.80901 1.000 61.57983 N ? A ? 10 ND1 1
   ATOM 75 CD2 . HIS A 23 ? -6.15297 -3.40606 -3.99455 1.000 57.17720 C ? A ? 10 CD2 1
   ATOM 76 CE1 . HIS A 23 ? -6.62937 -1.60326 -2.84740 1.000 51.35509 C ? A ? 10 CE1 1
   ATOM 77 NE2 . HIS A 23 ? -5.79341 -2.62301 -2.92927 1.000 55.38933 N ? A ? 10 NE2 1
   ATOM 78 N . THR A 24 ? -8.61844 -5.32823 -7.95549 1.000 35.78848 N ? A ? 11 N 1
   ATOM 79 CA . THR A 24 ? -9.47197 -5.92065 -8.97783 1.000 31.96625 C ? A ? 11 CA 1
   ATOM 80 C . THR A 24 ? -10.88700 -5.85086 -8.48077 1.000 30.78257 C ? A ? 11 C 1
   ATOM 81 O . THR A 24 ? -11.21198 -6.46393 -7.46327 1.000 28.65489 O ? A ? 11 O 1
   ATOM 82 CB . THR A 24 ? -9.09348 -7.36358 -9.24669 1.000 31.55862 C ? A ? 11 CB 1
   ATOM 83 OG1 . THR A 24 ? -7.71402 -7.38052 -9.58479 1.000 33.00891 O ? A ? 11 OG1 1
   ATOM 84 CG2 . THR A 24 ? -9.93523 -7.90205 -10.39108 1.000 28.79762 C ? A ? 11 CG2 1
   ATOM 85 N . PHE A 25 ? -11.72472 -5.07716 -9.16292 1.000 28.38181 N ? A ? 12 N 1
   ATOM 86 CA . PHE A 25 ? -13.12278 -5.02563 -8.76857 1.000 27.26226 C ? A ? 12 CA 1
   ATOM 87 C . PHE A 25 ? -13.93557 -4.47642 -9.92367 1.000 26.54645 C ? A ? 12 C 1
   ATOM 88 O . PHE A 25 ? -13.40310 -3.93800 -10.90275 1.000 26.00318 O ? A ? 12 O 1
   ATOM 89 CB . PHE A 25 ? -13.34326 -4.17984 -7.49997 1.000 29.82152 C ? A ? 12 CB 1
   ATOM 90 CG . PHE A 25 ? -13.02030 -2.72089 -7.66645 1.000 28.29760 C ? A ? 12 CG 1
   ATOM 91 CD1 . PHE A 25 ? -11.72810 -2.24907 -7.43856 1.000 30.76204 C ? A ? 12 CD1 1
   ATOM 92 CD2 . PHE A 25 ? -14.02240 -1.80516 -8.01497 1.000 28.90993 C ? A ? 12 CD2 1
   ATOM 93 CE1 . PHE A 25 ? -11.40338 -0.85198 -7.56392 1.000 32.28797 C ? A ? 12 CE1 1
   ATOM 94 CE2 . PHE A 25 ? -13.73177 -0.44571 -8.16398 1.000 28.03565 C ? A ? 12 CE2 1
   ATOM 95 CZ . PHE A 25 ? -12.42965 0.05043 -7.93559 1.000 30.87344 C ? A ? 12 CZ 1
   ATOM 96 N . VAL A 26 ? -15.24244 -4.67121 -9.81448 1.000 25.19004 N ? A ? 13 N 1
   ATOM 97 CA . VAL A 26 ? -16.20942 -4.10089 -10.73600 1.000 26.54793 C ? A ? 13 CA 1
   ATOM 98 C . VAL A 26 ? -17.32962 -3.57217 -9.87826 1.000 26.22223 C ? A ? 13 C 1
   ATOM 99 O . VAL A 26 ? -17.52337 -4.00902 -8.74185 1.000 23.21273 O ? A ? 13 O 1
   ATOM 100 CB . VAL A 26 ? -16.80472 -5.08645 -11.77082 1.000 26.47595 C ? A ? 13 CB 1
   ATOM 101 CG1 . VAL A 26 ? -15.69212 -5.73301 -12.55969 1.000 26.95548 C ? A ? 13 CG1 1
   ATOM 102 CG2 . VAL A 26 ? -17.67477 -6.13822 -11.07366 1.000 26.58892 C ? A ? 13 CG2 1
   ATOM 103 N . VAL A 27 ? -18.11061 -2.66605 -10.47424 1.000 25.44822 N ? A ? 14 N 1
   ATOM 104 CA . VAL A 27 ? -19.26122 -2.05374 -9.83397 1.000 28.10558 C ? A ? 14 CA 1
   ATOM 105 C . VAL A 27 ? -20.45649 -2.27853 -10.73197 1.000 31.65541 C ? A ? 14 C 1
   ATOM 106 O . VAL A 27 ? -20.40274 -2.01484 -11.94466 1.000 29.61390 O ? A ? 14 O 1
   ATOM 107 CB . VAL A 27 ? -19.03963 -0.55096 -9.54947 1.000 29.70496 C ? A ? 14 CB 1
   ATOM 108 CG1 . VAL A 27 ? -20.24517 0.02053 -8.75718 1.000 29.93282 C ? A ? 14 CG1 1
   ATOM 109 CG2 . VAL A 27 ? -17.73104 -0.36013 -8.74384 1.000 28.01439 C ? A ? 14 CG2 1
   ATOM 110 N . ALA A 28 ? -21.53473 -2.78305 -10.14237 1.000 29.38154 N ? A ? 15 N 1
   ATOM 111 CA . ALA A 28 ? -22.74228 -3.06284 -10.88850 1.000 33.33096 C ? A ? 15 CA 1
   ATOM 112 C . ALA A 28 ? -23.85661 -2.09571 -10.48829 1.000 35.75390 C ? A ? 15 C 1
   ATOM 113 O . ALA A 28 ? -23.95987 -1.67081 -9.33202 1.000 34.91454 O ? A ? 15 O 1
   ATOM 114 CB . ALA A 28 ? -23.17327 -4.50475 -10.65470 1.000 33.29806 C ? A ? 15 CB 1
   ATOM 115 N . ASP A 29 ? -24.71598 -1.77317 -11.44580 1.000 39.53998 N ? A ? 16 N 1
   ATOM 116 CA . ASP A 29 ? -25.76017 -0.78032 -11.22705 1.000 44.84507 C ? A ? 16 CA 1
   ATOM 117 C . ASP A 29 ? -27.01214 -1.52766 -10.82246 1.000 51.86766 C ? A ? 16 C 1
   ATOM 118 O . ASP A 29 ? -27.57816 -2.28454 -11.62631 1.000 51.71776 O ? A ? 16 O 1
   ATOM 119 CB . ASP A 29 ? -25.99760 0.04166 -12.48999 1.000 48.80081 C ? A ? 16 CB 1
   ATOM 120 CG . ASP A 29 ? -26.67174 1.35598 -12.20085 1.000 64.38025 C ? A ? 16 CG 1
   ATOM 121 OD1 . ASP A 29 ? -27.48388 1.41167 -11.24976 1.000 55.46802 O ? A ? 16 OD1 1
   ATOM 122 OD2 . ASP A 29 ? -26.36755 2.32963 -12.91616 1.000 72.08919 O ? A ? 16 OD2 1
   ATOM 123 N . ALA A 30 ? -27.42819 -1.34919 -9.56952 1.000 48.21629 N ? A ? 17 N 1
   ATOM 124 CA . ALA A 30 ? -28.63965 -2.03252 -9.13448 1.000 51.15104 C ? A ? 17 CA 1
   ATOM 125 C . ALA A 30 ? -29.86760 -1.51690 -9.89386 1.000 63.36367 C ? A ? 17 C 1
   ATOM 126 O . ALA A 30 ? -30.84606 -2.25639 -10.04782 1.000 57.17100 O ? A ? 17 O 1
   ATOM 127 CB . ALA A 30 ? -28.81623 -1.88693 -7.62376 1.000 45.28800 C ? A ? 17 CB 1
   ATOM 128 N A THR A 31 ? -29.83744 -0.27061 -10.37526 0.464 59.65822 N ? A ? 18 N 1
   ATOM 129 CA A THR A 31 ? -30.93605 0.22139 -11.20785 0.464 59.08609 C ? A ? 18 CA 1
   ATOM 130 C A THR A 31 ? -31.04810 -0.58887 -12.49830 0.464 66.24340 C ? A ? 18 C 1
   ATOM 131 O A THR A 31 ? -32.15453 -0.89271 -12.96451 0.464 71.92622 O ? A ? 18 O 1
   ATOM 132 CB A THR A 31 ? -30.73464 1.70864 -11.53294 0.464 58.47156 C ? A ? 18 CB 1
   ATOM 133 OG1 A THR A 31 ? -30.57905 2.47226 -10.32417 0.464 57.69091 O ? A ? 18 OG1 1
   ATOM 134 CG2 A THR A 31 ? -31.90914 2.25680 -12.34063 0.464 65.16152 C ? A ? 18 CG2 1
   ATOM 135 N B THR A 31 ? -29.81068 -0.27890 -10.40199 0.536 59.68152 N ? A ? 18 N 1
   ATOM 136 CA B THR A 31 ? -30.87115 0.31850 -11.21210 0.536 59.09404 C ? A ? 18 CA 1
   ATOM 137 C B THR A 31 ? -30.72137 0.01143 -12.70387 0.536 62.59294 C ? A ? 18 C 1
   ATOM 138 O B THR A 31 ? -31.34546 0.68546 -13.53051 0.536 64.15917 O ? A ? 18 O 1
   ATOM 139 CB B THR A 31 ? -30.92832 1.84345 -10.99421 0.536 58.55412 C ? A ? 18 CB 1
   ATOM 140 OG1 B THR A 31 ? -30.02024 2.51798 -11.88309 0.536 59.82405 O ? A ? 18 OG1 1
   ATOM 141 CG2 B THR A 31 ? -30.56882 2.19944 -9.54985 0.536 55.62283 C ? A ? 18 CG2 1
   ATOM 142 N . LYS A 32 ? -29.90837 -0.97987 -13.06359 1.000 64.82936 N ? A ? 19 N 1
   ATOM 143 CA . LYS A 32 ? -29.82704 -1.47587 -14.43375 1.000 63.64944 C ? A ? 19 CA 1
   ATOM 144 C . LYS A 32 ? -29.55733 -2.98080 -14.45769 1.000 61.49029 C ? A ? 19 C 1
   ATOM 145 O . LYS A 32 ? -28.61716 -3.44362 -15.11255 1.000 58.64954 O ? A ? 19 O 1
   ATOM 146 CB . LYS A 32 ? -28.74341 -0.70726 -15.20609 1.000 64.28229 C ? A ? 19 CB 1
   ATOM 147 CG . LYS A 32 ? -28.94375 -0.66755 -16.74591 1.000 96.59734 C ? A ? 19 CG 1
   ATOM 148 CD . LYS A 32 ? -27.65661 -0.99868 -17.54580 1.000 93.08156 C ? A ? 19 CD 1
   ATOM 149 CE . LYS A 32 ? -27.90642 -1.12087 -19.06834 1.000 92.95636 C ? A ? 19 CE 1
   ATOM 150 NZ . LYS A 32 ? -26.73842 -1.68314 -19.84695 1.000 67.98814 N ? A ? 19 NZ 1
   ATOM 151 N . ASP A 33 ? -30.37670 -3.76191 -13.73567 1.000 63.72385 N ? A ? 20 N 1
   ATOM 152 CA . ASP A 33 ? -30.27854 -5.23827 -13.72707 1.000 70.82491 C ? A ? 20 CA 1
   ATOM 153 C . ASP A 33 ? -28.84063 -5.72940 -13.48575 1.000 58.50387 C ? A ? 20 C 1
   ATOM 154 O . ASP A 33 ? -28.36338 -6.68751 -14.11289 1.000 57.08876 O ? A ? 20 O 1
   ATOM 155 CB . ASP A 33 ? -30.85598 -5.83531 -15.02316 1.000 76.73661 C ? A ? 20 CB 1
   ATOM 156 CG . ASP A 33 ? -31.02095 -7.36664 -14.95622 1.000 102.22115 C ? A ? 20 CG 1
   ATOM 157 OD1 . ASP A 33 ? -31.76084 -7.86040 -14.07122 1.000 102.57051 O ? A ? 20 OD1 1
   ATOM 158 OD2 . ASP A 33 ? -30.40293 -8.07817 -15.78431 1.000 113.73206 O ? A ? 20 OD2 1
   ATOM 159 N . MET A 34 ? -28.13133 -5.05020 -12.57613 1.000 56.48737 N ? A ? 21 N 1
   ATOM 160 CA . MET A 34 ? -26.78695 -5.44996 -12.14376 1.000 48.10492 C ? A ? 21 CA 1
   ATOM 161 C . MET A 34 ? -25.79093 -5.48648 -13.29659 1.000 41.52475 C ? A ? 21 C 1
   ATOM 162 O . MET A 34 ? -24.79827 -6.21987 -13.25394 1.000 39.85190 O ? A ? 21 O 1
   ATOM 163 CB . MET A 34 ? -26.81393 -6.79408 -11.40555 1.000 48.32234 C ? A ? 21 CB 1
   ATOM 164 CG . MET A 34 ? -27.61101 -6.72492 -10.08839 1.000 48.03214 C ? A ? 21 CG 1
   ATOM 165 SD . MET A 34 ? -26.97484 -5.33006 -9.12557 1.000 51.29541 S ? A ? 21 SD 1
   ATOM 166 CE . MET A 34 ? -26.28420 -6.21319 -7.77521 1.000 80.15205 C ? A ? 21 CE 1
   ATOM 167 N A ALA A 35 ? -26.03897 -4.70738 -14.34387 0.453 43.47358 N ? A ? 22 N 1
   ATOM 168 CA A ALA A 35 ? -25.04110 -4.55486 -15.38720 0.453 37.73206 C ? A ? 22 CA 1
   ATOM 169 C A ALA A 35 ? -23.84097 -3.80596 -14.82821 0.453 34.58352 C ? A ? 22 C 1
   ATOM 170 O A ALA A 35 ? -23.98390 -2.87089 -14.03247 0.453 35.84214 O ? A ? 22 O 1
   ATOM 171 CB A ALA A 35 ? -25.61904 -3.81083 -16.58586 0.453 42.21062 C ? A ? 22 CB 1
   ATOM 172 N B ALA A 35 ? -26.03687 -4.70372 -14.34112 0.547 43.63347 N ? A ? 22 N 1
   ATOM 173 CA B ALA A 35 ? -25.04491 -4.58769 -15.39426 0.547 37.66726 C ? A ? 22 CA 1
   ATOM 174 C B ALA A 35 ? -23.81086 -3.87342 -14.85773 0.547 34.71391 C ? A ? 22 C 1
   ATOM 175 O B ALA A 35 ? -23.89792 -3.00127 -13.98674 0.547 35.56480 O ? A ? 22 O 1
   ATOM 176 CB B ALA A 35 ? -25.61087 -3.83223 -16.59215 0.547 42.39948 C ? A ? 22 CB 1
   ATOM 177 N A ILE A 36 ? -22.64890 -4.23662 -15.23132 0.453 35.08432 N ? A ? 23 N 1
   ATOM 178 CA A ILE A 36 ? -21.43522 -3.61938 -14.72333 0.453 33.57652 C ? A ? 23 CA 1
   ATOM 179 C A ILE A 36 ? -21.29426 -2.22670 -15.32437 0.453 32.25660 C ? A ? 23 C 1
   ATOM 180 O A ILE A 36 ? -21.29998 -2.04933 -16.55087 0.453 31.67928 O ? A ? 23 O 1
   ATOM 181 CB A ILE A 36 ? -20.21096 -4.48880 -15.03098 0.453 32.86659 C ? A ? 23 CB 1
   ATOM 182 CG1 A ILE A 36 ? -20.36547 -5.88061 -14.39656 0.453 36.40800 C ? A ? 23 CG1 1
   ATOM 183 CG2 A ILE A 36 ? -18.95632 -3.80420 -14.53468 0.453 30.00653 C ? A ? 23 CG2 1
   ATOM 184 CD1 A ILE A 36 ? -20.64103 -5.84076 -12.90563 0.453 32.78894 C ? A ? 23 CD1 1
   ATOM 185 N B ILE A 36 ? -22.64525 -4.27431 -15.36468 0.547 34.86474 N ? A ? 23 N 1
   ATOM 186 CA B ILE A 36 ? -21.41746 -3.60247 -14.97482 0.547 34.12901 C ? A ? 23 CA 1
   ATOM 187 C B ILE A 36 ? -21.49201 -2.15113 -15.41959 0.547 32.03812 C ? A ? 23 C 1
   ATOM 188 O B ILE A 36 ? -21.83181 -1.85008 -16.57597 0.547 32.43835 O ? A ? 23 O 1
   ATOM 189 CB B ILE A 36 ? -20.18890 -4.29587 -15.57671 0.547 38.14291 C ? A ? 23 CB 1
   ATOM 190 CG1 B ILE A 36 ? -19.89069 -5.60452 -14.82404 0.547 30.05438 C ? A ? 23 CG1 1
   ATOM 191 CG2 B ILE A 36 ? -18.98464 -3.35961 -15.51507 0.547 32.89318 C ? A ? 23 CG2 1
   ATOM 192 CD1 B ILE A 36 ? -18.87237 -6.48195 -15.52136 0.547 30.51533 C ? A ? 23 CD1 1
   ATOM 193 N A MET A 37 ? -21.19027 -1.22701 -14.45987 0.453 32.30681 N ? A ? 24 N 1
   ATOM 194 CA A MET A 37 ? -21.01201 0.13583 -14.91264 0.453 32.47396 C ? A ? 24 CA 1
   ATOM 195 C A MET A 37 ? -19.55965 0.57930 -14.85831 0.453 31.82720 C ? A ? 24 C 1
   ATOM 196 O A MET A 37 ? -19.19865 1.54725 -15.53227 0.453 32.77670 O ? A ? 24 O 1
   ATOM 197 CB A MET A 37 ? -21.89695 1.07776 -14.07777 0.453 38.79025 C ? A ? 24 CB 1
   ATOM 198 CG A MET A 37 ? -21.17289 1.75417 -12.92138 0.453 38.25833 C ? A ? 24 CG 1
   ATOM 199 SD A MET A 37 ? -22.27481 2.73307 -11.86383 0.453 59.54204 S ? A ? 24 SD 1
   ATOM 200 CE A MET A 37 ? -23.06102 1.40569 -10.98079 0.453 48.48049 C ? A ? 24 CE 1
   ATOM 201 N B MET A 37 ? -21.18814 -1.24448 -14.49432 0.547 32.37788 N ? A ? 24 N 1
   ATOM 202 CA B MET A 37 ? -21.06056 0.15609 -14.82268 0.547 32.02749 C ? A ? 24 CA 1
   ATOM 203 C B MET A 37 ? -19.64104 0.67730 -14.63092 0.547 31.37184 C ? A ? 24 C 1
   ATOM 204 O B MET A 37 ? -19.36978 1.81639 -15.01355 0.547 30.74957 O ? A ? 24 O 1
   ATOM 205 CB B MET A 37 ? -22.09747 0.98565 -14.01674 0.547 36.67349 C ? A ? 24 CB 1
   ATOM 206 CG B MET A 37 ? -21.93575 1.04855 -12.48743 0.547 42.07883 C ? A ? 24 CG 1
   ATOM 207 SD B MET A 37 ? -20.60859 2.12204 -11.87536 0.547 51.07438 S ? A ? 24 SD 1
   ATOM 208 CE B MET A 37 ? -20.87754 3.64148 -12.79674 0.547 37.75081 C ? A ? 24 CE 1
   ATOM 209 N . TYR A 38 ? -18.71068 -0.14949 -14.13399 1.000 30.19744 N ? A ? 25 N 1
   ATOM 210 CA . TYR A 38 ? -17.33617 0.25151 -13.87915 1.000 28.62436 C ? A ? 25 CA 1
   ATOM 211 C . TYR A 38 ? -16.48892 -1.00210 -13.66256 1.000 24.89543 C ? A ? 25 C 1
   ATOM 212 O . TYR A 38 ? -16.93016 -1.90841 -12.97558 1.000 25.46572 O ? A ? 25 O 1
   ATOM 213 CB . TYR A 38 ? -17.29419 1.10770 -12.61547 1.000 29.85934 C ? A ? 25 CB 1
   ATOM 214 CG . TYR A 38 ? -15.95224 1.66349 -12.36767 1.000 28.64096 C ? A ? 25 CG 1
   ATOM 215 CD1 . TYR A 38 ? -14.95924 0.91127 -11.71227 1.000 26.69723 C ? A ? 25 CD1 1
   ATOM 216 CD2 . TYR A 38 ? -15.64518 2.96360 -12.77777 1.000 29.73973 C ? A ? 25 CD2 1
   ATOM 217 CE1 . TYR A 38 ? -13.69058 1.43415 -11.48169 1.000 27.16372 C ? A ? 25 CE1 1
   ATOM 218 CE2 . TYR A 38 ? -14.35533 3.49799 -12.55158 1.000 28.08504 C ? A ? 25 CE2 1
   ATOM 219 CZ . TYR A 38 ? -13.41631 2.74255 -11.91093 1.000 28.14533 C ? A ? 25 CZ 1
   ATOM 220 OH . TYR A 38 ? -12.18510 3.29858 -11.72884 1.000 28.36237 O ? A ? 25 OH 1
   ATOM 221 N . ALA A 39 ? -15.24397 -1.00825 -14.14117 1.000 24.00535 N ? A ? 26 N 1
   ATOM 222 CA . ALA A 39 ? -14.31800 -2.10578 -13.89928 1.000 24.61083 C ? A ? 26 CA 1
   ATOM 223 C . ALA A 39 ? -12.94522 -1.49135 -13.67047 1.000 25.56285 C ? A ? 26 C 1
   ATOM 224 O . ALA A 39 ? -12.54606 -0.55587 -14.37951 1.000 23.60832 O ? A ? 26 O 1
   ATOM 225 CB . ALA A 39 ? -14.26357 -3.09989 -15.08973 1.000 21.96427 C ? A ? 26 CB 1
   ATOM 226 N . SER A 40 ? -12.22461 -2.00020 -12.68719 1.000 25.17808 N ? A ? 27 N 1
   ATOM 227 CA . SER A 40 ? -10.91379 -1.46290 -12.34585 1.000 26.53830 C ? A ? 27 CA 1
   ATOM 228 C . SER A 40 ? -9.83989 -1.97008 -13.31196 1.000 27.76875 C ? A ? 27 C 1
   ATOM 229 O . SER A 40 ? -10.04470 -2.89099 -14.10922 1.000 23.64995 O ? A ? 27 O 1
   ATOM 230 CB . SER A 40 ? -10.52586 -1.84793 -10.90318 1.000 27.73477 C ? A ? 27 CB 1
   ATOM 231 OG . SER A 40 ? -10.09497 -3.25080 -10.82362 1.000 27.14647 O ? A ? 27 OG 1
   ATOM 232 N . ALA A 41 ? -8.64100 -1.39156 -13.19442 1.000 24.61384 N ? A ? 28 N 1
   ATOM 233 CA . ALA A 41 ? -7.57028 -1.78643 -14.09644 1.000 28.97049 C ? A ? 28 CA 1
   ATOM 234 C . ALA A 41 ? -7.25126 -3.24988 -13.90910 1.000 28.14973 C ? A ? 28 C 1
   ATOM 235 O . ALA A 41 ? -6.95276 -3.97176 -14.87731 1.000 27.67460 O ? A ? 28 O 1
   ATOM 236 CB . ALA A 41 ? -6.33147 -0.95035 -13.84513 1.000 28.94336 C ? A ? 28 CB 1
   ATOM 237 N A GLY A 42 ? -7.30945 -3.72150 -12.66474 0.220 27.91242 N ? A ? 29 N 1
   ATOM 238 CA A GLY A 42 ? -6.96492 -5.10408 -12.39125 0.220 29.20437 C ? A ? 29 CA 1
   ATOM 239 C A GLY A 42 ? -7.96671 -6.09654 -12.94806 0.220 30.68857 C ? A ? 29 C 1
   ATOM 240 O A GLY A 42 ? -7.62864 -7.25852 -13.17600 0.220 28.90281 O ? A ? 29 O 1
   ATOM 241 N B GLY A 42 ? -7.29573 -3.71443 -12.67008 0.780 27.54803 N ? A ? 29 N 1
   ATOM 242 CA B GLY A 42 ? -6.95355 -5.10007 -12.42777 0.780 29.15859 C ? A ? 29 CA 1
   ATOM 243 C B GLY A 42 ? -7.94980 -6.06959 -13.03385 0.780 30.17751 C ? A ? 29 C 1
   ATOM 244 O B GLY A 42 ? -7.59554 -7.20401 -13.34033 0.780 28.70974 O ? A ? 29 O 1
   ATOM 245 N . PHE A 43 ? -9.21448 -5.67252 -13.14678 1.000 25.10492 N ? A ? 30 N 1
   ATOM 246 CA . PHE A 43 ? -10.19075 -6.56808 -13.73340 1.000 26.38360 C ? A ? 30 CA 1
   ATOM 247 C . PHE A 43 ? -9.85382 -6.82509 -15.17203 1.000 27.94371 C ? A ? 30 C 1
   ATOM 248 O . PHE A 43 ? -9.87263 -7.97199 -15.62748 1.000 23.27367 O ? A ? 30 O 1
   ATOM 249 CB . PHE A 43 ? -11.59826 -5.98693 -13.63883 1.000 24.60372 C ? A ? 30 CB 1
   ATOM 250 CG . PHE A 43 ? -12.65982 -6.91162 -14.15727 1.000 25.10406 C ? A ? 30 CG 1
   ATOM 251 CD1 . PHE A 43 ? -13.19746 -7.91133 -13.32753 1.000 25.92910 C ? A ? 30 CD1 1
   ATOM 252 CD2 . PHE A 43 ? -13.09554 -6.80946 -15.46618 1.000 25.92196 C ? A ? 30 CD2 1
   ATOM 253 CE1 . PHE A 43 ? -14.21458 -8.71329 -13.78940 1.000 24.79265 C ? A ? 30 CE1 1
   ATOM 254 CE2 . PHE A 43 ? -14.10361 -7.60785 -15.96168 1.000 25.77104 C ? A ? 30 CE2 1
   ATOM 255 CZ . PHE A 43 ? -14.67064 -8.57890 -15.12184 1.000 25.37517 C ? A ? 30 CZ 1
   ATOM 256 N . TYR A 44 ? -9.53274 -5.75635 -15.90907 1.000 24.23715 N ? A ? 31 N 1
   ATOM 257 CA . TYR A 44 ? -9.17767 -5.89876 -17.31809 1.000 25.85807 C ? A ? 31 CA 1
   ATOM 258 C . TYR A 44 ? -7.93054 -6.71628 -17.44126 1.000 29.47542 C ? A ? 31 C 1
   ATOM 259 O . TYR A 44 ? -7.77359 -7.51235 -18.37761 1.000 28.51339 O ? A ? 31 O 1
   ATOM 260 CB . TYR A 44 ? -8.95623 -4.52353 -17.97402 1.000 25.41836 C ? A ? 31 CB 1
   ATOM 261 CG . TYR A 44 ? -10.22365 -3.67403 -18.02359 1.000 26.21494 C ? A ? 31 CG 1
   ATOM 262 CD1 . TYR A 44 ? -11.40967 -4.18985 -18.51573 1.000 25.54079 C ? A ? 31 CD1 1
   ATOM 263 CD2 . TYR A 44 ? -10.22180 -2.35364 -17.58300 1.000 25.22355 C ? A ? 31 CD2 1
   ATOM 264 CE1 . TYR A 44 ? -12.57757 -3.44127 -18.55098 1.000 24.80670 C ? A ? 31 CE1 1
   ATOM 265 CE2 . TYR A 44 ? -11.38954 -1.59447 -17.62601 1.000 23.89750 C ? A ? 31 CE2 1
   ATOM 266 CZ . TYR A 44 ? -12.54340 -2.12908 -18.10849 1.000 26.18672 C ? A ? 31 CZ 1
   ATOM 267 OH . TYR A 44 ? -13.71280 -1.39434 -18.13258 1.000 22.31285 O ? A ? 31 OH 1
   ATOM 268 N . GLU A 45 ? -7.01087 -6.53888 -16.51732 1.000 28.63729 N ? A ? 32 N 1
   ATOM 269 CA . GLU A 45 ? -5.75670 -7.27227 -16.66230 1.000 33.35210 C ? A ? 32 CA 1
   ATOM 270 C . GLU A 45 ? -5.96933 -8.74588 -16.32671 1.000 31.08942 C ? A ? 32 C 1
   ATOM 271 O . GLU A 45 ? -5.43902 -9.62367 -17.00678 1.000 32.02357 O ? A ? 32 O 1
   ATOM 272 CB . GLU A 45 ? -4.67377 -6.66563 -15.76354 1.000 40.49275 C ? A ? 32 CB 1
   ATOM 273 CG . GLU A 45 ? -3.23665 -6.99935 -16.13203 1.000 60.30917 C ? A ? 32 CG 1
   ATOM 274 CD . GLU A 45 ? -2.23640 -6.51828 -15.07071 1.000 94.19866 C ? A ? 32 CD 1
   ATOM 275 OE1 . GLU A 45 ? -1.43854 -7.34458 -14.57360 1.000 90.35020 O ? A ? 32 OE1 1
   ATOM 276 OE2 . GLU A 45 ? -2.25067 -5.31431 -14.72383 1.000 105.08163 O ? A ? 32 OE2 1
   ATOM 277 N . MET A 46 ? -6.72114 -9.03306 -15.26784 1.000 29.82237 N ? A ? 33 N 1
   ATOM 278 CA . MET A 46 ? -6.98730 -10.43646 -14.87860 1.000 29.94278 C ? A ? 33 CA 1
   ATOM 279 C . MET A 46 ? -7.80322 -11.15840 -15.93661 1.000 32.79197 C ? A ? 33 C 1
   ATOM 280 O . MET A 46 ? -7.54778 -12.33372 -16.25495 1.000 26.68388 O ? A ? 33 O 1
   ATOM 281 CB . MET A 46 ? -7.73341 -10.48042 -13.52999 1.000 30.28646 C ? A ? 33 CB 1
   ATOM 282 CG . MET A 46 ? -8.29770 -11.89944 -13.11185 1.000 30.19288 C ? A ? 33 CG 1
   ATOM 283 SD . MET A 46 ? -9.35515 -11.80647 -11.64445 1.000 32.89983 S ? A ? 33 SD 1
   ATOM 284 CE . MET A 46 ? -8.15187 -11.23562 -10.43401 1.000 59.75528 C ? A ? 33 CE 1
   ATOM 285 N . THR A 47 ? -8.82308 -10.50861 -16.47281 1.000 24.73727 N ? A ? 34 N 1
   ATOM 286 CA . THR A 47 ? -9.71964 -11.30799 -17.30753 1.000 28.77812 C ? A ? 34 CA 1
   ATOM 287 C . THR A 47 ? -9.37234 -11.23192 -18.77305 1.000 29.12343 C ? A ? 34 C 1
   ATOM 288 O . THR A 47 ? -9.93750 -12.00534 -19.56255 1.000 26.39454 O ? A ? 34 O 1
   ATOM 289 CB . THR A 47 ? -11.17047 -10.86361 -17.16404 1.000 25.90107 C ? A ? 34 CB 1
   ATOM 290 OG1 . THR A 47 ? -11.27345 -9.50154 -17.65703 1.000 23.91167 O ? A ? 34 OG1 1
   ATOM 291 CG2 . THR A 47 ? -11.63146 -10.92658 -15.67795 1.000 26.01394 C ? A ? 34 CG2 1
   ATOM 292 N . GLN A 48 ? -8.50775 -10.28944 -19.15539 1.000 28.96289 N ? A ? 35 N 1
   ATOM 293 CA . GLN A 48 ? -8.09212 -9.99276 -20.53322 1.000 29.44060 C ? A ? 35 CA 1
   ATOM 294 C . GLN A 48 ? -9.17698 -9.33996 -21.37498 1.000 31.47759 C ? A ? 35 C 1
   ATOM 295 O . GLN A 48 ? -8.92579 -9.06413 -22.54250 1.000 33.25914 O ? A ? 35 O 1
   ATOM 296 CB . GLN A 48 ? -7.60981 -11.24141 -21.30028 1.000 30.09675 C ? A ? 35 CB 1
   ATOM 297 CG . GLN A 48 ? -6.52291 -12.01842 -20.60698 1.000 29.77556 C ? A ? 35 CG 1
   ATOM 298 CD . GLN A 48 ? -6.36880 -13.40941 -21.22476 1.000 32.19220 C ? A ? 35 CD 1
   ATOM 299 OE1 . GLN A 48 ? -7.11323 -13.78304 -22.13679 1.000 31.22224 O ? A ? 35 OE1 1
   ATOM 300 NE2 . GLN A 48 ? -5.40477 -14.17155 -20.73666 1.000 32.09381 N ? A ? 35 NE2 1
   ATOM 301 N . TYR A 49 ? -10.38546 -9.12772 -20.84943 1.000 29.21665 N ? A ? 36 N 1
   ATOM 302 CA . TYR A 49 ? -11.36775 -8.38517 -21.60836 1.000 30.51973 C ? A ? 36 CA 1
   ATOM 303 C . TYR A 49 ? -11.06462 -6.89463 -21.52806 1.000 29.66433 C ? A ? 36 C 1
   ATOM 304 O . TYR A 49 ? -10.20328 -6.43699 -20.77026 1.000 29.78943 O ? A ? 36 O 1
   ATOM 305 CB . TYR A 49 ? -12.77676 -8.63643 -21.07510 1.000 30.45970 C ? A ? 36 CB 1
   ATOM 306 CG . TYR A 49 ? -13.28802 -10.02834 -21.36559 1.000 30.44546 C ? A ? 36 CG 1
   ATOM 307 CD1 . TYR A 49 ? -13.89488 -10.32747 -22.60266 1.000 34.31830 C ? A ? 36 CD1 1
   ATOM 308 CD2 . TYR A 49 ? -13.16531 -11.05238 -20.42775 1.000 29.70176 C ? A ? 36 CD2 1
   ATOM 309 CE1 . TYR A 49 ? -14.37719 -11.59817 -22.88757 1.000 34.42444 C ? A ? 36 CE1 1
   ATOM 310 CE2 . TYR A 49 ? -13.64507 -12.33592 -20.71648 1.000 29.90605 C ? A ? 36 CE2 1
   ATOM 311 CZ . TYR A 49 ? -14.22072 -12.59577 -21.95985 1.000 32.70465 C ? A ? 36 CZ 1
   ATOM 312 OH . TYR A 49 ? -14.71292 -13.83831 -22.25205 1.000 30.46027 O ? A ? 36 OH 1
   ATOM 313 N . GLY A 50 ? -11.80086 -6.13180 -22.30844 1.000 28.68159 N ? A ? 37 N 1
   ATOM 314 CA . GLY A 50 ? -11.59104 -4.70075 -22.33838 1.000 31.10125 C ? A ? 37 CA 1
   ATOM 315 C . GLY A 50 ? -12.90164 -4.01222 -22.10519 1.000 31.19924 C ? A ? 37 C 1
   ATOM 316 O . GLY A 50 ? -13.96892 -4.62951 -22.08469 1.000 27.75909 O ? A ? 37 O 1
   ATOM 317 N . PRO A 51 ? -12.85336 -2.68071 -21.94256 1.000 29.41706 N ? A ? 38 N 1
   ATOM 318 CA . PRO A 51 ? -14.07269 -1.97257 -21.56767 1.000 29.07857 C ? A ? 38 CA 1
   ATOM 319 C . PRO A 51 ? -15.16633 -2.11652 -22.60683 1.000 33.95556 C ? A ? 38 C 1
   ATOM 320 O . PRO A 51 ? -16.35648 -2.10946 -22.26841 1.000 33.30266 O ? A ? 38 O 1
   ATOM 321 CB . PRO A 51 ? -13.59137 -0.50673 -21.40538 1.000 27.98881 C ? A ? 38 CB 1
   ATOM 322 CG . PRO A 51 ? -12.18796 -0.45408 -22.09642 1.000 28.85442 C ? A ? 38 CG 1
   ATOM 323 CD . PRO A 51 ? -11.64035 -1.84127 -21.92966 1.000 29.26266 C ? A ? 38 CD 1
   ATOM 324 N . GLU A 52 ? -14.80584 -2.25035 -23.87858 1.000 34.66141 N ? A ? 39 N 1
   ATOM 325 CA . GLU A 52 ? -15.84444 -2.39100 -24.87958 1.000 39.96378 C ? A ? 39 CA 1
   ATOM 326 C . GLU A 52 ? -16.52617 -3.75077 -24.78371 1.000 41.01494 C ? A ? 39 C 1
   ATOM 327 O . GLU A 52 ? -17.66672 -3.88576 -25.21617 1.000 41.45902 O ? A ? 39 O 1
   ATOM 328 CB . GLU A 52 ? -15.26620 -2.13361 -26.27349 1.000 44.55643 C ? A ? 39 CB 1
   ATOM 329 CG . GLU A 52 ? -14.31515 -3.19851 -26.79458 1.000 53.81085 C ? A ? 39 CG 1
   ATOM 330 CD . GLU A 52 ? -12.85722 -2.99867 -26.37128 1.000 72.01114 C ? A ? 39 CD 1
   ATOM 331 OE1 . GLU A 52 ? -12.56800 -2.17121 -25.46994 1.000 50.95803 O ? A ? 39 OE1 1
   ATOM 332 OE2 . GLU A 52 ? -11.99175 -3.68753 -26.95290 1.000 85.00580 O ? A ? 39 OE2 1
   ATOM 333 N . ASP A 53 ? -15.87837 -4.74730 -24.17383 1.000 38.52061 N ? A ? 40 N 1
   ATOM 334 CA . ASP A 53 ? -16.57225 -6.00296 -23.87069 1.000 39.43405 C ? A ? 40 CA 1
   ATOM 335 C . ASP A 53 ? -17.33508 -5.98252 -22.55421 1.000 38.89277 C ? A ? 40 C 1
   ATOM 336 O . ASP A 53 ? -18.29976 -6.72573 -22.39811 1.000 43.52127 O ? A ? 40 O 1
   ATOM 337 CB . ASP A 53 ? -15.56790 -7.15019 -23.78396 1.000 39.40843 C ? A ? 40 CB 1
   ATOM 338 CG . ASP A 53 ? -14.67973 -7.25637 -25.00827 1.000 41.00460 C ? A ? 40 CG 1
   ATOM 339 OD1 . ASP A 53 ? -15.24724 -7.23761 -26.12622 1.000 48.97737 O ? A ? 40 OD1 1
   ATOM 340 OD2 . ASP A 53 ? -13.43101 -7.38309 -24.83915 1.000 40.16561 O ? A ? 40 OD2 1
   ATOM 341 N . VAL A 54 ? -16.87798 -5.22888 -21.56267 1.000 34.78567 N ? A ? 41 N 1
   ATOM 342 CA . VAL A 54 ? -17.32876 -5.40734 -20.17892 1.000 32.97393 C ? A ? 41 CA 1
   ATOM 343 C . VAL A 54 ? -18.43398 -4.42980 -19.81358 1.000 32.49162 C ? A ? 41 C 1
   ATOM 344 O . VAL A 54 ? -19.41279 -4.78713 -19.15539 1.000 32.01832 O ? A ? 41 O 1
   ATOM 345 CB . VAL A 54 ? -16.12761 -5.22938 -19.22157 1.000 29.63813 C ? A ? 41 CB 1
   ATOM 346 CG1 . VAL A 54 ? -16.61827 -5.23184 -17.80173 1.000 29.05931 C ? A ? 41 CG1 1
   ATOM 347 CG2 . VAL A 54 ? -15.10439 -6.30673 -19.45020 1.000 30.18873 C ? A ? 41 CG2 1
   ATOM 348 N . ILE A 55 ? -18.23074 -3.14872 -20.13202 1.000 31.60504 N ? A ? 42 N 1
   ATOM 349 CA . ILE A 55 ? -19.11362 -2.13266 -19.60489 1.000 32.50887 C ? A ? 42 CA 1
   ATOM 350 C . ILE A 55 ? -20.49822 -2.35781 -20.20281 1.000 34.05927 C ? A ? 42 C 1
   ATOM 351 O . ILE A 55 ? -20.64793 -2.50147 -21.42232 1.000 33.86532 O ? A ? 42 O 1
   ATOM 352 CB . ILE A 55 ? -18.57967 -0.72453 -19.90519 1.000 31.84109 C ? A ? 42 CB 1
   ATOM 353 CG1 . ILE A 55 ? -17.22067 -0.53809 -19.23283 1.000 30.66327 C ? A ? 42 CG1 1
   ATOM 354 CG2 . ILE A 55 ? -19.56473 0.34355 -19.30724 1.000 30.90857 C ? A ? 42 CG2 1
   ATOM 355 CD1 . ILE A 55 ? -17.36681 -0.50327 -17.69539 1.000 29.61830 C ? A ? 42 CD1 1
   ATOM 356 N A GLY A 56 ? -21.50407 -2.42939 -19.33923 0.255 34.09351 N ? A ? 43 N 1
   ATOM 357 CA A GLY A 56 ? -22.85894 -2.66273 -19.79036 0.255 35.83944 C ? A ? 43 CA 1
   ATOM 358 C A GLY A 56 ? -23.27370 -4.11330 -19.86430 0.255 35.00783 C ? A ? 43 C 1
   ATOM 359 O A GLY A 56 ? -24.40461 -4.39301 -20.27919 0.255 41.23954 O ? A ? 43 O 1
   ATOM 360 N B GLY A 56 ? -21.50273 -2.42591 -19.33402 0.745 34.40044 N ? A ? 43 N 1
   ATOM 361 CA B GLY A 56 ? -22.87377 -2.66406 -19.75449 0.745 35.99444 C ? A ? 43 CA 1
   ATOM 362 C B GLY A 56 ? -23.32973 -4.09849 -19.62292 0.745 35.74221 C ? A ? 43 C 1
   ATOM 363 O B GLY A 56 ? -24.53700 -4.34896 -19.63697 0.745 40.36029 O ? A ? 43 O 1
   ATOM 364 N . LYS A 57 ? -22.40614 -5.04746 -19.48612 1.000 35.99338 N ? A ? 44 N 1
   ATOM 365 CA . LYS A 57 ? -22.77192 -6.45145 -19.43561 1.000 36.99261 C ? A ? 44 CA 1
   ATOM 366 C . LYS A 57 ? -22.87535 -6.91292 -17.98933 1.000 36.40608 C ? A ? 44 C 1
   ATOM 367 O . LYS A 57 ? -22.25869 -6.34523 -17.08727 1.000 38.85761 O ? A ? 44 O 1
   ATOM 368 CB . LYS A 57 ? -21.77008 -7.30159 -20.20491 1.000 38.38937 C ? A ? 44 CB 1
   ATOM 369 CG . LYS A 57 ? -21.53235 -6.74523 -21.61205 1.000 42.90144 C ? A ? 44 CG 1
   ATOM 370 CD . LYS A 57 ? -21.09366 -7.78766 -22.62958 1.000 63.88382 C ? A ? 44 CD 1
   ATOM 371 CE . LYS A 57 ? -21.24218 -7.25287 -24.07669 1.000 61.08344 C ? A ? 44 CE 1
   ATOM 372 NZ . LYS A 57 ? -20.42129 -6.05403 -24.49778 1.000 69.20040 N ? A ? 44 NZ 1
   ATOM 373 N . ASN A 58 ? -23.70230 -7.92489 -17.77555 1.000 37.66157 N ? A ? 45 N 1
   ATOM 374 CA . ASN A 58 ? -23.69440 -8.64298 -16.51783 1.000 39.61223 C ? A ? 45 CA 1
   ATOM 375 C . ASN A 58 ? -22.45939 -9.54158 -16.45459 1.000 38.42489 C ? A ? 45 C 1
   ATOM 376 O . ASN A 58 ? -22.05999 -10.15789 -17.44603 1.000 36.33464 O ? A ? 45 O 1
   ATOM 377 CB . ASN A 58 ? -24.97408 -9.46087 -16.38504 1.000 39.75400 C ? A ? 45 CB 1
   ATOM 378 CG . ASN A 58 ? -25.02366 -10.23025 -15.12331 1.000 43.83296 C ? A ? 45 CG 1
   ATOM 379 OD1 . ASN A 58 ? -24.30301 -11.20524 -14.96253 1.000 55.43109 O ? A ? 45 OD1 1
   ATOM 380 ND2 . ASN A 58 ? -25.87940 -9.81289 -14.20964 1.000 60.16607 N ? A ? 45 ND2 1
   ATOM 381 N . CYS A 59 ? -21.86875 -9.62997 -15.27504 1.000 35.94301 N ? A ? 46 N 1
   ATOM 382 CA . CYS A 59 ? -20.56680 -10.27072 -15.06048 1.000 35.28989 C ? A ? 46 CA 1
   ATOM 383 C . CYS A 59 ? -20.58142 -11.79145 -15.26346 1.000 38.63658 C ? A ? 46 C 1
   ATOM 384 O . CYS A 59 ? -19.53777 -12.45638 -15.20342 1.000 34.97137 O ? A ? 46 O 1
   ATOM 385 CB . CYS A 59 ? -20.10269 -9.88357 -13.65349 1.000 32.71190 C ? A ? 46 CB 1
   ATOM 386 SG . CYS A 59 ? -18.41108 -9.44014 -13.64022 1.000 42.91516 S ? A ? 46 SG 1
   ATOM 387 N . LYS A 60 ? -21.73302 -12.36036 -15.56203 1.000 36.44507 N ? A ? 47 N 1
   ATOM 388 CA . LYS A 60 ? -21.82766 -13.78904 -15.80086 1.000 35.69891 C ? A ? 47 CA 1
   ATOM 389 C . LYS A 60 ? -21.22688 -14.23232 -17.13158 1.000 33.50869 C ? A ? 47 C 1
   ATOM 390 O . LYS A 60 ? -21.18143 -15.43244 -17.37615 1.000 29.95902 O ? A ? 47 O 1
   ATOM 391 CB . LYS A 60 ? -23.29038 -14.19782 -15.77875 1.000 36.29372 C ? A ? 47 CB 1
   ATOM 392 CG . LYS A 60 ? -23.93286 -13.81671 -17.09468 1.000 40.47497 C ? A ? 47 CG 1
   ATOM 393 CD . LYS A 60 ? -25.38488 -14.21977 -17.10571 1.000 47.88864 C ? A ? 47 CD 1
   ATOM 394 CE . LYS A 60 ? -26.05045 -13.88574 -15.78421 1.000 48.80339 C ? A ? 47 CE 1
   ATOM 395 NZ . LYS A 60 ? -27.52011 -13.74821 -15.97056 1.000 69.66294 N ? A ? 47 NZ 1
   ATOM 396 N . PHE A 61 ? -20.77731 -13.32753 -18.00786 1.000 31.51340 N ? A ? 48 N 1
   ATOM 397 CA . PHE A 61 ? -19.99870 -13.77268 -19.16644 1.000 32.24013 C ? A ? 48 CA 1
   ATOM 398 C . PHE A 61 ? -18.66863 -14.43726 -18.78356 1.000 29.33439 C ? A ? 48 C 1
   ATOM 399 O . PHE A 61 ? -18.01401 -15.03804 -19.64274 1.000 27.17328 O ? A ? 48 O 1
   ATOM 400 CB . PHE A 61 ? -19.71750 -12.59714 -20.10753 1.000 32.93687 C ? A ? 48 CB 1
   ATOM 401 CG . PHE A 61 ? -18.84117 -11.52406 -19.50247 1.000 32.68067 C ? A ? 48 CG 1
   ATOM 402 CD1 . PHE A 61 ? -17.45129 -11.60859 -19.56497 1.000 31.19878 C ? A ? 48 CD1 1
   ATOM 403 CD2 . PHE A 61 ? -19.40348 -10.42140 -18.87018 1.000 32.77229 C ? A ? 48 CD2 1
   ATOM 404 CE1 . PHE A 61 ? -16.64889 -10.61288 -19.01356 1.000 29.58584 C ? A ? 48 CE1 1
   ATOM 405 CE2 . PHE A 61 ? -18.58837 -9.41754 -18.31327 1.000 32.56589 C ? A ? 48 CE2 1
   ATOM 406 CZ . PHE A 61 ? -17.21757 -9.53330 -18.35395 1.000 30.42000 C ? A ? 48 CZ 1
   ATOM 407 N . LEU A 62 ? -18.20971 -14.28306 -17.53894 1.000 26.91243 N ? A ? 49 N 1
   ATOM 408 CA . LEU A 62 ? -17.03713 -15.00386 -17.07940 1.000 25.99405 C ? A ? 49 CA 1
   ATOM 409 C . LEU A 62 ? -17.32896 -16.47537 -16.80675 1.000 25.94388 C ? A ? 49 C 1
   ATOM 410 O . LEU A 62 ? -16.39074 -17.26270 -16.72857 1.000 23.68972 O ? A ? 49 O 1
   ATOM 411 CB . LEU A 62 ? -16.50282 -14.35811 -15.80115 1.000 25.87239 C ? A ? 49 CB 1
   ATOM 412 CG . LEU A 62 ? -15.98018 -12.90448 -15.97770 1.000 26.04007 C ? A ? 49 CG 1
   ATOM 413 CD1 . LEU A 62 ? -15.60148 -12.34811 -14.63282 1.000 26.13865 C ? A ? 49 CD1 1
   ATOM 414 CD2 . LEU A 62 ? -14.78385 -12.89812 -16.86550 1.000 26.11168 C ? A ? 49 CD2 1
   ATOM 415 N . GLN A 63 ? -18.57594 -16.83100 -16.59299 1.000 24.11228 N ? A ? 50 N 1
   ATOM 416 CA . GLN A 63 ? -18.90690 -18.17854 -16.17935 1.000 28.81963 C ? A ? 50 CA 1
   ATOM 417 C . GLN A 63 ? -18.88137 -19.12193 -17.36744 1.000 28.46246 C ? A ? 50 C 1
   ATOM 418 O . GLN A 63 ? -18.96427 -18.72174 -18.53157 1.000 26.98440 O ? A ? 50 O 1
   ATOM 419 CB . GLN A 63 ? -20.26873 -18.18687 -15.50371 1.000 28.26315 C ? A ? 50 CB 1
   ATOM 420 CG . GLN A 63 ? -20.22876 -17.48043 -14.12183 1.000 26.71950 C ? A ? 50 CG 1
   ATOM 421 CD . GLN A 63 ? -21.60174 -17.07534 -13.68734 1.000 31.56887 C ? A ? 50 CD 1
   ATOM 422 OE1 . GLN A 63 ? -22.57673 -17.61119 -14.17914 1.000 31.01408 O ? A ? 50 OE1 1
   ATOM 423 NE2 . GLN A 63 ? -21.69577 -16.13139 -12.75038 1.000 29.88592 N ? A ? 50 NE2 1
   ATOM 424 N . GLY A 64 ? -18.77196 -20.40342 -17.07128 1.000 28.16035 N ? A ? 51 N 1
   ATOM 425 CA . GLY A 64 ? -18.57060 -21.34097 -18.14500 1.000 28.09328 C ? A ? 51 CA 1
   ATOM 426 C . GLY A 64 ? -18.73197 -22.77529 -17.69910 1.000 29.38200 C ? A ? 51 C 1
   ATOM 427 O . GLY A 64 ? -19.36226 -23.05896 -16.69260 1.000 27.69413 O ? A ? 51 O 1
   ATOM 428 N . PRO A 65 ? -18.12947 -23.69873 -18.45475 1.000 28.47832 N ? A ? 52 N 1
   ATOM 429 CA . PRO A 65 ? -18.15139 -25.12024 -18.08226 1.000 28.48950 C ? A ? 52 CA 1
   ATOM 430 C . PRO A 65 ? -17.70766 -25.33880 -16.64753 1.000 28.85685 C ? A ? 52 C 1
   ATOM 431 O . PRO A 65 ? -16.64017 -24.85830 -16.20478 1.000 25.61568 O ? A ? 52 O 1
   ATOM 432 CB . PRO A 65 ? -17.16847 -25.76647 -19.07830 1.000 27.25018 C ? A ? 52 CB 1
   ATOM 433 CG . PRO A 65 ? -17.35629 -24.98033 -20.30763 1.000 30.78373 C ? A ? 52 CG 1
   ATOM 434 CD . PRO A 65 ? -17.58167 -23.49745 -19.80832 1.000 29.06967 C ? A ? 52 CD 1
   ATOM 435 N . GLY A 66 ? -18.53568 -26.07728 -15.92117 1.000 30.53597 N ? A ? 53 N 1
   ATOM 436 CA . GLY A 66 ? -18.19983 -26.45199 -14.57806 1.000 30.90056 C ? A ? 53 CA 1
   ATOM 437 C . GLY A 66 ? -18.34440 -25.38611 -13.52544 1.000 39.77811 C ? A ? 53 C 1
   ATOM 438 O . GLY A 66 ? -18.06589 -25.68406 -12.36068 1.000 29.63686 O ? A ? 53 O 1
   ATOM 439 N . THR A 67 ? -18.74643 -24.15691 -13.88028 1.000 29.73716 N ? A ? 54 N 1
   ATOM 440 CA . THR A 67 ? -19.07265 -23.17454 -12.85154 1.000 30.25603 C ? A ? 54 CA 1
   ATOM 441 C . THR A 67 ? -20.19256 -23.75247 -11.98394 1.000 31.76713 C ? A ? 54 C 1
   ATOM 442 O . THR A 67 ? -21.18708 -24.25198 -12.49910 1.000 31.78933 O ? A ? 54 O 1
   ATOM 443 CB . THR A 67 ? -19.50740 -21.84737 -13.51298 1.000 28.37355 C ? A ? 54 CB 1
   ATOM 444 OG1 . THR A 67 ? -18.44431 -21.31798 -14.33639 1.000 25.92753 O ? A ? 54 OG1 1
   ATOM 445 CG2 . THR A 67 ? -19.90705 -20.78579 -12.48761 1.000 29.68301 C ? A ? 54 CG2 1
   ATOM 446 N . ASP A 68 ? -20.03286 -23.68085 -10.66186 1.000 32.48595 N ? A ? 55 N 1
   ATOM 447 CA . ASP A 68 ? -20.93640 -24.34458 -9.71911 1.000 35.23872 C ? A ? 55 CA 1
   ATOM 448 C . ASP A 68 ? -22.26112 -23.59923 -9.66103 1.000 36.91535 C ? A ? 55 C 1
   ATOM 449 O . ASP A 68 ? -22.31695 -22.46177 -9.17214 1.000 34.27748 O ? A ? 55 O 1
   ATOM 450 CB . ASP A 68 ? -20.27087 -24.35236 -8.34675 1.000 37.47200 C ? A ? 55 CB 1
   ATOM 451 CG . ASP A 68 ? -21.01761 -25.16088 -7.31557 1.000 46.02524 C ? A ? 55 CG 1
   ATOM 452 OD1 . ASP A 68 ? -20.33803 -25.84810 -6.52552 1.000 79.81514 O ? A ? 55 OD1 1
   ATOM 453 OD2 . ASP A 68 ? -22.25730 -25.10921 -7.26969 1.000 52.58830 O ? A ? 55 OD2 1
   ATOM 454 N A THR A 69 ? -23.34302 -24.23065 -10.11642 0.541 37.27237 N ? A ? 56 N 1
   ATOM 455 CA A THR A 69 ? -24.63442 -23.53496 -10.13805 0.541 39.04698 C ? A ? 56 CA 1
   ATOM 456 C A THR A 69 ? -25.15147 -23.19523 -8.73354 0.541 35.61256 C ? A ? 56 C 1
   ATOM 457 O A THR A 69 ? -25.88342 -22.21263 -8.57208 0.541 36.06251 O ? A ? 56 O 1
   ATOM 458 CB A THR A 69 ? -25.68154 -24.36218 -10.89551 0.541 37.48716 C ? A ? 56 CB 1
   ATOM 459 OG1 A THR A 69 ? -26.93418 -23.67127 -10.87172 0.541 53.85792 O ? A ? 56 OG1 1
   ATOM 460 CG2 A THR A 69 ? -25.89241 -25.70437 -10.24707 0.541 40.37114 C ? A ? 56 CG2 1
   ATOM 461 N B THR A 69 ? -23.32806 -24.26582 -10.10595 0.459 37.19781 N ? A ? 56 N 1
   ATOM 462 CA B THR A 69 ? -24.65730 -23.65396 -10.14216 0.459 39.07295 C ? A ? 56 CA 1
   ATOM 463 C B THR A 69 ? -25.13400 -23.21541 -8.75359 0.459 35.44014 C ? A ? 56 C 1
   ATOM 464 O B THR A 69 ? -25.81303 -22.18942 -8.62180 0.459 36.16063 O ? A ? 56 O 1
   ATOM 465 CB B THR A 69 ? -25.64900 -24.64293 -10.76665 0.459 37.43039 C ? A ? 56 CB 1
   ATOM 466 OG1 B THR A 69 ? -25.23033 -24.95944 -12.09734 0.459 38.60412 O ? A ? 56 OG1 1
   ATOM 467 CG2 B THR A 69 ? -27.04698 -24.06485 -10.81175 0.459 48.48195 C ? A ? 56 CG2 1
   ATOM 468 N . GLU A 70 ? -24.78738 -23.97228 -7.70692 1.000 37.09377 N ? A ? 57 N 1
   ATOM 469 CA . GLU A 70 ? -25.24821 -23.65311 -6.35781 1.000 40.05471 C ? A ? 57 CA 1
   ATOM 470 C . GLU A 70 ? -24.48780 -22.48718 -5.77115 1.000 38.72021 C ? A ? 57 C 1
   ATOM 471 O . GLU A 70 ? -25.04526 -21.72836 -4.97826 1.000 35.71874 O ? A ? 57 O 1
   ATOM 472 CB . GLU A 70 ? -25.10403 -24.83686 -5.40913 1.000 46.96216 C ? A ? 57 CB 1
   ATOM 473 CG . GLU A 70 ? -25.63243 -26.16521 -5.95759 1.000 73.56754 C ? A ? 57 CG 1
   ATOM 474 CD . GLU A 70 ? -24.94207 -27.39004 -5.33735 1.000 115.85020 C ? A ? 57 CD 1
   ATOM 475 OE1 . GLU A 70 ? -24.18939 -28.09430 -6.05551 1.000 106.60023 O ? A ? 57 OE1 1
   ATOM 476 OE2 . GLU A 70 ? -25.15224 -27.64653 -4.13049 1.000 129.54309 O ? A ? 57 OE2 1
   ATOM 477 N . GLU A 71 ? -23.23067 -22.32211 -6.14202 1.000 35.88298 N ? A ? 58 N 1
   ATOM 478 CA . GLU A 71 ? -22.54474 -21.11043 -5.74388 1.000 38.40579 C ? A ? 58 CA 1
   ATOM 479 C . GLU A 71 ? -23.16640 -19.91353 -6.44131 1.000 34.67005 C ? A ? 58 C 1
   ATOM 480 O . GLU A 71 ? -23.42337 -18.88490 -5.80161 1.000 32.21328 O ? A ? 58 O 1
   ATOM 481 CB . GLU A 71 ? -21.05859 -21.21606 -6.07154 1.000 39.37107 C ? A ? 58 CB 1
   ATOM 482 CG . GLU A 71 ? -20.31352 -19.99953 -5.61237 1.000 49.30212 C ? A ? 58 CG 1
   ATOM 483 CD . GLU A 71 ? -20.44488 -19.82815 -4.11757 1.000 43.76566 C ? A ? 58 CD 1
   ATOM 484 OE1 . GLU A 71 ? -20.79001 -18.71484 -3.65907 1.000 43.02374 O ? A ? 58 OE1 1
   ATOM 485 OE2 . GLU A 71 ? -20.21406 -20.83321 -3.39798 1.000 54.20343 O ? A ? 58 OE2 1
   ATOM 486 N . VAL A 72 ? -23.50832 -20.06398 -7.73147 1.000 31.83844 N ? A ? 59 N 1
   ATOM 487 CA . VAL A 72 ? -24.18190 -18.97897 -8.43713 1.000 32.83620 C ? A ? 59 CA 1
   ATOM 488 C . VAL A 72 ? -25.49992 -18.66966 -7.75509 1.000 32.59737 C ? A ? 59 C 1
   ATOM 489 O . VAL A 72 ? -25.88073 -17.50343 -7.61427 1.000 30.56842 O ? A ? 59 O 1
   ATOM 490 CB . VAL A 72 ? -24.36906 -19.31313 -9.93020 1.000 32.83241 C ? A ? 59 CB 1
   ATOM 491 CG1 . VAL A 72 ? -25.22048 -18.21055 -10.61732 1.000 33.62865 C ? A ? 59 CG1 1
   ATOM 492 CG2 . VAL A 72 ? -23.02263 -19.40192 -10.61705 1.000 31.88800 C ? A ? 59 CG2 1
   ATOM 493 N . ALA A 73 ? -26.18843 -19.70441 -7.25261 1.000 32.61409 N ? A ? 60 N 1
   ATOM 494 CA . ALA A 73 ? -27.47624 -19.48549 -6.57968 1.000 34.78940 C ? A ? 60 CA 1
   ATOM 495 C . ALA A 73 ? -27.29859 -18.75064 -5.25675 1.000 33.24559 C ? A ? 60 C 1
   ATOM 496 O . ALA A 73 ? -28.15391 -17.93555 -4.88030 1.000 34.90662 O ? A ? 60 O 1
   ATOM 497 CB . ALA A 73 ? -28.20428 -20.82386 -6.31731 1.000 33.07515 C ? A ? 60 CB 1
   ATOM 498 N . ARG A 74 ? -26.19682 -18.99363 -4.53806 1.000 32.27253 N ? A ? 61 N 1
   ATOM 499 CA . ARG A 74 ? -25.99835 -18.21373 -3.31539 1.000 34.60369 C ? A ? 61 CA 1
   ATOM 500 C . ARG A 74 ? -25.64487 -16.77490 -3.66077 1.000 32.41005 C ? A ? 61 C 1
   ATOM 501 O . ARG A 74 ? -25.99889 -15.84060 -2.92733 1.000 30.78960 O ? A ? 61 O 1
   ATOM 502 CB . ARG A 74 ? -24.90477 -18.83771 -2.43012 1.000 37.49143 C ? A ? 61 CB 1
   ATOM 503 CG . ARG A 74 ? -25.24774 -20.23022 -1.87987 1.000 41.65424 C ? A ? 61 CG 1
   ATOM 504 CD . ARG A 74 ? -24.21296 -20.72267 -0.85654 1.000 42.21273 C ? A ? 61 CD 1
   ATOM 505 NE . ARG A 74 ? -23.05065 -21.28787 -1.51753 1.000 41.63169 N ? A ? 61 NE 1
   ATOM 506 CZ . ARG A 74 ? -22.96777 -22.54387 -1.94038 1.000 42.16513 C ? A ? 61 CZ 1
   ATOM 507 NH1 . ARG A 74 ? -23.94943 -23.40656 -1.74022 1.000 40.86042 N ? A ? 61 NH1 1
   ATOM 508 NH2 . ARG A 74 ? -21.87621 -22.94630 -2.58112 1.000 43.16450 N ? A ? 61 NH2 1
   ATOM 509 N . ILE A 75 ? -24.97249 -16.56091 -4.78517 1.000 29.92018 N ? A ? 62 N 1
   ATOM 510 CA . ILE A 75 ? -24.69130 -15.17594 -5.16404 1.000 29.79812 C ? A ? 62 CA 1
   ATOM 511 C . ILE A 75 ? -25.99263 -14.42819 -5.44191 1.000 31.28695 C ? A ? 62 C 1
   ATOM 512 O . ILE A 75 ? -26.20355 -13.30446 -4.96404 1.000 30.75570 O ? A ? 62 O 1
   ATOM 513 CB . ILE A 75 ? -23.73808 -15.13921 -6.36384 1.000 29.52095 C ? A ? 62 CB 1
   ATOM 514 CG1 . ILE A 75 ? -22.32371 -15.44087 -5.88296 1.000 28.64850 C ? A ? 62 CG1 1
   ATOM 515 CG2 . ILE A 75 ? -23.72218 -13.72872 -6.97629 1.000 28.77311 C ? A ? 62 CG2 1
   ATOM 516 CD1 . ILE A 75 ? -21.34636 -15.99367 -6.95396 1.000 31.08343 C ? A ? 62 CD1 1
   ATOM 517 N . ARG A 76 ? -26.87739 -15.04273 -6.23655 1.000 30.52388 N ? A ? 63 N 1
   ATOM 518 CA . ARG A 76 ? -28.17822 -14.44620 -6.56264 1.000 33.64669 C ? A ? 63 CA 1
   ATOM 519 C . ARG A 76 ? -28.98068 -14.10216 -5.30336 1.000 34.86608 C ? A ? 63 C 1
   ATOM 520 O . ARG A 76 ? -29.53327 -12.99951 -5.17962 1.000 34.61638 O ? A ? 63 O 1
   ATOM 521 CB . ARG A 76 ? -28.92955 -15.41953 -7.47811 1.000 35.69474 C ? A ? 63 CB 1
   ATOM 522 CG . ARG A 76 ? -30.26695 -14.91592 -8.02681 1.000 38.88819 C ? A ? 63 CG 1
   ATOM 523 CD . ARG A 76 ? -30.89700 -16.06170 -8.94528 1.000 42.32034 C ? A ? 63 CD 1
   ATOM 524 NE . ARG A 76 ? -29.96227 -16.52652 -9.96872 1.000 49.76058 N ? A ? 63 NE 1
   ATOM 525 CZ . ARG A 76 ? -29.50137 -17.76703 -10.07524 1.000 58.11493 C ? A ? 63 CZ 1
   ATOM 526 NH1 . ARG A 76 ? -29.88686 -18.72699 -9.24533 1.000 47.19148 N ? A ? 63 NH1 1
   ATOM 527 NH2 . ARG A 76 ? -28.64003 -18.05689 -11.04837 1.000 48.95523 N ? A ? 63 NH2 1
   ATOM 528 N . ARG A 77 ? -29.01573 -15.00712 -4.32813 1.000 33.56699 N ? A ? 64 N 1
   ATOM 529 CA . ARG A 77 ? -29.75971 -14.71727 -3.10387 1.000 37.35829 C ? A ? 64 CA 1
   ATOM 530 C . ARG A 77 ? -29.10621 -13.58070 -2.31567 1.000 37.81549 C ? A ? 64 C 1
   ATOM 531 O . ARG A 77 ? -29.79707 -12.70983 -1.78032 1.000 38.07662 O ? A ? 64 O 1
   ATOM 532 CB . ARG A 77 ? -29.89070 -15.99724 -2.27567 1.000 43.75942 C ? A ? 64 CB 1
   ATOM 533 CG . ARG A 77 ? -30.39871 -15.79206 -0.84344 1.000 55.58475 C ? A ? 64 CG 1
   ATOM 534 CD . ARG A 77 ? -30.43535 -17.07386 0.05577 1.000 87.63521 C ? A ? 64 CD 1
   ATOM 535 NE . ARG A 77 ? -29.14757 -17.55582 0.55269 1.000 100.25443 N ? A ? 64 NE 1
   ATOM 536 CZ . ARG A 77 ? -28.64225 -18.76426 0.31161 1.000 95.21297 C ? A ? 64 CZ 1
   ATOM 537 NH1 . ARG A 77 ? -29.23521 -19.61169 -0.51835 1.000 78.97936 N ? A ? 64 NH1 1
   ATOM 538 NH2 . ARG A 77 ? -27.51272 -19.13695 0.92402 1.000 77.39058 N ? A ? 64 NH2 1
   ATOM 539 N . ALA A 78 ? -27.77541 -13.56276 -2.22974 1.000 34.59770 N ? A ? 65 N 1
   ATOM 540 CA . ALA A 78 ? -27.11341 -12.42576 -1.60829 1.000 35.25030 C ? A ? 65 CA 1
   ATOM 541 C . ALA A 78 ? -27.52610 -11.14297 -2.27585 1.000 34.93684 C ? A ? 65 C 1
   ATOM 542 O . ALA A 78 ? -27.91931 -10.17066 -1.61221 1.000 33.70817 O ? A ? 65 O 1
   ATOM 543 CB . ALA A 78 ? -25.59344 -12.56544 -1.70356 1.000 32.70193 C ? A ? 65 CB 1
   ATOM 544 N . ILE A 79 ? -27.40466 -11.09896 -3.59875 1.000 33.03118 N ? A ? 66 N 1
   ATOM 545 CA . ILE A 79 ? -27.71682 -9.86303 -4.30757 1.000 36.00006 C ? A ? 66 CA 1
   ATOM 546 C . ILE A 79 ? -29.16123 -9.46883 -4.05118 1.000 36.37061 C ? A ? 66 C 1
   ATOM 547 O . ILE A 79 ? -29.46237 -8.30504 -3.75697 1.000 35.24781 O ? A ? 66 O 1
   ATOM 548 CB . ILE A 79 ? -27.43710 -10.03694 -5.80436 1.000 41.15903 C ? A ? 66 CB 1
   ATOM 549 CG1 . ILE A 79 ? -25.93864 -10.12859 -6.05377 1.000 35.27140 C ? A ? 66 CG1 1
   ATOM 550 CG2 . ILE A 79 ? -28.03053 -8.91037 -6.61503 1.000 38.81532 C ? A ? 66 CG2 1
   ATOM 551 CD1 . ILE A 79 ? -25.67938 -10.58482 -7.47574 1.000 34.44598 C ? A ? 66 CD1 1
   ATOM 552 N . LYS A 80 ? -30.06001 -10.44379 -4.10170 1.000 37.32783 N ? A ? 67 N 1
   ATOM 553 CA . LYS A 80 ? -31.48308 -10.18686 -3.89050 1.000 40.80622 C ? A ? 67 CA 1
   ATOM 554 C . LYS A 80 ? -31.75935 -9.59554 -2.50951 1.000 45.90103 C ? A ? 67 C 1
   ATOM 555 O . LYS A 80 ? -32.54301 -8.64716 -2.37794 1.000 42.03309 O ? A ? 67 O 1
   ATOM 556 CB . LYS A 80 ? -32.25381 -11.49001 -4.09366 1.000 45.97112 C ? A ? 67 CB 1
   ATOM 557 CG . LYS A 80 ? -33.67439 -11.50401 -3.53268 1.000 72.92297 C ? A ? 67 CG 1
   ATOM 558 CD . LYS A 80 ? -34.65734 -12.18153 -4.50917 1.000 70.25721 C ? A ? 67 CD 1
   ATOM 559 CE . LYS A 80 ? -36.05686 -11.51459 -4.44556 1.000 90.74906 C ? A ? 67 CE 1
   ATOM 560 NZ . LYS A 80 ? -36.97382 -11.85645 -5.59359 1.000 82.54071 N ? A ? 67 NZ 1
   ATOM 561 N A ASN A 81 ? -31.12028 -10.13072 -1.46772 0.446 40.13468 N ? A ? 68 N 1
   ATOM 562 CA A ASN A 81 ? -31.32124 -9.64080 -0.10455 0.446 40.86595 C ? A ? 68 CA 1
   ATOM 563 C A ASN A 81 ? -30.49039 -8.41061 0.22985 0.446 38.73560 C ? A ? 68 C 1
   ATOM 564 O A ASN A 81 ? -30.59560 -7.90596 1.35307 0.446 38.72521 O ? A ? 68 O 1
   ATOM 565 CB A ASN A 81 ? -30.99577 -10.74311 0.91277 0.446 43.11554 C ? A ? 68 CB 1
   ATOM 566 CG A ASN A 81 ? -31.86914 -11.96420 0.74887 0.446 48.11817 C ? A ? 68 CG 1
   ATOM 567 OD1 A ASN A 81 ? -32.74848 -12.00194 -0.11252 0.446 44.65122 O ? A ? 68 OD1 1
   ATOM 568 ND2 A ASN A 81 ? -31.62385 -12.97830 1.57104 0.446 53.44235 N ? A ? 68 ND2 1
   ATOM 569 N B ASN A 81 ? -31.13242 -10.13714 -1.47263 0.554 40.23510 N ? A ? 68 N 1
   ATOM 570 CA B ASN A 81 ? -31.34083 -9.64339 -0.11751 0.554 40.81686 C ? A ? 68 CA 1
   ATOM 571 C B ASN A 81 ? -30.44581 -8.46111 0.24784 0.554 38.79595 C ? A ? 68 C 1
   ATOM 572 O B ASN A 81 ? -30.49149 -8.01434 1.40024 0.554 38.58740 O ? A ? 68 O 1
   ATOM 573 CB B ASN A 81 ? -31.14213 -10.79283 0.88897 0.554 43.14732 C ? A ? 68 CB 1
   ATOM 574 CG B ASN A 81 ? -32.22985 -11.85681 0.78117 0.554 47.15650 C ? A ? 68 CG 1
   ATOM 575 OD1 B ASN A 81 ? -33.32334 -11.68614 1.30888 0.554 44.65829 O ? A ? 68 OD1 1
   ATOM 576 ND2 B ASN A 81 ? -31.92837 -12.96262 0.10276 0.554 46.04089 N ? A ? 68 ND2 1
   ATOM 577 N . GLY A 82 ? -29.66181 -7.92575 -0.68709 1.000 37.99448 N ? A ? 69 N 1
   ATOM 578 CA . GLY A 82 ? -28.72956 -6.84421 -0.34565 1.000 38.36234 C ? A ? 69 CA 1
   ATOM 579 C . GLY A 82 ? -27.72217 -7.17961 0.74541 1.000 40.10032 C ? A ? 69 C 1
   ATOM 580 O . GLY A 82 ? -27.45058 -6.35006 1.61988 1.000 37.13621 O ? A ? 69 O 1
   ATOM 581 N . GLU A 83 ? -27.13836 -8.36458 0.71192 1.000 34.74546 N ? A ? 70 N 1
   ATOM 582 CA . GLU A 83 ? -26.18760 -8.77820 1.74075 1.000 35.20966 C ? A ? 70 CA 1
   ATOM 583 C . GLU A 83 ? -24.80062 -8.88525 1.14618 1.000 30.91085 C ? A ? 70 C 1
   ATOM 584 O . GLU A 83 ? -24.65849 -9.19368 -0.03548 1.000 27.66883 O ? A ? 70 O 1
   ATOM 585 CB . GLU A 83 ? -26.54365 -10.17465 2.29539 1.000 39.56737 C ? A ? 70 CB 1
   ATOM 586 CG . GLU A 83 ? -27.94885 -10.32438 2.91424 1.000 41.22708 C ? A ? 70 CG 1
   ATOM 587 CD . GLU A 83 ? -28.15096 -11.73643 3.47481 1.000 52.03586 C ? A ? 70 CD 1
   ATOM 588 OE1 . GLU A 83 ? -28.66233 -11.87263 4.61021 1.000 83.88031 O ? A ? 70 OE1 1
   ATOM 589 OE2 . GLU A 83 ? -27.73056 -12.70552 2.79247 1.000 61.18501 O ? A ? 70 OE2 1
   ATOM 590 N A SER A 84 ? -23.78253 -8.64036 1.97102 0.567 32.26122 N ? A ? 71 N 1
   ATOM 591 CA A SER A 84 ? -22.44313 -9.02772 1.58676 0.567 30.86851 C ? A ? 71 CA 1
   ATOM 592 C A SER A 84 ? -22.38894 -10.54453 1.37369 0.567 31.59507 C ? A ? 71 C 1
   ATOM 593 O A SER A 84 ? -23.29120 -11.28610 1.77438 0.567 34.21593 O ? A ? 71 O 1
   ATOM 594 CB A SER A 84 ? -21.43706 -8.59288 2.65340 0.567 32.67631 C ? A ? 71 CB 1
   ATOM 595 OG A SER A 84 ? -21.79854 -9.13179 3.91900 0.567 30.99815 O ? A ? 71 OG 1
   ATOM 596 N B SER A 84 ? -23.77426 -8.68622 1.98112 0.433 32.39104 N ? A ? 71 N 1
   ATOM 597 CA B SER A 84 ? -22.41598 -9.01104 1.57494 0.433 30.86623 C ? A ? 71 CA 1
   ATOM 598 C B SER A 84 ? -22.20352 -10.52702 1.60394 0.433 32.23843 C ? A ? 71 C 1
   ATOM 599 O B SER A 84 ? -22.79568 -11.24251 2.41954 0.433 33.77996 O ? A ? 71 O 1
   ATOM 600 CB B SER A 84 ? -21.38823 -8.32587 2.48150 0.433 32.06395 C ? A ? 71 CB 1
   ATOM 601 OG B SER A 84 ? -21.39659 -6.92042 2.33853 0.433 31.55138 O ? A ? 71 OG 1
   ATOM 602 N . HIS A 85 ? -21.31392 -11.00118 0.71867 1.000 30.09625 N ? A ? 72 N 1
   ATOM 603 CA . HIS A 85 ? -21.19245 -12.40773 0.36393 1.000 30.29059 C ? A ? 72 CA 1
   ATOM 604 C . HIS A 85 ? -19.82045 -12.64467 -0.23332 1.000 29.48080 C ? A ? 72 C 1
   ATOM 605 O . HIS A 85 ? -19.20288 -11.73404 -0.79604 1.000 28.62413 O ? A ? 72 O 1
   ATOM 606 CB . HIS A 85 ? -22.26676 -12.80044 -0.66024 1.000 30.52191 C ? A ? 72 CB 1
   ATOM 607 CG . HIS A 85 ? -22.22469 -14.23773 -1.07064 1.000 33.13517 C ? A ? 72 CG 1
   ATOM 608 ND1 . HIS A 85 ? -22.92303 -15.22647 -0.39830 1.000 40.66423 N ? A ? 72 ND1 1
   ATOM 609 CD2 . HIS A 85 ? -21.57768 -14.85480 -2.09458 1.000 30.38501 C ? A ? 72 CD2 1
   ATOM 610 CE1 . HIS A 85 ? -22.70446 -16.38793 -0.99242 1.000 33.81780 C ? A ? 72 CE1 1
   ATOM 611 NE2 . HIS A 85 ? -21.89996 -16.19054 -2.02476 1.000 32.19744 N ? A ? 72 NE2 1
   ATOM 612 N A CYS A 86 ? -19.35244 -13.87254 -0.10216 0.455 29.68478 N ? A ? 73 N 1
   ATOM 613 CA A CYS A 86 ? -18.19501 -14.25820 -0.86727 0.455 31.19411 C ? A ? 73 CA 1
   ATOM 614 C A CYS A 86 ? -18.27723 -15.75374 -1.09704 0.455 31.16329 C ? A ? 73 C 1
   ATOM 615 O A CYS A 86 ? -18.73406 -16.50803 -0.23536 0.455 29.88575 O ? A ? 73 O 1
   ATOM 616 CB A CYS A 86 ? -16.88637 -13.85737 -0.17839 0.455 29.43234 C ? A ? 73 CB 1
   ATOM 617 SG A CYS A 86 ? -16.52142 -14.87587 1.21367 0.455 29.13778 S ? A ? 73 SG 1
   ATOM 618 N B CYS A 86 ? -19.31099 -13.86563 -0.07706 0.545 29.63337 N ? A ? 73 N 1
   ATOM 619 CA B CYS A 86 ? -18.13070 -14.27560 -0.82221 0.545 31.28477 C ? A ? 73 CA 1
   ATOM 620 C B CYS A 86 ? -18.34098 -15.69923 -1.30740 0.545 31.43185 C ? A ? 73 C 1
   ATOM 621 O B CYS A 86 ? -19.24335 -16.40574 -0.85878 0.545 35.03164 O ? A ? 73 O 1
   ATOM 622 CB B CYS A 86 ? -16.81955 -14.16878 -0.00954 0.545 29.32817 C ? A ? 73 CB 1
   ATOM 623 SG B CYS A 86 ? -15.26358 -14.32167 -1.02014 0.545 29.74627 S ? A ? 73 SG 1
   ATOM 624 N A GLY A 87 ? -17.85429 -16.16790 -2.28655 0.455 29.58675 N ? A ? 74 N 1
   ATOM 625 CA A GLY A 87 ? -17.85714 -17.57091 -2.63902 0.455 31.19144 C ? A ? 74 CA 1
   ATOM 626 C A GLY A 87 ? -16.77606 -17.75606 -3.67111 0.455 30.17167 C ? A ? 74 C 1
   ATOM 627 O A GLY A 87 ? -16.19184 -16.79090 -4.15685 0.455 28.54893 O ? A ? 74 O 1
   ATOM 628 N B GLY A 87 ? -17.50589 -16.11677 -2.25376 0.545 29.63277 N ? A ? 74 N 1
   ATOM 629 CA B GLY A 87 ? -17.59826 -17.47767 -2.72177 0.545 31.29628 C ? A ? 74 CA 1
   ATOM 630 C B GLY A 87 ? -16.65456 -17.77813 -3.85815 0.545 30.43741 C ? A ? 74 C 1
   ATOM 631 O B GLY A 87 ? -16.32572 -16.90355 -4.65545 0.545 30.60080 O ? A ? 74 O 1
   ATOM 632 N A ARG A 88 ? -16.51652 -19.01218 -4.00623 0.455 31.57347 N ? A ? 75 N 1
   ATOM 633 CA A ARG A 88 ? -15.48564 -19.39154 -4.95996 0.455 32.76647 C ? A ? 75 CA 1
   ATOM 634 C A ARG A 88 ? -16.14023 -19.88934 -6.24382 0.455 31.39267 C ? A ? 75 C 1
   ATOM 635 O A ARG A 88 ? -17.01128 -20.75187 -6.20168 0.455 33.38961 O ? A ? 75 O 1
   ATOM 636 CB A ARG A 88 ? -14.61195 -20.46984 -4.34117 0.455 35.00562 C ? A ? 75 CB 1
   ATOM 637 CG A ARG A 88 ? -13.51849 -20.97930 -5.20089 0.455 35.30058 C ? A ? 75 CG 1
   ATOM 638 CD A ARG A 88 ? -13.04858 -22.25556 -4.59280 0.455 44.70875 C ? A ? 75 CD 1
   ATOM 639 NE A ARG A 88 ? -11.69553 -22.55386 -5.01126 0.455 42.62967 N ? A ? 75 NE 1
   ATOM 640 CZ A ARG A 88 ? -11.26565 -23.77417 -5.28464 0.455 37.73631 C ? A ? 75 CZ 1
   ATOM 641 NH1 A ARG A 88 ? -12.06958 -24.82311 -5.22251 0.455 44.73503 N ? A ? 75 NH1 1
   ATOM 642 NH2 A ARG A 88 ? -10.01054 -23.94165 -5.65885 0.455 34.91414 N ? A ? 75 NH2 1
   ATOM 643 N B ARG A 88 ? -16.22366 -19.02448 -3.95068 0.545 31.44534 N ? A ? 75 N 1
   ATOM 644 CA B ARG A 88 ? -15.30666 -19.45765 -4.98930 0.545 33.32733 C ? A ? 75 CA 1
   ATOM 645 C B ARG A 88 ? -16.08286 -19.90408 -6.22745 0.545 31.06801 C ? A ? 75 C 1
   ATOM 646 O B ARG A 88 ? -16.99463 -20.72273 -6.13195 0.545 32.93460 O ? A ? 75 O 1
   ATOM 647 CB B ARG A 88 ? -14.45343 -20.58538 -4.42523 0.545 35.45740 C ? A ? 75 CB 1
   ATOM 648 CG B ARG A 88 ? -13.62578 -21.32944 -5.39651 0.545 34.65225 C ? A ? 75 CG 1
   ATOM 649 CD B ARG A 88 ? -13.44881 -22.71418 -4.83415 0.545 38.26846 C ? A ? 75 CD 1
   ATOM 650 NE B ARG A 88 ? -12.51572 -23.49569 -5.62016 0.545 47.29466 N ? A ? 75 NE 1
   ATOM 651 CZ B ARG A 88 ? -12.64104 -24.79763 -5.82549 0.545 43.03996 C ? A ? 75 CZ 1
   ATOM 652 NH1 B ARG A 88 ? -13.68881 -25.47026 -5.37860 0.545 42.07185 N ? A ? 75 NH1 1
   ATOM 653 NH2 B ARG A 88 ? -11.69288 -25.43960 -6.49371 0.545 40.04954 N ? A ? 75 NH2 1
   ATOM 654 N . LEU A 89 ? -15.73813 -19.34105 -7.38162 1.000 32.71003 N ? A ? 76 N 1
   ATOM 655 CA . LEU A 89 ? -16.39955 -19.61536 -8.66596 1.000 31.83696 C ? A ? 76 CA 1
   ATOM 656 C . LEU A 89 ? -15.34675 -19.90431 -9.70263 1.000 31.01336 C ? A ? 76 C 1
   ATOM 657 O . LEU A 89 ? -14.39334 -19.12608 -9.80676 1.000 26.88124 O ? A ? 76 O 1
   ATOM 658 CB . LEU A 89 ? -17.14452 -18.38130 -9.21174 1.000 33.76111 C ? A ? 76 CB 1
   ATOM 659 CG . LEU A 89 ? -18.51859 -17.99853 -8.77129 1.000 50.24194 C ? A ? 76 CG 1
   ATOM 660 CD1 . LEU A 89 ? -18.55075 -16.52021 -8.94718 1.000 53.85861 C ? A ? 76 CD1 1
   ATOM 661 CD2 . LEU A 89 ? -19.44116 -18.61464 -9.71598 1.000 38.20240 C ? A ? 76 CD2 1
   ATOM 662 N . LEU A 90 ? -15.54333 -20.95682 -10.52947 1.000 29.49080 N ? A ? 77 N 1
   ATOM 663 CA . LEU A 90 ? -14.74566 -21.09455 -11.75525 1.000 28.00482 C ? A ? 77 CA 1
   ATOM 664 C . LEU A 90 ? -15.18905 -20.06787 -12.80054 1.000 24.61401 C ? A ? 77 C 1
   ATOM 665 O . LEU A 90 ? -16.38157 -19.90789 -13.05780 1.000 22.90940 O ? A ? 77 O 1
   ATOM 666 CB . LEU A 90 ? -14.87732 -22.48882 -12.36131 1.000 27.12454 C ? A ? 77 CB 1
   ATOM 667 CG . LEU A 90 ? -13.89151 -22.82134 -13.49995 1.000 24.86972 C ? A ? 77 CG 1
   ATOM 668 CD1 . LEU A 90 ? -12.42049 -22.96292 -13.01030 1.000 26.03651 C ? A ? 77 CD1 1
   ATOM 669 CD2 . LEU A 90 ? -14.37403 -24.11806 -14.12042 1.000 29.06180 C ? A ? 77 CD2 1
   ATOM 670 N . ASN A 91 ? -14.22937 -19.36853 -13.37950 1.000 24.99810 N ? A ? 78 N 1
   ATOM 671 CA . ASN A 91 ? -14.48435 -18.31024 -14.34314 1.000 24.33784 C ? A ? 78 CA 1
   ATOM 672 C . ASN A 91 ? -13.47708 -18.50051 -15.46827 1.000 25.48404 C ? A ? 78 C 1
   ATOM 673 O . ASN A 91 ? -12.53677 -19.30243 -15.35581 1.000 23.42853 O ? A ? 78 O 1
   ATOM 674 CB . ASN A 91 ? -14.27168 -16.89440 -13.71722 1.000 24.30350 C ? A ? 78 CB 1
   ATOM 675 CG . ASN A 91 ? -15.49164 -16.33887 -12.99902 1.000 27.67454 C ? A ? 78 CG 1
   ATOM 676 OD1 . ASN A 91 ? -15.40681 -15.19649 -12.49076 1.000 26.15042 O ? A ? 78 OD1 1
   ATOM 677 ND2 . ASN A 91 ? -16.64127 -17.05988 -12.98660 1.000 24.55018 N ? A ? 78 ND2 1
   ATOM 678 N . TYR A 92 ? -13.66191 -17.75546 -16.55214 1.000 23.88000 N ? A ? 79 N 1
   ATOM 679 CA . TYR A 92 ? -12.87957 -17.93774 -17.76690 1.000 25.46779 C ? A ? 79 CA 1
   ATOM 680 C . TYR A 92 ? -12.37630 -16.60853 -18.28456 1.000 28.95429 C ? A ? 79 C 1
   ATOM 681 O . TYR A 92 ? -13.16237 -15.66282 -18.41047 1.000 23.56097 O ? A ? 79 O 1
   ATOM 682 CB . TYR A 92 ? -13.77636 -18.58862 -18.82772 1.000 27.07008 C ? A ? 79 CB 1
   ATOM 683 CG . TYR A 92 ? -14.03278 -20.01909 -18.43070 1.000 24.97224 C ? A ? 79 CG 1
   ATOM 684 CD1 . TYR A 92 ? -15.08337 -20.34926 -17.56754 1.000 26.05460 C ? A ? 79 CD1 1
   ATOM 685 CD2 . TYR A 92 ? -13.18894 -21.03239 -18.87942 1.000 28.79650 C ? A ? 79 CD2 1
   ATOM 686 CE1 . TYR A 92 ? -15.28123 -21.70882 -17.17180 1.000 26.90108 C ? A ? 79 CE1 1
   ATOM 687 CE2 . TYR A 92 ? -13.37965 -22.35654 -18.50354 1.000 26.34270 C ? A ? 79 CE2 1
   ATOM 688 CZ . TYR A 92 ? -14.39486 -22.68247 -17.66608 1.000 26.40858 C ? A ? 79 CZ 1
   ATOM 689 OH . TYR A 92 ? -14.52414 -24.01631 -17.32589 1.000 25.66565 O ? A ? 79 OH 1
   ATOM 690 N A LYS A 93 ? -11.08007 -16.53532 -18.57648 0.231 28.71625 N ? A ? 80 N 1
   ATOM 691 CA A LYS A 93 ? -10.52412 -15.36157 -19.22823 0.231 28.82893 C ? A ? 80 CA 1
   ATOM 692 C A LYS A 93 ? -11.09631 -15.24877 -20.63833 0.231 29.34497 C ? A ? 80 C 1
   ATOM 693 O A LYS A 93 ? -11.93783 -16.04879 -21.07140 0.231 29.57186 O ? A ? 80 O 1
   ATOM 694 CB A LYS A 93 ? -8.99418 -15.43073 -19.25620 0.231 28.59204 C ? A ? 80 CB 1
   ATOM 695 CG A LYS A 93 ? -8.32402 -15.45295 -17.88377 0.231 29.15985 C ? A ? 80 CG 1
   ATOM 696 CD A LYS A 93 ? -6.79349 -15.48083 -17.98371 0.231 31.73693 C ? A ? 80 CD 1
   ATOM 697 CE A LYS A 93 ? -6.16093 -15.88377 -16.65046 0.231 30.72516 C ? A ? 80 CE 1
   ATOM 698 NZ A LYS A 93 ? -4.65664 -15.94102 -16.68448 0.231 29.55579 N ? A ? 80 NZ 1
   ATOM 699 N B LYS A 93 ? -11.09537 -16.55752 -18.62796 0.769 28.65378 N ? A ? 80 N 1
   ATOM 700 CA B LYS A 93 ? -10.54445 -15.37536 -19.26463 0.769 28.89667 C ? A ? 80 CA 1
   ATOM 701 C B LYS A 93 ? -10.89254 -15.37537 -20.74193 0.769 30.09662 C ? A ? 80 C 1
   ATOM 702 O B LYS A 93 ? -11.38039 -16.36685 -21.31262 0.769 27.24043 O ? A ? 80 O 1
   ATOM 703 CB B LYS A 93 ? -9.02772 -15.30907 -19.09775 0.769 27.83931 C ? A ? 80 CB 1
   ATOM 704 CG B LYS A 93 ? -8.54108 -15.70050 -17.74156 0.769 28.87563 C ? A ? 80 CG 1
   ATOM 705 CD B LYS A 93 ? -7.14026 -15.21301 -17.50164 0.769 30.08725 C ? A ? 80 CD 1
   ATOM 706 CE B LYS A 93 ? -6.86820 -15.29357 -16.00571 0.769 27.95012 C ? A ? 80 CE 1
   ATOM 707 NZ B LYS A 93 ? -5.48097 -14.86116 -15.72894 0.769 28.82190 N ? A ? 80 NZ 1
   ATOM 708 N . LYS A 94 ? -10.62964 -14.23419 -21.36373 1.000 29.07231 N ? A ? 81 N 1
   ATOM 709 CA . LYS A 94 ? -11.05367 -14.04450 -22.74200 1.000 31.07752 C ? A ? 81 CA 1
   ATOM 710 C . LYS A 94 ? -10.38695 -15.04068 -23.68000 1.000 34.20999 C ? A ? 81 C 1
   ATOM 711 O . LYS A 94 ? -10.98069 -15.42681 -24.68377 1.000 33.56163 O ? A ? 81 O 1
   ATOM 712 CB . LYS A 94 ? -10.73173 -12.61682 -23.19381 1.000 31.86867 C ? A ? 81 CB 1
   ATOM 713 CG . LYS A 94 ? -11.39563 -12.26071 -24.50658 1.000 35.20240 C ? A ? 81 CG 1
   ATOM 714 CD . LYS A 94 ? -10.87595 -10.96917 -25.10586 1.000 40.56836 C ? A ? 81 CD 1
   ATOM 715 CE . LYS A 94 ? -11.88675 -10.45200 -26.11847 1.000 44.99946 C ? A ? 81 CE 1
   ATOM 716 NZ . LYS A 94 ? -11.38399 -9.24127 -26.83033 1.000 65.28697 N ? A ? 81 NZ 1
   ATOM 717 N . ASP A 95 ? -9.14319 -15.44225 -23.41008 1.000 32.19992 N ? A ? 82 N 1
   ATOM 718 CA . ASP A 95 ? -8.54911 -16.48923 -24.23408 1.000 36.51842 C ? A ? 82 CA 1
   ATOM 719 C . ASP A 95 ? -9.07284 -17.88918 -23.86297 1.000 35.77356 C ? A ? 82 C 1
   ATOM 720 O . ASP A 95 ? -8.52718 -18.89983 -24.30999 1.000 35.33915 O ? A ? 82 O 1
   ATOM 721 CB . ASP A 95 ? -7.02270 -16.43498 -24.13291 1.000 37.16169 C ? A ? 82 CB 1
   ATOM 722 CG . ASP A 95 ? -6.50953 -16.78146 -22.75846 1.000 33.47881 C ? A ? 82 CG 1
   ATOM 723 OD1 . ASP A 95 ? -7.33238 -17.10400 -21.85255 1.000 31.08736 O ? A ? 82 OD1 1
   ATOM 724 OD2 . ASP A 95 ? -5.26354 -16.70460 -22.57490 1.000 35.87785 O ? A ? 82 OD2 1
   ATOM 725 N . GLY A 96 ? -10.10615 -17.97131 -23.03606 1.000 32.52131 N ? A ? 83 N 1
   ATOM 726 CA . GLY A 96 ? -10.64866 -19.25605 -22.59944 1.000 32.72931 C ? A ? 83 CA 1
   ATOM 727 C . GLY A 96 ? -9.95443 -19.92830 -21.43297 1.000 31.93744 C ? A ? 83 C 1
   ATOM 728 O . GLY A 96 ? -10.41894 -20.98355 -21.01367 1.000 31.28635 O ? A ? 83 O 1
   ATOM 729 N . THR A 97 ? -8.90845 -19.33003 -20.84171 1.000 31.32542 N ? A ? 84 N 1
   ATOM 730 CA . THR A 97 ? -8.22511 -19.92583 -19.66166 1.000 32.09214 C ? A ? 84 CA 1
   ATOM 731 C . THR A 97 ? -9.11768 -19.92662 -18.42244 1.000 36.94051 C ? A ? 84 C 1
   ATOM 732 O . THR A 97 ? -9.57958 -18.85930 -17.99610 1.000 27.89543 O ? A ? 84 O 1
   ATOM 733 CB . THR A 97 ? -6.95630 -19.13713 -19.33472 1.000 32.83567 C ? A ? 84 CB 1
   ATOM 734 OG1 . THR A 97 ? -6.13819 -19.06544 -20.49718 1.000 33.21572 O ? A ? 84 OG1 1
   ATOM 735 CG2 . THR A 97 ? -6.19513 -19.78110 -18.17244 1.000 31.83447 C ? A ? 84 CG2 1
   ATOM 736 N . PRO A 98 ? -9.36682 -21.06914 -17.80194 1.000 27.82099 N ? A ? 85 N 1
   ATOM 737 CA . PRO A 98 ? -10.12952 -21.08476 -16.54388 1.000 26.55813 C ? A ? 85 CA 1
   ATOM 738 C . PRO A 98 ? -9.29337 -20.58075 -15.38151 1.000 28.08602 C ? A ? 85 C 1
   ATOM 739 O . PRO A 98 ? -8.08244 -20.80332 -15.30386 1.000 28.14478 O ? A ? 85 O 1
   ATOM 740 CB . PRO A 98 ? -10.42763 -22.57750 -16.32487 1.000 27.06805 C ? A ? 85 CB 1
   ATOM 741 CG . PRO A 98 ? -9.81671 -23.29904 -17.52814 1.000 27.89797 C ? A ? 85 CG 1
   ATOM 742 CD . PRO A 98 ? -8.86733 -22.41519 -18.18603 1.000 30.86738 C ? A ? 85 CD 1
   ATOM 743 N . PHE A 99 ? -9.95899 -19.96914 -14.41907 1.000 25.54376 N ? A ? 86 N 1
   ATOM 744 CA . PHE A 99 ? -9.23026 -19.57513 -13.21526 1.000 26.32012 C ? A ? 86 CA 1
   ATOM 745 C . PHE A 99 ? -10.24149 -19.66388 -12.09337 1.000 24.65254 C ? A ? 86 C 1
   ATOM 746 O . PHE A 99 ? -11.45010 -19.48768 -12.33033 1.000 23.22585 O ? A ? 86 O 1
   ATOM 747 CB . PHE A 99 ? -8.59582 -18.14740 -13.37177 1.000 25.99039 C ? A ? 86 CB 1
   ATOM 748 CG . PHE A 99 ? -9.60233 -16.99684 -13.53112 1.000 26.94853 C ? A ? 86 CG 1
   ATOM 749 CD1 . PHE A 99 ? -10.18196 -16.71342 -14.76154 1.000 27.81918 C ? A ? 86 CD1 1
   ATOM 750 CD2 . PHE A 99 ? -9.89270 -16.17530 -12.46281 1.000 27.42668 C ? A ? 86 CD2 1
   ATOM 751 CE1 . PHE A 99 ? -11.11331 -15.64103 -14.90375 1.000 25.77158 C ? A ? 86 CE1 1
   ATOM 752 CE2 . PHE A 99 ? -10.79182 -15.10891 -12.57849 1.000 26.85770 C ? A ? 86 CE2 1
   ATOM 753 CZ . PHE A 99 ? -11.38383 -14.82156 -13.78826 1.000 26.13756 C ? A ? 86 CZ 1
   ATOM 754 N . TRP A 100 ? -9.76335 -19.91787 -10.88357 1.000 25.03410 N ? A ? 87 N 1
   ATOM 755 CA . TRP A 100 ? -10.63706 -19.83993 -9.70986 1.000 28.16205 C ? A ? 87 CA 1
   ATOM 756 C . TRP A 100 ? -10.68903 -18.39295 -9.23641 1.000 28.35936 C ? A ? 87 C 1
   ATOM 757 O . TRP A 100 ? -9.64845 -17.75317 -9.04827 1.000 26.99080 O ? A ? 87 O 1
   ATOM 758 CB . TRP A 100 ? -10.12678 -20.75577 -8.58796 1.000 29.69625 C ? A ? 87 CB 1
   ATOM 759 CG . TRP A 100 ? -10.20987 -22.21640 -8.96618 1.000 30.25285 C ? A ? 87 CG 1
   ATOM 760 CD1 . TRP A 100 ? -9.16007 -23.05262 -9.33824 1.000 29.84507 C ? A ? 87 CD1 1
   ATOM 761 CD2 . TRP A 100 ? -11.39393 -23.00960 -9.02766 1.000 31.50665 C ? A ? 87 CD2 1
   ATOM 762 NE1 . TRP A 100 ? -9.64789 -24.29447 -9.62496 1.000 32.32358 N ? A ? 87 NE1 1
   ATOM 763 CE2 . TRP A 100 ? -11.01023 -24.30155 -9.45218 1.000 32.83433 C ? A ? 87 CE2 1
   ATOM 764 CE3 . TRP A 100 ? -12.75243 -22.74710 -8.78673 1.000 32.34055 C ? A ? 87 CE3 1
   ATOM 765 CZ2 . TRP A 100 ? -11.93887 -25.35265 -9.61159 1.000 33.19608 C ? A ? 87 CZ2 1
   ATOM 766 CZ3 . TRP A 100 ? -13.68299 -23.80667 -8.96168 1.000 32.66919 C ? A ? 87 CZ3 1
   ATOM 767 CH2 . TRP A 100 ? -13.25997 -25.07690 -9.36736 1.000 33.77699 C ? A ? 87 CH2 1
   ATOM 768 N . ASN A 101 ? -11.89768 -17.90621 -9.02969 1.000 23.74277 N ? A ? 88 N 1
   ATOM 769 CA . ASN A 101 ? -12.19783 -16.53620 -8.63873 1.000 26.41925 C ? A ? 88 CA 1
   ATOM 770 C . ASN A 101 ? -12.82637 -16.60460 -7.25414 1.000 27.49232 C ? A ? 88 C 1
   ATOM 771 O . ASN A 101 ? -13.92702 -17.16293 -7.09351 1.000 26.55605 O ? A ? 88 O 1
   ATOM 772 CB . ASN A 101 ? -13.15884 -15.93026 -9.67692 1.000 26.76590 C ? A ? 88 CB 1
   ATOM 773 CG . ASN A 101 ? -13.60008 -14.53567 -9.34087 1.000 37.27158 C ? A ? 88 CG 1
   ATOM 774 OD1 . ASN A 101 ? -13.25191 -13.98177 -8.29569 1.000 25.94833 O ? A ? 88 OD1 1
   ATOM 775 ND2 . ASN A 101 ? -14.37746 -13.95463 -10.23212 1.000 28.69681 N ? A ? 88 ND2 1
   ATOM 776 N . LEU A 102 ? -12.12098 -16.06360 -6.25614 1.000 24.71990 N ? A ? 89 N 1
   ATOM 777 CA . LEU A 102 ? -12.73892 -15.80514 -4.95325 1.000 26.09371 C ? A ? 89 CA 1
   ATOM 778 C . LEU A 102 ? -13.44076 -14.47252 -5.04587 1.000 29.05628 C ? A ? 89 C 1
   ATOM 779 O . LEU A 102 ? -12.79165 -13.42420 -5.06093 1.000 25.38225 O ? A ? 89 O 1
   ATOM 780 CB . LEU A 102 ? -11.71168 -15.76673 -3.82894 1.000 28.59322 C ? A ? 89 CB 1
   ATOM 781 CG . LEU A 102 ? -10.93276 -17.07001 -3.78592 1.000 27.93541 C ? A ? 89 CG 1
   ATOM 782 CD1 . LEU A 102 ? -10.04116 -17.04776 -2.55212 1.000 31.15439 C ? A ? 89 CD1 1
   ATOM 783 CD2 . LEU A 102 ? -11.90695 -18.21792 -3.73056 1.000 29.05321 C ? A ? 89 CD2 1
   ATOM 784 N . LEU A 103 ? -14.74644 -14.50725 -5.11100 1.000 25.67296 N ? A ? 90 N 1
   ATOM 785 CA . LEU A 103 ? -15.54204 -13.30878 -5.37113 1.000 27.60878 C ? A ? 90 CA 1
   ATOM 786 C . LEU A 103 ? -16.15924 -12.77565 -4.09856 1.000 27.57304 C ? A ? 90 C 1
   ATOM 787 O . LEU A 103 ? -17.03140 -13.42769 -3.51870 1.000 27.45855 O ? A ? 90 O 1
   ATOM 788 CB . LEU A 103 ? -16.66551 -13.63503 -6.34100 1.000 26.80338 C ? A ? 90 CB 1
   ATOM 789 CG . LEU A 103 ? -17.66015 -12.49411 -6.58093 1.000 28.14664 C ? A ? 90 CG 1
   ATOM 790 CD1 . LEU A 103 ? -16.92736 -11.37073 -7.35393 1.000 25.65428 C ? A ? 90 CD1 1
   ATOM 791 CD2 . LEU A 103 ? -18.87414 -12.95991 -7.37624 1.000 26.31702 C ? A ? 90 CD2 1
   ATOM 792 N . THR A 104 ? -15.81250 -11.53989 -3.74705 1.000 26.33563 N ? A ? 91 N 1
   ATOM 793 CA . THR A 104 ? -16.39605 -10.85824 -2.60831 1.000 27.56729 C ? A ? 91 CA 1
   ATOM 794 C . THR A 104 ? -17.39222 -9.82860 -3.10187 1.000 28.39503 C ? A ? 91 C 1
   ATOM 795 O . THR A 104 ? -17.06747 -9.04107 -3.98386 1.000 28.61780 O ? A ? 91 O 1
   ATOM 796 CB . THR A 104 ? -15.31008 -10.16916 -1.78816 1.000 29.00141 C ? A ? 91 CB 1
   ATOM 797 OG1 . THR A 104 ? -14.56666 -11.16076 -1.06904 1.000 30.20985 O ? A ? 91 OG1 1
   ATOM 798 CG2 . THR A 104 ? -15.93853 -9.18611 -0.82796 1.000 34.91222 C ? A ? 91 CG2 1
   ATOM 799 N . LEU A 105 ? -18.58832 -9.83108 -2.52739 1.000 27.82905 N ? A ? 92 N 1
   ATOM 800 CA . LEU A 105 ? -19.66347 -8.92475 -2.93010 1.000 28.57178 C ? A ? 92 CA 1
   ATOM 801 C . LEU A 105 ? -20.10791 -8.08699 -1.74999 1.000 30.09223 C ? A ? 92 C 1
   ATOM 802 O . LEU A 105 ? -20.24039 -8.61911 -0.64418 1.000 27.04397 O ? A ? 92 O 1
   ATOM 803 CB . LEU A 105 ? -20.89237 -9.67848 -3.43207 1.000 29.48721 C ? A ? 92 CB 1
   ATOM 804 CG . LEU A 105 ? -20.61568 -10.44523 -4.68929 1.000 29.14082 C ? A ? 92 CG 1
   ATOM 805 CD1 . LEU A 105 ? -21.81327 -11.34791 -4.93545 1.000 29.05450 C ? A ? 92 CD1 1
   ATOM 806 CD2 . LEU A 105 ? -20.45117 -9.43156 -5.75771 1.000 31.01952 C ? A ? 92 CD2 1
   ATOM 807 N . ALA A 106 ? -20.40052 -6.78681 -2.00511 1.000 29.25114 N ? A ? 93 N 1
   ATOM 808 CA . ALA A 106 ? -20.89587 -5.89685 -0.95680 1.000 31.21028 C ? A ? 93 CA 1
   ATOM 809 C . ALA A 106 ? -21.90954 -4.92475 -1.55197 1.000 37.26711 C ? A ? 93 C 1
   ATOM 810 O . ALA A 106 ? -21.63397 -4.31188 -2.60220 1.000 29.06159 O ? A ? 93 O 1
   ATOM 811 CB . ALA A 106 ? -19.74942 -5.12320 -0.30641 1.000 32.38960 C ? A ? 93 CB 1
   ATOM 812 N . PRO A 107 ? -23.04563 -4.71797 -0.89240 1.000 31.36488 N ? A ? 94 N 1
   ATOM 813 CA . PRO A 107 ? -24.01523 -3.71492 -1.37252 1.000 33.09969 C ? A ? 94 CA 1
   ATOM 814 C . PRO A 107 ? -23.53831 -2.30123 -1.09586 1.000 34.88608 C ? A ? 94 C 1
   ATOM 815 O . PRO A 107 ? -22.72681 -2.04599 -0.20642 1.000 34.41030 O ? A ? 94 O 1
   ATOM 816 CB . PRO A 107 ? -25.28126 -4.01950 -0.57218 1.000 33.96099 C ? A ? 94 CB 1
   ATOM 817 CG . PRO A 107 ? -24.79135 -4.70850 0.69303 1.000 34.54851 C ? A ? 94 CG 1
   ATOM 818 CD . PRO A 107 ? -23.44877 -5.35002 0.37709 1.000 31.63189 C ? A ? 94 CD 1
   ATOM 819 N . ILE A 108 ? -24.03192 -1.37589 -1.91239 1.000 35.95280 N ? A ? 95 N 1
   ATOM 820 CA . ILE A 108 ? -23.84360 0.05337 -1.69493 1.000 38.20618 C ? A ? 95 CA 1
   ATOM 821 C . ILE A 108 ? -25.21960 0.69048 -1.56839 1.000 43.88710 C ? A ? 95 C 1
   ATOM 822 O . ILE A 108 ? -26.06489 0.54951 -2.46311 1.000 41.45467 O ? A ? 95 O 1
   ATOM 823 CB . ILE A 108 ? -23.06260 0.70786 -2.84154 1.000 38.76747 C ? A ? 95 CB 1
   ATOM 824 CG1 . ILE A 108 ? -21.83335 -0.14233 -3.21447 1.000 37.57705 C ? A ? 95 CG1 1
   ATOM 825 CG2 . ILE A 108 ? -22.69244 2.15294 -2.44063 1.000 40.09284 C ? A ? 95 CG2 1
   ATOM 826 CD1 . ILE A 108 ? -20.69704 0.03782 -2.27912 1.000 40.09984 C ? A ? 95 CD1 1
   ATOM 827 N . LYS A 109 ? -25.43040 1.41354 -0.48785 1.000 45.67316 N ? A ? 96 N 1
   ATOM 828 CA . LYS A 109 ? -26.72719 2.00747 -0.24025 1.000 54.82662 C ? A ? 96 CA 1
   ATOM 829 C . LYS A 109 ? -26.59289 3.52105 -0.30820 1.000 55.92660 C ? A ? 96 C 1
   ATOM 830 O . LYS A 109 ? -25.56877 4.09423 0.08030 1.000 54.28624 O ? A ? 96 O 1
   ATOM 831 CB . LYS A 109 ? -27.28833 1.59836 1.11599 1.000 64.63042 C ? A ? 96 CB 1
   ATOM 832 CG . LYS A 109 ? -27.20917 0.10773 1.40905 1.000 54.90446 C ? A ? 96 CG 1
   ATOM 833 CD . LYS A 109 ? -28.29257 -0.29414 2.39995 1.000 61.08395 C ? A ? 96 CD 1
   ATOM 834 CE . LYS A 109 ? -27.95152 -1.58153 3.13906 1.000 63.82811 C ? A ? 96 CE 1
   ATOM 835 NZ . LYS A 109 ? -27.94347 -2.74289 2.19893 1.000 56.61869 N ? A ? 96 NZ 1
   ATOM 836 N . ASN A 110 ? -27.62936 4.17590 -0.81658 1.000 59.52432 N ? A ? 97 N 1
   ATOM 837 CA . ASN A 110 ? -27.60867 5.62930 -0.77973 1.000 80.71720 C ? A ? 97 CA 1
   ATOM 838 C . ASN A 110 ? -27.97290 6.12349 0.61395 1.000 75.15581 C ? A ? 97 C 1
   ATOM 839 O . ASN A 110 ? -28.29430 5.35727 1.53256 1.000 70.93898 O ? A ? 97 O 1
   ATOM 840 CB . ASN A 110 ? -28.53578 6.23238 -1.82790 1.000 65.72978 C ? A ? 97 CB 1
   ATOM 841 CG . ASN A 110 ? -29.96118 5.78043 -1.68622 1.000 66.73000 C ? A ? 97 CG 1
   ATOM 842 OD1 . ASN A 110 ? -30.36437 5.25157 -0.64566 1.000 66.61020 O ? A ? 97 OD1 1
   ATOM 843 ND2 . ASN A 110 ? -30.75447 5.99614 -2.75211 1.000 62.73508 N ? A ? 97 ND2 1
   ATOM 844 N . GLU A 111 ? -27.91708 7.44020 0.75831 1.000 93.82944 N ? A ? 98 N 1
   ATOM 845 CA . GLU A 111 ? -28.22122 8.07064 2.03307 1.000 93.61014 C ? A ? 98 CA 1
   ATOM 846 C . GLU A 111 ? -29.60144 7.67042 2.54308 1.000 79.36278 C ? A ? 98 C 1
   ATOM 847 O . GLU A 111 ? -29.79540 7.53439 3.75941 1.000 78.72152 O ? A ? 98 O 1
   ATOM 848 CB . GLU A 111 ? -28.09334 9.58499 1.88186 1.000 88.32751 C ? A ? 98 CB 1
   ATOM 849 CG . GLU A 111 ? -26.76109 10.01846 1.23710 1.000 110.13954 C ? A ? 98 CG 1
   ATOM 850 CD . GLU A 111 ? -26.83493 10.21171 -0.28809 1.000 121.50093 C ? A ? 98 CD 1
   ATOM 851 OE1 . GLU A 111 ? -26.13676 11.11933 -0.80572 1.000 119.99945 O ? A ? 98 OE1 1
   ATOM 852 OE2 . GLU A 111 ? -27.58750 9.47319 -0.96837 1.000 113.80998 O ? A ? 98 OE2 1
   ATOM 853 N . GLN A 112 ? -30.55926 7.45079 1.63221 1.000 76.43856 N ? A ? 99 N 1
   ATOM 854 CA . GLN A 112 ? -31.84469 6.86541 2.01224 1.000 73.42044 C ? A ? 99 CA 1
   ATOM 855 C . GLN A 112 ? -31.63547 5.53227 2.70965 1.000 78.21405 C ? A ? 99 C 1
   ATOM 856 O . GLN A 112 ? -32.05743 5.33621 3.85650 1.000 79.23238 O ? A ? 99 O 1
   ATOM 857 CB . GLN A 112 ? -32.73954 6.69003 0.77568 1.000 72.11958 C ? A ? 99 CB 1
   ATOM 858 CG . GLN A 112 ? -34.18570 6.27467 1.05248 1.000 74.88538 C ? A ? 99 CG 1
   ATOM 859 CD . GLN A 112 ? -34.44444 4.77403 1.06601 1.000 95.02148 C ? A ? 99 CD 1
   ATOM 860 OE1 . GLN A 112 ? -33.77183 4.00762 1.76993 1.000 88.50364 O ? A ? 99 OE1 1
   ATOM 861 NE2 . GLN A 112 ? -35.45207 4.34327 0.32246 1.000 106.19227 N ? A ? 99 NE2 1
   ATOM 862 N . GLY A 113 ? -30.99916 4.59048 2.01442 1.000 76.54616 N ? A ? 100 N 1
   ATOM 863 CA . GLY A 113 ? -30.70477 3.30402 2.61021 1.000 69.85021 C ? A ? 100 CA 1
   ATOM 864 C . GLY A 113 ? -31.15909 2.13002 1.77860 1.000 68.72833 C ? A ? 100 C 1
   ATOM 865 O . GLY A 113 ? -31.25333 1.00559 2.28239 1.000 70.58500 O ? A ? 100 O 1
   ATOM 866 N . ALA A 114 ? -31.44966 2.35676 0.50808 1.000 68.72236 N ? A ? 101 N 1
   ATOM 867 CA . ALA A 114 ? -31.64781 1.21352 -0.36419 1.000 84.62017 C ? A ? 101 CA 1
   ATOM 868 C . ALA A 114 ? -30.42206 1.00722 -1.25225 1.000 67.96734 C ? A ? 101 C 1
   ATOM 869 O . ALA A 114 ? -29.56459 1.88542 -1.40588 1.000 54.09442 O ? A ? 101 O 1
   ATOM 870 CB . ALA A 114 ? -32.91350 1.36752 -1.20876 1.000 60.22481 C ? A ? 101 CB 1
   ATOM 871 N . VAL A 115 ? -30.34667 -0.18902 -1.82330 1.000 57.20300 N ? A ? 102 N 1
   ATOM 872 CA . VAL A 115 ? -29.15640 -0.62959 -2.53771 1.000 45.61794 C ? A ? 102 CA 1
   ATOM 873 C . VAL A 115 ? -29.18751 -0.01754 -3.92938 1.000 42.91695 C ? A ? 102 C 1
   ATOM 874 O . VAL A 115 ? -30.07603 -0.32684 -4.73012 1.000 43.55433 O ? A ? 102 O 1
   ATOM 875 CB . VAL A 115 ? -29.09797 -2.15606 -2.59757 1.000 41.96063 C ? A ? 102 CB 1
   ATOM 876 CG1 . VAL A 115 ? -27.94597 -2.60942 -3.46178 1.000 39.67559 C ? A ? 102 CG1 1
   ATOM 877 CG2 . VAL A 115 ? -28.96794 -2.69107 -1.19193 1.000 42.64582 C ? A ? 102 CG2 1
   ATOM 878 N A VAL A 116 ? -28.23454 0.86689 -4.21597 0.262 44.66617 N ? A ? 103 N 1
   ATOM 879 CA A VAL A 116 ? -28.12316 1.43756 -5.55209 0.262 42.03498 C ? A ? 103 CA 1
   ATOM 880 C A VAL A 116 ? -27.03262 0.76815 -6.38326 0.262 44.83279 C ? A ? 103 C 1
   ATOM 881 O A VAL A 116 ? -27.10809 0.79867 -7.62130 0.262 42.84433 O ? A ? 103 O 1
   ATOM 882 CB A VAL A 116 ? -27.89792 2.96268 -5.48245 0.262 42.51853 C ? A ? 103 CB 1
   ATOM 883 CG1 A VAL A 116 ? -29.17436 3.65316 -5.01869 0.262 44.14790 C ? A ? 103 CG1 1
   ATOM 884 CG2 A VAL A 116 ? -26.75705 3.30402 -4.53332 0.262 45.79299 C ? A ? 103 CG2 1
   ATOM 885 N B VAL A 116 ? -28.23698 0.87384 -4.22073 0.738 44.08125 N ? A ? 103 N 1
   ATOM 886 CA B VAL A 116 ? -28.14088 1.41594 -5.57401 0.738 42.10509 C ? A ? 103 CA 1
   ATOM 887 C B VAL A 116 ? -27.02579 0.76479 -6.39390 0.738 44.90762 C ? A ? 103 C 1
   ATOM 888 O B VAL A 116 ? -27.08443 0.79096 -7.63429 0.738 43.57677 O ? A ? 103 O 1
   ATOM 889 CB B VAL A 116 ? -27.99733 2.95512 -5.55389 0.738 42.37328 C ? A ? 103 CB 1
   ATOM 890 CG1 B VAL A 116 ? -29.09481 3.57204 -4.65820 0.738 44.60202 C ? A ? 103 CG1 1
   ATOM 891 CG2 B VAL A 116 ? -26.62010 3.42157 -5.09302 0.738 46.75613 C ? A ? 103 CG2 1
   ATOM 892 N . LYS A 117 ? -26.04423 0.14088 -5.75016 1.000 40.47393 N ? A ? 104 N 1
   ATOM 893 CA . LYS A 117 ? -24.93440 -0.45483 -6.48338 1.000 37.78071 C ? A ? 104 CA 1
   ATOM 894 C . LYS A 117 ? -24.40748 -1.64106 -5.68212 1.000 36.54030 C ? A ? 104 C 1
   ATOM 895 O . LYS A 117 ? -24.67997 -1.78534 -4.48650 1.000 33.83260 O ? A ? 104 O 1
   ATOM 896 CB . LYS A 117 ? -23.79830 0.55398 -6.74175 1.000 37.24738 C ? A ? 104 CB 1
   ATOM 897 CG . LYS A 117 ? -24.10057 1.65936 -7.73276 1.000 40.93632 C ? A ? 104 CG 1
   ATOM 898 CD . LYS A 117 ? -23.04746 2.73497 -7.65446 1.000 43.18514 C ? A ? 104 CD 1
   ATOM 899 CE . LYS A 117 ? -23.44234 4.00788 -8.46178 1.000 55.40857 C ? A ? 104 CE 1
   ATOM 900 NZ . LYS A 117 ? -23.48265 5.19346 -7.53208 1.000 66.04089 N ? A ? 104 NZ 1
   ATOM 901 N . PHE A 118 ? -23.65407 -2.48936 -6.35518 1.000 32.99147 N ? A ? 105 N 1
   ATOM 902 CA . PHE A 118 ? -22.93052 -3.55602 -5.69315 1.000 33.10895 C ? A ? 105 CA 1
   ATOM 903 C . PHE A 118 ? -21.49952 -3.47469 -6.16398 1.000 29.61033 C ? A ? 105 C 1
   ATOM 904 O . PHE A 118 ? -21.25576 -3.15445 -7.33651 1.000 27.87829 O ? A ? 105 O 1
   ATOM 905 CB . PHE A 118 ? -23.49273 -4.93286 -6.03677 1.000 32.70927 C ? A ? 105 CB 1
   ATOM 906 CG . PHE A 118 ? -24.29076 -5.55536 -4.94243 1.000 33.26119 C ? A ? 105 CG 1
   ATOM 907 CD1 . PHE A 118 ? -23.68433 -6.40685 -4.04910 1.000 32.08125 C ? A ? 105 CD1 1
   ATOM 908 CD2 . PHE A 118 ? -25.66262 -5.32741 -4.83491 1.000 34.30292 C ? A ? 105 CD2 1
   ATOM 909 CE1 . PHE A 118 ? -24.40275 -7.01527 -3.03648 1.000 33.12230 C ? A ? 105 CE1 1
   ATOM 910 CE2 . PHE A 118 ? -26.40021 -5.92548 -3.83791 1.000 35.06785 C ? A ? 105 CE2 1
   ATOM 911 CZ . PHE A 118 ? -25.75981 -6.78301 -2.93095 1.000 34.72305 C ? A ? 105 CZ 1
   ATOM 912 N . ILE A 119 ? -20.55208 -3.73568 -5.25717 1.000 26.80063 N ? A ? 106 N 1
   ATOM 913 CA . ILE A 119 ? -19.14640 -3.87248 -5.63170 1.000 28.25618 C ? A ? 106 CA 1
   ATOM 914 C . ILE A 119 ? -18.79460 -5.34702 -5.50526 1.000 28.80306 C ? A ? 106 C 1
   ATOM 915 O . ILE A 119 ? -19.32307 -6.04996 -4.63457 1.000 28.66562 O ? A ? 106 O 1
   ATOM 916 CB . ILE A 119 ? -18.19765 -2.98490 -4.78548 1.000 29.01862 C ? A ? 106 CB 1
   ATOM 917 CG1 . ILE A 119 ? -16.74054 -3.12140 -5.29789 1.000 30.51715 C ? A ? 106 CG1 1
   ATOM 918 CG2 . ILE A 119 ? -18.33884 -3.27600 -3.29099 1.000 35.94815 C ? A ? 106 CG2 1
   ATOM 919 CD1 . ILE A 119 ? -15.76430 -2.11718 -4.71306 1.000 36.28537 C ? A ? 106 CD1 1
   ATOM 920 N . GLY A 120 ? -18.03429 -5.84760 -6.46928 1.000 28.74680 N ? A ? 107 N 1
   ATOM 921 CA . GLY A 120 ? -17.59848 -7.22200 -6.39631 1.000 27.61967 C ? A ? 107 CA 1
   ATOM 922 C . GLY A 120 ? -16.10472 -7.15998 -6.54657 1.000 28.74270 C ? A ? 107 C 1
   ATOM 923 O . GLY A 120 ? -15.60920 -6.51857 -7.46926 1.000 27.87495 O ? A ? 107 O 1
   ATOM 924 N . MET A 121 ? -15.37208 -7.78908 -5.65025 1.000 27.84963 N ? A ? 108 N 1
   ATOM 925 CA . MET A 121 ? -13.92606 -7.80704 -5.69024 1.000 31.02989 C ? A ? 108 CA 1
   ATOM 926 C . MET A 121 ? -13.49157 -9.22365 -5.99077 1.000 28.23385 C ? A ? 108 C 1
   ATOM 927 O . MET A 121 ? -13.87022 -10.14654 -5.26489 1.000 26.11725 O ? A ? 108 O 1
   ATOM 928 CB . MET A 121 ? -13.34998 -7.35308 -4.35893 1.000 32.35938 C ? A ? 108 CB 1
   ATOM 929 CG . MET A 121 ? -13.52362 -5.85351 -4.18125 1.000 39.11239 C ? A ? 108 CG 1
   ATOM 930 SD . MET A 121 ? -12.93227 -5.34496 -2.57185 1.000 54.05885 S ? A ? 108 SD 1
   ATOM 931 CE . MET A 121 ? -14.48733 -5.20066 -1.68475 1.000 45.01783 C ? A ? 108 CE 1
   ATOM 932 N . GLN A 122 ? -12.72383 -9.38855 -7.06723 1.000 26.29148 N ? A ? 109 N 1
   ATOM 933 CA . GLN A 122 ? -12.32449 -10.69196 -7.56260 1.000 29.42214 C ? A ? 109 CA 1
   ATOM 934 C . GLN A 122 ? -10.89398 -10.96426 -7.15951 1.000 30.98702 C ? A ? 109 C 1
   ATOM 935 O . GLN A 122 ? -10.04084 -10.08551 -7.23517 1.000 27.24195 O ? A ? 109 O 1
   ATOM 936 CB . GLN A 122 ? -12.44364 -10.74156 -9.09348 1.000 28.51501 C ? A ? 109 CB 1
   ATOM 937 CG . GLN A 122 ? -13.88761 -10.69483 -9.60708 1.000 27.55144 C ? A ? 109 CG 1
   ATOM 938 CD . GLN A 122 ? -14.35450 -9.30895 -9.97587 1.000 27.03364 C ? A ? 109 CD 1
   ATOM 939 OE1 . GLN A 122 ? -13.59337 -8.36260 -9.90140 1.000 27.13224 O ? A ? 109 OE1 1
   ATOM 940 NE2 . GLN A 122 ? -15.62469 -9.18134 -10.39577 1.000 27.30616 N ? A ? 109 NE2 1
   ATOM 941 N A VAL A 123 ? -10.62521 -12.19289 -6.73676 0.421 29.82623 N ? A ? 110 N 1
   ATOM 942 CA A VAL A 123 ? -9.27261 -12.62944 -6.41411 0.421 31.56172 C ? A ? 110 CA 1
   ATOM 943 C A VAL A 123 ? -8.97641 -13.86301 -7.24005 0.421 32.12508 C ? A ? 110 C 1
   ATOM 944 O A VAL A 123 ? -9.67443 -14.86954 -7.10789 0.421 30.44595 O ? A ? 110 O 1
   ATOM 945 CB A VAL A 123 ? -9.11939 -12.94611 -4.91977 0.421 32.35836 C ? A ? 110 CB 1
   ATOM 946 CG1 A VAL A 123 ? -7.80726 -13.67271 -4.66581 0.421 37.58886 C ? A ? 110 CG1 1
   ATOM 947 CG2 A VAL A 123 ? -9.20752 -11.66861 -4.10165 0.421 35.63847 C ? A ? 110 CG2 1
   ATOM 948 N B VAL A 123 ? -10.62779 -12.18798 -6.72530 0.579 29.78814 N ? A ? 110 N 1
   ATOM 949 CA B VAL A 123 ? -9.27376 -12.62611 -6.41685 0.579 31.67972 C ? A ? 110 CA 1
   ATOM 950 C B VAL A 123 ? -8.98923 -13.85123 -7.25490 0.579 32.20214 C ? A ? 110 C 1
   ATOM 951 O B VAL A 123 ? -9.70557 -14.84467 -7.14164 0.579 30.36596 O ? A ? 110 O 1
   ATOM 952 CB B VAL A 123 ? -9.11375 -12.95985 -4.92774 0.579 32.55406 C ? A ? 110 CB 1
   ATOM 953 CG1 B VAL A 123 ? -7.81151 -13.70647 -4.69046 0.579 38.20401 C ? A ? 110 CG1 1
   ATOM 954 CG2 B VAL A 123 ? -9.18332 -11.68739 -4.09976 0.579 35.91208 C ? A ? 110 CG2 1
   ATOM 955 N . GLU A 124 ? -7.92943 -13.80969 -8.06271 1.000 32.88429 N ? A ? 111 N 1
   ATOM 956 CA . GLU A 124 ? -7.51384 -14.99983 -8.79608 1.000 33.26955 C ? A ? 111 CA 1
   ATOM 957 C . GLU A 124 ? -6.63978 -15.85862 -7.89109 1.000 34.94008 C ? A ? 111 C 1
   ATOM 958 O . GLU A 124 ? -5.54353 -15.45168 -7.51919 1.000 39.24677 O ? A ? 111 O 1
   ATOM 959 CB . GLU A 124 ? -6.78145 -14.63638 -10.08758 1.000 35.32516 C ? A ? 111 CB 1
   ATOM 960 CG . GLU A 124 ? -6.35191 -15.82709 -10.96471 1.000 35.39840 C ? A ? 111 CG 1
   ATOM 961 CD . GLU A 124 ? -5.60996 -15.39843 -12.23610 1.000 37.01687 C ? A ? 111 CD 1
   ATOM 962 OE1 . GLU A 124 ? -5.41705 -14.18165 -12.45290 1.000 39.13060 O ? A ? 111 OE1 1
   ATOM 963 OE2 . GLU A 124 ? -5.20958 -16.28061 -13.02733 1.000 42.49797 O ? A ? 111 OE2 1
   ATOM 964 N A VAL A 125 ? -7.12873 -17.05625 -7.55815 0.714 35.63608 N ? A ? 112 N 1
   ATOM 965 CA A VAL A 125 ? -6.39994 -17.98242 -6.69876 0.714 41.65863 C ? A ? 112 CA 1
   ATOM 966 C A VAL A 125 ? -5.09969 -18.41356 -7.36717 0.714 40.43370 C ? A ? 112 C 1
   ATOM 967 O A VAL A 125 ? -5.09907 -18.88747 -8.51084 0.714 38.55281 O ? A ? 112 O 1
   ATOM 968 CB A VAL A 125 ? -7.25192 -19.23179 -6.40329 0.714 33.12545 C ? A ? 112 CB 1
   ATOM 969 CG1 A VAL A 125 ? -6.40061 -20.30810 -5.70784 0.714 38.02878 C ? A ? 112 CG1 1
   ATOM 970 CG2 A VAL A 125 ? -8.52909 -18.91485 -5.58388 0.714 33.01760 C ? A ? 112 CG2 1
   ATOM 971 N B VAL A 125 ? -7.11936 -17.04375 -7.52649 0.286 34.71816 N ? A ? 112 N 1
   ATOM 972 CA B VAL A 125 ? -6.36057 -17.87569 -6.60618 0.286 41.60960 C ? A ? 112 CA 1
   ATOM 973 C B VAL A 125 ? -5.05067 -18.30067 -7.26547 0.286 40.69820 C ? A ? 112 C 1
   ATOM 974 O B VAL A 125 ? -4.99999 -18.61068 -8.46587 0.286 39.08812 O ? A ? 112 O 1
   ATOM 975 CB B VAL A 125 ? -7.19634 -19.08852 -6.15081 0.286 33.10446 C ? A ? 112 CB 1
   ATOM 976 CG1 B VAL A 125 ? -8.68900 -18.73693 -6.08711 0.286 33.50308 C ? A ? 112 CG1 1
   ATOM 977 CG2 B VAL A 125 ? -6.97026 -20.29723 -7.04317 0.286 32.63578 C ? A ? 112 CG2 1
   ATOM 978 N A THR A 126 ? -3.98598 -18.29242 -6.64485 0.714 43.81034 N ? A ? 113 N 1
   ATOM 979 CA A THR A 126 ? -2.70795 -18.84734 -7.08613 0.714 44.96939 C ? A ? 113 CA 1
   ATOM 980 C A THR A 126 ? -2.14844 -19.70407 -5.96730 0.714 47.59508 C ? A ? 113 C 1
   ATOM 981 O A THR A 126 ? -2.76067 -19.86804 -4.91537 0.714 44.81697 O ? A ? 113 O 1
   ATOM 982 CB A THR A 126 ? -1.67614 -17.75959 -7.44192 0.714 51.29030 C ? A ? 113 CB 1
   ATOM 983 OG1 A THR A 126 ? -1.41091 -16.95272 -6.28476 0.714 54.43374 O ? A ? 113 OG1 1
   ATOM 984 CG2 A THR A 126 ? -2.17557 -16.86895 -8.56043 0.714 62.75118 C ? A ? 113 CG2 1
   ATOM 985 N B THR A 126 ? -3.96875 -18.26131 -6.49132 0.286 43.85644 N ? A ? 113 N 1
   ATOM 986 CA B THR A 126 ? -2.64693 -18.66538 -6.95143 0.286 45.41339 C ? A ? 113 CA 1
   ATOM 987 C B THR A 126 ? -1.98645 -19.44368 -5.83113 0.286 47.32370 C ? A ? 113 C 1
   ATOM 988 O B THR A 126 ? -2.39469 -19.34504 -4.67065 0.286 48.34750 O ? A ? 113 O 1
   ATOM 989 CB B THR A 126 ? -1.74815 -17.46656 -7.31449 0.286 49.22543 C ? A ? 113 CB 1
   ATOM 990 OG1 B THR A 126 ? -1.88607 -16.44780 -6.31686 0.286 51.83126 O ? A ? 113 OG1 1
   ATOM 991 CG2 B THR A 126 ? -2.11103 -16.88805 -8.65939 0.286 62.30870 C ? A ? 113 CG2 1
   ATOM 992 N . GLN A 127 ? -0.94031 -20.19529 -6.17660 1.000 47.95789 N ? A ? 114 N 1
   ATOM 993 CA . GLN A 127 ? -0.23000 -20.94952 -5.15872 1.000 53.13750 C ? A ? 114 CA 1
   ATOM 994 C . GLN A 127 ? 0.45909 -19.98421 -4.19446 1.000 56.65805 C ? A ? 114 C 1
   ATOM 995 O . GLN A 127 ? 1.26609 -19.14541 -4.61247 1.000 49.90780 O ? A ? 114 O 1
   ATOM 996 CB . GLN A 127 ? 0.78706 -21.88907 -5.80870 1.000 74.46829 C ? A ? 114 CB 1
   ATOM 997 CG . GLN A 127 ? 0.20923 -23.23141 -6.26932 1.000 91.63706 C ? A ? 114 CG 1
   ATOM 998 CD . GLN A 127 ? 1.23130 -24.37204 -6.18697 1.000 110.76407 C ? A ? 114 CD 1
   ATOM 999 OE1 . GLN A 127 ? 2.31709 -24.20307 -5.61732 1.000 104.21901 O ? A ? 114 OE1 1
   ATOM 1000 NE2 . GLN A 127 ? 0.88301 -25.54014 -6.74901 1.000 86.11457 N ? A ? 114 NE2 1
   ATOM 1001 N . PHE A 128 ? 0.11397 -20.07926 -2.91291 1.000 48.27035 N ? A ? 115 N 1
   ATOM 1002 CA . PHE A 128 ? 0.87794 -19.45768 -1.83544 1.000 47.15999 C ? A ? 115 CA 1
   ATOM 1003 C . PHE A 128 ? 1.95109 -20.45980 -1.38467 1.000 48.14178 C ? A ? 115 C 1
   ATOM 1004 O . PHE A 128 ? 1.61769 -21.57003 -0.98155 1.000 44.33710 O ? A ? 115 O 1
   ATOM 1005 CB . PHE A 128 ? -0.07532 -19.12202 -0.68807 1.000 49.00850 C ? A ? 115 CB 1
   ATOM 1006 CG . PHE A 128 ? 0.13191 -17.75875 -0.08039 1.000 53.98007 C ? A ? 115 CG 1
   ATOM 1007 CD1 . PHE A 128 ? 1.36140 -17.37771 0.42676 1.000 52.41859 C ? A ? 115 CD1 1
   ATOM 1008 CD2 . PHE A 128 ? -0.93480 -16.86926 0.01571 1.000 57.73260 C ? A ? 115 CD2 1
   ATOM 1009 CE1 . PHE A 128 ? 1.53352 -16.11682 1.01211 1.000 54.73662 C ? A ? 115 CE1 1
   ATOM 1010 CE2 . PHE A 128 ? -0.77078 -15.60940 0.57726 1.000 62.51600 C ? A ? 115 CE2 1
   ATOM 1011 CZ . PHE A 128 ? 0.46908 -15.23413 1.07825 1.000 75.03954 C ? A ? 115 CZ 1
   ATOM 1012 N . THR A 129 ? 3.22238 -20.09934 -1.47677 1.000 45.90309 N ? A ? 116 N 1
   ATOM 1013 CA . THR A 129 ? 4.27296 -21.03449 -1.10182 1.000 46.94146 C ? A ? 116 CA 1
   ATOM 1014 C . THR A 129 ? 4.75957 -20.77611 0.31423 1.000 45.61792 C ? A ? 116 C 1
   ATOM 1015 O . THR A 129 ? 4.69958 -19.65706 0.82943 1.000 44.69657 O ? A ? 116 O 1
   ATOM 1016 CB . THR A 129 ? 5.47432 -20.95060 -2.03980 1.000 53.55661 C ? A ? 116 CB 1
   ATOM 1017 OG1 . THR A 129 ? 6.37768 -19.95413 -1.54804 1.000 50.14286 O ? A ? 116 OG1 1
   ATOM 1018 CG2 . THR A 129 ? 5.04226 -20.58239 -3.43936 1.000 64.43412 C ? A ? 116 CG2 1
   ATOM 1019 N . GLU A 130 ? 5.28263 -21.83806 0.92605 1.000 46.36313 N ? A ? 117 N 1
   ATOM 1020 CA . GLU A 130 ? 5.79887 -21.75003 2.28717 1.000 48.00351 C ? A ? 117 CA 1
   ATOM 1021 C . GLU A 130 ? 6.80227 -20.60342 2.42522 1.000 45.28600 C ? A ? 117 C 1
   ATOM 1022 O . GLU A 130 ? 6.79336 -19.86474 3.41556 1.000 45.86188 O ? A ? 117 O 1
   ATOM 1023 CB . GLU A 130 ? 6.42298 -23.09534 2.65363 1.000 53.15450 C ? A ? 117 CB 1
   ATOM 1024 CG . GLU A 130 ? 6.30230 -23.48237 4.11344 1.000 77.53599 C ? A ? 117 CG 1
   ATOM 1025 CD . GLU A 130 ? 6.71817 -24.92044 4.34463 1.000 77.67648 C ? A ? 117 CD 1
   ATOM 1026 OE1 . GLU A 130 ? 6.66448 -25.36461 5.50771 1.000 78.49646 O ? A ? 117 OE1 1
   ATOM 1027 OE2 . GLU A 130 ? 7.09377 -25.60299 3.36030 1.000 70.03214 O ? A ? 117 OE2 1
   ATOM 1028 N . GLY A 131 ? 7.63231 -20.39265 1.41005 1.000 45.15692 N ? A ? 118 N 1
   ATOM 1029 CA . GLY A 131 ? 8.57571 -19.29178 1.47342 1.000 47.15390 C ? A ? 118 CA 1
   ATOM 1030 C . GLY A 131 ? 7.89965 -17.93839 1.47841 1.000 48.38711 C ? A ? 118 C 1
   ATOM 1031 O . GLY A 131 ? 8.35576 -17.00865 2.14818 1.000 47.10525 O ? A ? 118 O 1
   ATOM 1032 N . GLU A 132 ? 6.81872 -17.79547 0.71657 1.000 48.40272 N ? A ? 119 N 1
   ATOM 1033 CA . GLU A 132 ? 6.16487 -16.49577 0.67279 1.000 51.31682 C ? A ? 119 CA 1
   ATOM 1034 C . GLU A 132 ? 5.41208 -16.23497 1.97446 1.000 45.20457 C ? A ? 119 C 1
   ATOM 1035 O . GLU A 132 ? 5.38315 -15.10197 2.47089 1.000 44.81047 O ? A ? 119 O 1
   ATOM 1036 CB . GLU A 132 ? 5.23869 -16.41407 -0.54754 1.000 56.90218 C ? A ? 119 CB 1
   ATOM 1037 CG . GLU A 132 ? 5.11952 -14.97584 -1.13962 1.000 92.24725 C ? A ? 119 CG 1
   ATOM 1038 CD . GLU A 132 ? 4.86053 -14.90920 -2.67256 1.000 112.87155 C ? A ? 119 CD 1
   ATOM 1039 OE1 . GLU A 132 ? 4.90251 -13.80694 -3.26576 1.000 87.34673 O ? A ? 119 OE1 1
   ATOM 1040 OE2 . GLU A 132 ? 4.61952 -15.95588 -3.31066 1.000 102.58731 O ? A ? 119 OE2 1
   ATOM 1041 N . LEU A 133 ? 4.82908 -17.28263 2.55690 1.000 43.16328 N ? A ? 120 N 1
   ATOM 1042 CA . LEU A 133 ? 4.14728 -17.14098 3.83883 1.000 42.48284 C ? A ? 120 CA 1
   ATOM 1043 C . LEU A 133 ? 5.12214 -16.73669 4.94008 1.000 38.12409 C ? A ? 120 C 1
   ATOM 1044 O . LEU A 133 ? 4.88707 -15.76084 5.66490 1.000 35.49505 O ? A ? 120 O 1
   ATOM 1045 CB . LEU A 133 ? 3.44640 -18.44767 4.18499 1.000 41.59698 C ? A ? 120 CB 1
   ATOM 1046 CG . LEU A 133 ? 2.61108 -18.43280 5.46332 1.000 38.43632 C ? A ? 120 CG 1
   ATOM 1047 CD1 . LEU A 133 ? 1.49090 -17.43623 5.30743 1.000 48.82462 C ? A ? 120 CD1 1
   ATOM 1048 CD2 . LEU A 133 ? 2.07361 -19.82959 5.73071 1.000 47.42220 C ? A ? 120 CD2 1
   ATOM 1049 N . GLU A 134 ? 6.26083 -17.43659 5.03583 1.000 41.22070 N ? A ? 121 N 1
   ATOM 1050 CA . GLU A 134 ? 7.30584 -17.07628 6.00389 1.000 40.90432 C ? A ? 121 CA 1
   ATOM 1051 C . GLU A 134 ? 7.65692 -15.58855 5.96387 1.000 40.06253 C ? A ? 121 C 1
   ATOM 1052 O . GLU A 134 ? 7.72429 -14.92365 7.00547 1.000 35.90321 O ? A ? 121 O 1
   ATOM 1053 CB . GLU A 134 ? 8.54450 -17.93842 5.76389 1.000 47.11097 C ? A ? 121 CB 1
   ATOM 1054 CG . GLU A 134 ? 8.73650 -18.97633 6.83904 1.000 75.29040 C ? A ? 121 CG 1
   ATOM 1055 CD . GLU A 134 ? 9.48209 -20.21377 6.39093 1.000 67.56964 C ? A ? 121 CD 1
   ATOM 1056 OE1 . GLU A 134 ? 9.09057 -21.31632 6.83665 1.000 83.70831 O ? A ? 121 OE1 1
   ATOM 1057 OE2 . GLU A 134 ? 10.45119 -20.09319 5.61154 1.000 72.36713 O ? A ? 121 OE2 1
   ATOM 1058 N . LYS A 135 ? 7.84405 -15.02572 4.77453 1.000 42.15544 N ? A ? 122 N 1
   ATOM 1059 CA . LYS A 135 ? 8.15314 -13.60112 4.71295 1.000 41.62024 C ? A ? 122 CA 1
   ATOM 1060 C . LYS A 135 ? 7.01747 -12.75692 5.26033 1.000 37.65966 C ? A ? 122 C 1
   ATOM 1061 O . LYS A 135 ? 7.25705 -11.77226 5.96434 1.000 42.00702 O ? A ? 122 O 1
   ATOM 1062 CB . LYS A 135 ? 8.47657 -13.18194 3.27383 1.000 48.04892 C ? A ? 122 CB 1
   ATOM 1063 CG . LYS A 135 ? 9.77935 -13.83563 2.74176 1.000 76.52678 C ? A ? 122 CG 1
   ATOM 1064 CD . LYS A 135 ? 9.79498 -13.97000 1.20639 1.000 75.29405 C ? A ? 122 CD 1
   ATOM 1065 CE . LYS A 135 ? 10.79001 -15.02338 0.74802 1.000 80.24293 C ? A ? 122 CE 1
   ATOM 1066 NZ . LYS A 135 ? 10.27115 -15.80157 -0.40292 1.000 82.66969 N ? A ? 122 NZ 1
   ATOM 1067 N . ALA A 136 ? 5.77465 -13.09375 4.90602 1.000 37.54652 N ? A ? 123 N 1
   ATOM 1068 CA . ALA A 136 ? 4.64617 -12.35522 5.45233 1.000 34.84099 C ? A ? 123 CA 1
   ATOM 1069 C . ALA A 136 ? 4.63055 -12.44131 6.98340 1.000 34.51085 C ? A ? 123 C 1
   ATOM 1070 O . ALA A 136 ? 4.33950 -11.46024 7.66704 1.000 33.17666 O ? A ? 123 O 1
   ATOM 1071 CB . ALA A 136 ? 3.33901 -12.88783 4.84526 1.000 36.01263 C ? A ? 123 CB 1
   ATOM 1072 N A MET A 137 ? 4.92737 -13.62403 7.52942 0.458 33.28611 N ? A ? 124 N 1
   ATOM 1073 CA A MET A 137 ? 4.80238 -13.82443 8.97070 0.458 31.86800 C ? A ? 124 CA 1
   ATOM 1074 C A MET A 137 ? 5.93623 -13.13696 9.73315 0.458 31.73469 C ? A ? 124 C 1
   ATOM 1075 O A MET A 137 ? 5.72400 -12.67138 10.85540 0.458 30.37967 O ? A ? 124 O 1
   ATOM 1076 CB A MET A 137 ? 4.76389 -15.32666 9.28703 0.458 32.07860 C ? A ? 124 CB 1
   ATOM 1077 CG A MET A 137 ? 3.54317 -16.08995 8.71994 0.458 32.23158 C ? A ? 124 CG 1
   ATOM 1078 SD A MET A 137 ? 3.70601 -17.90020 8.63835 0.458 32.02032 S ? A ? 124 SD 1
   ATOM 1079 CE A MET A 137 ? 3.45568 -18.45956 10.32561 0.458 37.53221 C ? A ? 124 CE 1
   ATOM 1080 N B MET A 137 ? 4.92670 -13.60851 7.54724 0.542 33.24816 N ? A ? 124 N 1
   ATOM 1081 CA B MET A 137 ? 4.81123 -13.73252 8.99958 0.542 31.84494 C ? A ? 124 CA 1
   ATOM 1082 C B MET A 137 ? 5.94189 -12.99456 9.70153 0.542 31.74011 C ? A ? 124 C 1
   ATOM 1083 O B MET A 137 ? 5.72845 -12.33871 10.72887 0.542 29.99264 O ? A ? 124 O 1
   ATOM 1084 CB B MET A 137 ? 4.78884 -15.20094 9.38603 0.542 31.95325 C ? A ? 124 CB 1
   ATOM 1085 CG B MET A 137 ? 3.47138 -15.83844 9.02476 0.542 31.70489 C ? A ? 124 CG 1
   ATOM 1086 SD B MET A 137 ? 3.29304 -17.50242 9.63891 0.542 29.18735 S ? A ? 124 SD 1
   ATOM 1087 CE B MET A 137 ? 4.66003 -17.72369 10.71862 0.542 47.98058 C ? A ? 124 CE 1
   ATOM 1088 N . ARG A 138 ? 7.13756 -13.06747 9.14940 1.000 32.14879 N ? A ? 125 N 1
   ATOM 1089 CA . ARG A 138 ? 8.29249 -12.44346 9.79095 1.000 33.98254 C ? A ? 125 CA 1
   ATOM 1090 C . ARG A 138 ? 8.01957 -10.96045 9.94540 1.000 33.48407 C ? A ? 125 C 1
   ATOM 1091 O . ARG A 138 ? 7.71163 -10.30303 8.95204 1.000 32.36207 O ? A ? 125 O 1
   ATOM 1092 CB . ARG A 138 ? 9.53112 -12.67068 8.94503 1.000 33.46736 C ? A ? 125 CB 1
   ATOM 1093 CG . ARG A 138 ? 10.81030 -12.10383 9.59253 1.000 34.95113 C ? A ? 125 CG 1
   ATOM 1094 CD . ARG A 138 ? 12.06796 -12.28465 8.71763 1.000 37.04765 C ? A ? 125 CD 1
   ATOM 1095 NE . ARG A 138 ? 12.17458 -13.64261 8.21780 1.000 38.87989 N ? A ? 125 NE 1
   ATOM 1096 CZ . ARG A 138 ? 12.15230 -13.95452 6.93212 1.000 41.87635 C ? A ? 125 CZ 1
   ATOM 1097 NH1 . ARG A 138 ? 12.09974 -13.01397 6.00410 1.000 42.20175 N ? A ? 125 NH1 1
   ATOM 1098 NH2 . ARG A 138 ? 12.15842 -15.23542 6.57661 1.000 41.25003 N ? A ? 125 NH2 1
   ATOM 1099 N . PRO A 139 ? 8.02648 -10.40189 11.20031 1.000 31.14734 N ? A ? 126 N 1
   ATOM 1100 CA . PRO A 139 ? 7.60373 -9.00806 11.41847 1.000 33.84460 C ? A ? 126 CA 1
   ATOM 1101 C . PRO A 139 ? 8.71174 -7.97681 11.21479 1.000 37.05670 C ? A ? 126 C 1
   ATOM 1102 O . PRO A 139 ? 8.89684 -7.05781 12.02214 1.000 35.77992 O ? A ? 126 O 1
   ATOM 1103 CB . PRO A 139 ? 7.14626 -9.02778 12.88731 1.000 29.62478 C ? A ? 126 CB 1
   ATOM 1104 CG . PRO A 139 ? 8.06307 -10.04379 13.52147 1.000 29.35886 C ? A ? 126 CG 1
   ATOM 1105 CD . PRO A 139 ? 8.21305 -11.13400 12.46558 1.000 28.79785 C ? A ? 126 CD 1
   ATOM 1106 N . ASN A 140 ? 9.45690 -8.10410 10.13373 1.000 36.10343 N ? A ? 127 N 1
   ATOM 1107 CA . ASN A 140 ? 10.54601 -7.14553 9.91016 1.000 40.90853 C ? A ? 127 CA 1
   ATOM 1108 C . ASN A 140 ? 10.93336 -7.25644 8.44273 1.000 44.13294 C ? A ? 127 C 1
   ATOM 1109 O . ASN A 140 ? 10.25970 -7.94877 7.66936 1.000 43.38276 O ? A ? 127 O 1
   ATOM 1110 CB . ASN A 140 ? 11.71544 -7.43239 10.87920 1.000 39.42743 C ? A ? 127 CB 1
   ATOM 1111 CG . ASN A 140 ? 12.29232 -8.79297 10.66219 1.000 39.46188 C ? A ? 127 CG 1
   ATOM 1112 OD1 . ASN A 140 ? 12.53880 -9.21048 9.51702 1.000 41.81356 O ? A ? 127 OD1 1
   ATOM 1113 ND2 . ASN A 140 ? 12.43399 -9.54803 11.74069 1.000 35.23712 N ? A ? 127 ND2 1
   ATOM 1114 N . GLY A 141 ? 12.04575 -6.61865 8.06529 1.000 54.15261 N ? A ? 128 N 1
   ATOM 1115 CA . GLY A 141 ? 12.54069 -6.68675 6.69462 1.000 52.86879 C ? A ? 128 CA 1
   ATOM 1116 C . GLY A 141 ? 13.73153 -7.60714 6.42985 1.000 57.44251 C ? A ? 128 C 1
   ATOM 1117 O . GLY A 141 ? 14.37996 -7.49739 5.38056 1.000 71.33092 O ? A ? 128 O 1
   ATOM 1118 N . LEU A 142 ? 14.00275 -8.54489 7.33819 1.000 64.58275 N ? A ? 129 N 1
   ATOM 1119 CA . LEU A 142 ? 15.24796 -9.33038 7.33124 1.000 64.92619 C ? A ? 129 CA 1
   ATOM 1120 C . LEU A 142 ? 15.19995 -10.59649 6.47084 1.000 59.40455 C ? A ? 129 C 1
   ATOM 1121 O . LEU A 142 ? 15.08834 -10.53251 5.25230 1.000 63.12732 O ? A ? 129 O 1
   ATOM 1122 CB . LEU A 142 ? 15.62132 -9.71321 8.77195 1.000 52.21577 C ? A ? 129 CB 1
   ATOM 1123 CG . LEU A 142 ? 16.02605 -8.56903 9.70018 1.000 51.40883 C ? A ? 129 CG 1
   ATOM 1124 CD1 . LEU A 142 ? 16.14511 -9.04867 11.14440 1.000 45.26032 C ? A ? 129 CD1 1
   ATOM 1125 CD2 . LEU A 142 ? 17.33867 -8.03192 9.18293 1.000 53.47260 C ? A ? 129 CD2 1
   HETATM 1126 C1' . FMN A 201 ? -22.38393 -12.64743 -10.61118 1.000 29.28056 C ? B ? . C1' 1
   HETATM 1127 C10 . FMN A 201 ? -20.01086 -12.38167 -10.87144 1.000 28.19869 C ? B ? . C10 1
   HETATM 1128 C2 . FMN A 201 ? -18.97213 -14.23697 -11.78341 1.000 29.86693 C ? B ? . C2 1
   HETATM 1129 C2' . FMN A 201 ? -23.14687 -12.55525 -11.92284 1.000 33.81138 C ? B ? . C2' 1
   HETATM 1130 C3' . FMN A 201 ? -24.61749 -12.92420 -11.65262 1.000 34.97144 C ? B ? . C3' 1
   HETATM 1131 C4 . FMN A 201 ? -17.55982 -12.27704 -11.16865 1.000 28.45034 C ? B ? . C4 1
   HETATM 1132 C4' . FMN A 201 ? -24.84106 -14.32197 -11.07971 1.000 34.47827 C ? B ? . C4' 1
   HETATM 1133 C4A . FMN A 201 ? -18.81619 -11.62066 -10.77105 1.000 27.65714 C ? B ? . C4A 1
   HETATM 1134 C5' . FMN A 201 ? -26.33714 -14.52600 -10.87484 1.000 39.53016 C ? B ? . C5' 1
   HETATM 1135 C5A . FMN A 201 ? -19.93334 -9.80561 -9.87860 1.000 27.94439 C ? B ? . C5A 1
   HETATM 1136 C6 . FMN A 201 ? -19.85047 -8.47039 -9.36730 1.000 27.24645 C ? B ? . C6 1
   HETATM 1137 C7 . FMN A 201 ? -20.93058 -7.77835 -8.92105 1.000 27.86239 C ? B ? . C7 1
   HETATM 1138 C7M . FMN A 201 ? -20.77148 -6.36384 -8.40260 1.000 27.28252 C ? B ? . C7M 1
   HETATM 1139 C8 . FMN A 201 ? -22.17514 -8.42842 -9.02854 1.000 29.27316 C ? B ? . C8 1
   HETATM 1140 C8M . FMN A 201 ? -23.43615 -7.73110 -8.57764 1.000 31.42302 C ? B ? . C8M 1
   HETATM 1141 C9 . FMN A 201 ? -22.28077 -9.74540 -9.50879 1.000 28.61540 C ? B ? . C9 1
   HETATM 1142 C9A . FMN A 201 ? -21.17504 -10.46612 -9.96104 1.000 28.14690 C ? B ? . C9A 1
   HETATM 1143 N1 . FMN A 201 ? -20.09679 -13.61815 -11.34818 1.000 29.03566 N ? B ? . N1 1
   HETATM 1144 N10 . FMN A 201 ? -21.17586 -11.78897 -10.46839 1.000 28.53735 N ? B ? . N10 1
   HETATM 1145 N3 . FMN A 201 ? -17.73699 -13.57674 -11.65938 1.000 26.14809 N ? B ? . N3 1
   HETATM 1146 N5 . FMN A 201 ? -18.76643 -10.37537 -10.29952 1.000 26.90908 N ? B ? . N5 1
   HETATM 1147 O1P . FMN A 201 ? -29.31601 -14.18005 -11.23823 1.000 47.59395 O ? B ? . O1P 1
   HETATM 1148 O2 . FMN A 201 ? -18.98650 -15.39671 -12.22121 1.000 28.05595 O ? B ? . O2 1
   HETATM 1149 O2' . FMN A 201 ? -23.16129 -11.17708 -12.24354 1.000 33.69917 O ? B ? . O2' 1
   HETATM 1150 O2P . FMN A 201 ? -28.83676 -13.36559 -13.60130 1.000 59.58201 O ? B ? . O2P 1
   HETATM 1151 O3' . FMN A 201 ? -25.10693 -11.97991 -10.73108 1.000 34.54524 O ? B ? . O3' 1
   HETATM 1152 O3P . FMN A 201 ? -28.47239 -15.87819 -12.88497 1.000 54.85956 O ? B ? . O3P 1
   HETATM 1153 O4 . FMN A 201 ? -16.40264 -11.82804 -11.00945 1.000 25.81690 O ? B ? . O4 1
   HETATM 1154 O4' . FMN A 201 ? -24.41898 -15.11178 -12.17700 1.000 35.62269 O ? B ? . O4' 1
   HETATM 1155 O5' . FMN A 201 ? -26.92415 -14.12506 -12.11959 1.000 43.73579 O ? B ? . O5' 1
   HETATM 1156 P . FMN A 201 ? -28.52095 -14.40233 -12.53494 1.000 57.08331 P ? B ? . P 1
   HETATM 1157 O . HOH A 301 ? -17.31545 -23.17617 -6.84566 0.805 34.14726 O ? C ? . O 1
   HETATM 1158 O . HOH A 302 ? -7.63898 -24.57328 -5.13757 0.915 40.00061 O ? C ? . O 1
   HETATM 1160 O . HOH A 304 ? -23.35308 -11.10329 -19.61421 0.887 39.23239 O ? C ? . O 1
   HETATM 1161 O . HOH A 306 ? -20.74007 -17.34056 -19.84974 0.830 32.46628 O ? C ? . O 1
   HETATM 1164 O . HOH A 311 ? -13.73967 0.74296 -16.38602 0.747 20.42327 O ? C ? . O 1
   HETATM 1167 O . HOH A 318 ? -15.25599 -15.45944 -20.16364 0.829 24.97342 O ? C ? . O 1
   HETATM 1171 O . HOH A 322 ? -20.90334 -27.34634 -16.73028 0.920 39.59168 O ? C ? . O 1
   HETATM 1174 O . HOH A 326 ? -3.30387 -6.23552 -11.28011 1.000 60.12002 O ? C ? . O 1
   HETATM 1176 O . HOH A 329 ? -27.83036 -21.02194 -10.26873 0.700 37.22856 O ? C ? . O 1
   HETATM 1178 O . HOH A 331 ? -7.28092 -12.61384 -24.91619 0.713 35.28138 O ? C ? . O 1
   HETATM 1179 O . HOH A 332 ? -23.17645 -20.24827 -14.76611 0.718 31.30036 O ? C ? . O 1
   HETATM 1180 O . HOH A 334 ? -12.56097 -11.86894 -2.73664 0.835 26.37231 O ? C ? . O 1
   HETATM 1184 O . HOH A 339 ? -21.20874 2.90367 -16.86294 0.711 33.70038 O ? C ? . O 1
   HETATM 1185 O . HOH A 342 ? -3.63689 -3.58356 -11.12047 1.000 56.44534 O ? C ? . O 1
   HETATM 1188 O . HOH A 345 ? -6.89256 -19.96373 -10.59255 0.761 30.22286 O ? C ? . O 1
   HETATM 1189 O . HOH A 347 ? -17.43330 -22.99311 -9.68423 0.880 29.90493 O ? C ? . O 1
   HETATM 1191 O . HOH A 349 ? -26.65343 -16.11815 -0.23853 0.932 40.97190 O ? C ? . O 1
   HETATM 1192 O . HOH A 350 ? -5.28949 -8.12125 -11.85851 0.912 35.81632 O ? C ? . O 1
   HETATM 1198 O . HOH A 358 ? -6.22704 -22.97087 -15.22767 0.710 32.44494 O ? C ? . O 1
   HETATM 1200 O . HOH A 361 ? -23.11240 -26.98139 -11.10438 1.000 46.62411 O ? C ? . O 1
   HETATM 1204 O . HOH A 370 ? -8.99688 -3.56378 -0.31188 1.000 52.88922 O ? C ? . O 1
   HETATM 1216 O . HOH A 387 ? -6.27410 -23.92704 -12.93203 0.707 37.96634 O ? C ? . O 1
   HETATM 1578 O . HOH S 388 ? -6.47269 -2.14632 -10.32660 0.644 34.91724 O ? D ? . O 1
   HETATM 1579 O . HOH S 389 ? -23.03386 -8.35158 -12.97789 0.946 43.60728 O ? D ? . O 1
   HETATM 1581 O . HOH S 391 ? -12.86212 -4.39214 6.76392 0.941 50.88154 O ? D ? . O 1
   HETATM 1583 O . HOH S 393 ? -20.31384 -3.35098 -25.44043 1.000 53.31110 O ? D ? . O 1
   HETATM 1592 O . HOH S 402 ? -16.61439 -25.62936 -10.23388 0.604 32.84210 O ? D ? . O 1
   HETATM 1596 O . HOH S 406 ? -9.76530 -5.67021 5.62065 0.960 54.07302 O ? D ? . O 1
   HETATM 1597 O . HOH S 407 ? -8.91002 -10.42570 1.54820 1.000 59.92169 O ? D ? . O 1
   HETATM 1606 O . HOH S 416 ? 12.19657 -18.12517 7.04949 0.953 51.06753 O ? D ? . O 1
   HETATM 1609 O . HOH S 419 ? -23.46982 -13.44345 -20.82905 0.986 50.35276 O ? D ? . O 1
   HETATM 1617 O . HOH S 427 ? -3.60138 -16.99642 -20.30521 1.000 48.97115 O ? D ? . O 1
   HETATM 1618 O . HOH S 428 ? -7.30274 -25.75910 -11.47913 0.571 31.25948 O ? D ? . O 1
   HETATM 1620 O . HOH S 430 ? -10.13614 5.09359 -2.14725 0.961 50.68996 O ? D ? . O 1
   HETATM 1625 O . HOH S 435 ? -3.58727 -21.56867 -15.37226 0.755 44.84384 O ? D ? . O 1
   HETATM 1629 O . HOH S 439 ? -3.98368 -20.72155 -20.72732 0.915 48.60287 O ? D ? . O 1
   HETATM 1638 O . HOH S 448 ? -30.45714 -5.69065 -3.71574 0.667 38.27527 O ? D ? . O 1
   HETATM 1656 O . HOH S 449 ? -10.69406 -12.98677 -1.08285 0.942 32.49652 O ? E ? . O 1
   HETATM 1657 O . HOH S 450 ? -4.41063 -12.38160 -16.52103 0.645 29.73978 O ? E ? . O 1
   HETATM 1658 O . HOH S 451 ? -11.57964 -4.26099 4.37990 0.997 66.48633 O ? E ? . O 1
   HETATM 1659 O . HOH S 452 ? -21.31178 -29.91016 -16.77508 0.868 40.60260 O ? E ? . O 1
   HETATM 1660 O . HOH S 453 ? -12.24340 -2.14462 5.71507 1.000 57.98072 O ? E ? . O 1
   HETATM 1662 O . HOH S 455 ? -5.87116 -23.29344 -4.08274 0.531 33.79150 O ? E ? . O 1
   HETATM 1666 O . HOH S 459 ? -18.72915 -21.34257 -1.15659 1.000 52.49997 O ? E ? . O 1
   HETATM 1667 O . HOH S 460 ? -18.91366 -1.80168 -23.50205 0.711 45.30141 O ? E ? . O 1
   HETATM 1673 O . HOH S 466 ? -22.13241 -21.91365 -16.58438 0.976 43.14546 O ? E ? . O 1
   HETATM 1680 O . HOH S 473 ? -7.53451 -6.06362 -21.02804 0.704 30.85749 O ? E ? . O 1
   HETATM 1722 O . HOH S 508 ? -16.17404 -20.81884 -1.77050 0.728 33.42331 O ? F ? . O 1
   HETATM 1737 O . HOH S 523 ? -24.01648 1.71665 1.63305 0.825 49.39985 O ? F ? . O 1
   HETATM 1739 O . HOH S 525 ? -5.30594 -5.88472 -9.04524 0.702 41.05362 O ? F ? . O 1
   HETATM 1741 O . HOH S 527 ? -4.04205 -21.00229 -2.81984 0.535 36.79519 O ? F ? . O 1
   HETATM 1754 O . HOH S 540 ? -22.58991 -19.74949 -18.15404 0.673 36.81643 O ? F ? . O 1
   HETATM 1765 O . HOH S 551 ? -27.45397 -7.43627 -16.53143 0.733 49.35850 O ? F ? . O 1
   HETATM 1766 O . HOH S 552 ? -5.24191 -18.80347 -12.49084 0.483 31.84478 O ? F ? . O 1
   HETATM 1773 O . HOH S 559 ? 3.83308 -24.63789 -3.27401 0.673 50.73031 O ? F ? . O 1
   HETATM 1774 O . HOH S 560 ? -11.44094 2.40639 0.50007 0.740 56.03575 O ? F ? . O 1
   HETATM 1789 O . HOH S 564 ? 9.05925 -9.88704 6.25026 0.644 41.26849 O ? G ? . O 1
   HETATM 1792 O . HOH S 567 ? -30.05956 -20.25854 -3.02476 0.868 47.18006 O ? G ? . O 1
   HETATM 1799 O . HOH S 574 ? -12.56693 4.92162 -1.45641 0.700 48.74783 O ? G ? . O 1
   HETATM 1803 O . HOH S 578 ? -6.43542 -20.22041 -23.13698 0.712 39.81953 O ? G ? . O 1
   HETATM 1820 O . HOH S 595 ? -10.34776 1.53048 -27.07439 0.513 36.62423 O ? G ? . O 1
   HETATM 1836 O . HOH S 611 ? -4.39445 -21.76071 -12.54009 0.821 46.66403 O ? G ? . O 1
   HETATM 1839 O . HOH S 614 ? -22.42648 -26.76220 -13.74316 0.652 39.29228 O ? G ? . O 1
   HETATM 1851 O . HOH S 626 ? -20.54679 -27.98132 -10.33262 0.592 38.75575 O ? G ? . O 1
   HETATM 1864 O . HOH S 635 ? -28.58760 -14.44442 1.16191 0.636 48.62635 O ? H ? . O 1
   HETATM 1873 O . HOH S 644 ? -32.77406 -2.04419 -1.59139 0.594 34.45274 O ? H ? . O 1
   HETATM 1883 O . HOH S 654 ? -1.90006 -14.95896 -21.13589 0.676 44.76922 O ? H ? . O 1
   HETATM 1902 O . HOH S 673 ? -16.87749 -6.09983 -27.95387 0.529 40.66917 O ? H ? . O 1
   HETATM 1909 O . HOH S 680 ? -3.64019 -7.94236 -9.04209 0.661 53.54472 O ? H ? . O 1
   HETATM 1911 O . HOH S 682 ? 16.08970 -11.36640 2.43909 0.681 43.85549 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 .

