data_2fke_qFit
_cell.length_a                    58.154
_cell.length_b                    58.154
_cell.length_c                    55.445
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      187508.759
_space_group.crystal_system       tetragonal
_space_group.IT_number            94
_space_group.name_H-M_alt         'P 42 21 2'
_space_group.name_Hall            ' P 4n 2n'
_symmetry.space_group_name_H-M    'P 42 21 2'
_symmetry.space_group_name_Hall   ' P 4n 2n'
_symmetry.Int_Tables_number       94
_reflns.B_iso_Wilson_estimate     12.76
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              7.99
_refine.ls_d_res_high             1.72
_refine.pdbx_ls_sigma_F           61.00
_refine.ls_percent_reflns_obs     97.34
_refine.ls_number_reflns_obs      10178
_refine.ls_number_reflns_R_work   9156
_refine.ls_number_reflns_R_free   1022
_refine.ls_R_factor_obs           0.1422
_refine.ls_R_factor_R_work        0.1382
_refine.ls_R_factor_R_free        0.1777
_refine.ls_percent_reflns_R_free  10.04
_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             0.1508
_refine.pdbx_overall_phase_error  15.4770
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                16.85
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 -y+1/2,x+1/2,z+1/2
   3 y+1/2,-x+1/2,z+1/2
   4 x+1/2,-y+1/2,-z+1/2
   5 -x+1/2,y+1/2,-z+1/2
   6 -x,-y,z
   7 y,x,-z
   8 -y,-x,-z

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

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

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

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

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 1012 0.0251 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1384 1.9572 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 146 0.1128 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 181 0.0176 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 462 26.3573 ? ?

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' 3.23 7.99 1406 0.1321 98.42 0.1679 155
   'X-RAY DIFFRACTION' 2.59 3.23 1358 0.1451 99.54 0.1743 155
   'X-RAY DIFFRACTION' 2.27 2.59 1349 0.1252 99.80 0.1611 147
   'X-RAY DIFFRACTION' 2.07 2.27 1299 0.1216 98.70 0.1898 141
   'X-RAY DIFFRACTION' 1.92 2.07 1289 0.1335 97.76 0.1743 153
   'X-RAY DIFFRACTION' 1.81 1.92 1269 0.1511 96.17 0.1947 138
   'X-RAY DIFFRACTION' 1.72 1.81 1186 0.1976 90.72 0.2345 133

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.
;
 .
   H . . 0.51345 0.48472 . . 24.73122 6.32584 . . 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.
;
 .
   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
   FK5
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PHE
   PRO
   SER
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . GLY A 1 ? 9.46243 40.99489 6.44429 1.000 15.50478 N ? A ? 1 N 1
   ATOM 2 CA . GLY A 1 ? 9.98394 40.48104 7.72944 1.000 16.01721 C ? A ? 1 CA 1
   ATOM 3 C . GLY A 1 ? 9.61761 39.00408 7.80165 1.000 13.78890 C ? A ? 1 C 1
   ATOM 4 O . GLY A 1 ? 9.66293 38.27037 6.82935 1.000 11.92184 O ? A ? 1 O 1
   ATOM 5 H1 . GLY A 1 ? 8.79525 41.56279 6.60068 1.000 18.60910 H ? A ? 1 H1 1
   ATOM 6 H2 . GLY A 1 ? 10.11352 41.41533 6.00678 1.000 18.60910 H ? A ? 1 H2 1
   ATOM 7 H3 . GLY A 1 ? 9.16474 40.31573 5.95213 1.000 18.60910 H ? A ? 1 H3 1
   ATOM 8 HA2 . GLY A 1 ? 10.94767 40.58269 7.77186 1.000 19.22401 H ? A ? 1 HA2 1
   ATOM 9 HA3 . GLY A 1 ? 9.58324 40.95547 8.47459 1.000 19.22401 H ? A ? 1 HA3 1
   ATOM 10 N . VAL A 2 ? 9.18977 38.57561 8.97739 1.000 11.17039 N ? A ? 2 N 1
   ATOM 11 CA . VAL A 2 ? 8.85743 37.17241 9.21755 1.000 7.60723 C ? A ? 2 CA 1
   ATOM 12 C . VAL A 2 ? 7.56409 37.08497 10.01000 1.000 12.59658 C ? A ? 2 C 1
   ATOM 13 O . VAL A 2 ? 7.33930 37.82841 10.96523 1.000 14.20635 O ? A ? 2 O 1
   ATOM 14 CB . VAL A 2 ? 10.04277 36.46182 9.93158 1.000 11.36775 C ? A ? 2 CB 1
   ATOM 15 CG1 . VAL A 2 ? 10.32132 37.02335 11.29165 1.000 14.59458 C ? A ? 2 CG1 1
   ATOM 16 CG2 . VAL A 2 ? 9.77489 34.99627 10.09553 1.000 13.01289 C ? A ? 2 CG2 1
   ATOM 17 H . VAL A 2 ? 9.08076 39.08190 9.66397 1.000 13.40783 H ? A ? 2 H 1
   ATOM 18 HA . VAL A 2 ? 8.68422 36.71816 8.37818 1.000 9.13204 H ? A ? 2 HA 1
   ATOM 19 HB . VAL A 2 ? 10.81702 36.60744 9.36568 1.000 13.64467 H ? A ? 2 HB 1
   ATOM 20 HG11 . VAL A 2 ? 11.12171 36.60664 11.64750 1.000 17.51686 H ? A ? 2 HG11 1
   ATOM 21 HG12 . VAL A 2 ? 10.45253 37.98152 11.21691 1.000 17.51686 H ? A ? 2 HG12 1
   ATOM 22 HG13 . VAL A 2 ? 9.56593 36.83712 11.87097 1.000 17.51686 H ? A ? 2 HG13 1
   ATOM 23 HG21 . VAL A 2 ? 10.59431 34.55391 10.36713 1.000 15.61883 H ? A ? 2 HG21 1
   ATOM 24 HG22 . VAL A 2 ? 9.09243 34.87394 10.77390 1.000 15.61883 H ? A ? 2 HG22 1
   ATOM 25 HG23 . VAL A 2 ? 9.46860 34.63461 9.24920 1.000 15.61883 H ? A ? 2 HG23 1
   ATOM 26 N . GLN A 3 ? 6.73503 36.15810 9.64258 1.000 8.76330 N ? A ? 3 N 1
   ATOM 27 CA . GLN A 3 ? 5.50063 35.86384 10.36038 1.000 12.85170 C ? A ? 3 CA 1
   ATOM 28 C . GLN A 3 ? 5.56338 34.46309 10.92749 1.000 10.68975 C ? A ? 3 C 1
   ATOM 29 O . GLN A 3 ? 5.97184 33.54243 10.23164 1.000 11.18707 O ? A ? 3 O 1
   ATOM 30 CB . GLN A 3 ? 4.31752 35.86888 9.44540 1.000 15.54859 C ? A ? 3 CB 1
   ATOM 31 CG . GLN A 3 ? 4.30157 36.97905 8.44866 1.000 32.79392 C ? A ? 3 CG 1
   ATOM 32 CD . GLN A 3 ? 3.44078 38.10862 8.82561 1.000 59.44360 C ? A ? 3 CD 1
   ATOM 33 OE1 . GLN A 3 ? 3.06141 38.26617 9.99049 1.000 69.86010 O ? A ? 3 OE1 1
   ATOM 34 NE2 . GLN A 3 ? 3.09532 38.92562 7.82884 1.000 71.35363 N ? A ? 3 NE2 1
   ATOM 35 H . GLN A 3 ? 6.85594 35.65660 8.95448 1.000 10.51932 H ? A ? 3 H 1
   ATOM 36 HA . GLN A 3 ? 5.39821 36.52872 11.05920 1.000 15.42540 H ? A ? 3 HA 1
   ATOM 37 HB2 . GLN A 3 ? 4.30655 35.03380 8.95202 1.000 18.66167 H ? A ? 3 HB2 1
   ATOM 38 HB3 . GLN A 3 ? 3.51357 35.94752 9.98241 1.000 18.66167 H ? A ? 3 HB3 1
   ATOM 39 HG2 . GLN A 3 ? 5.20453 37.31819 8.34600 1.000 39.35607 H ? A ? 3 HG2 1
   ATOM 40 HG3 . GLN A 3 ? 3.97904 36.63259 7.60199 1.000 39.35607 H ? A ? 3 HG3 1
   ATOM 41 HE21 . GLN A 3 ? 3.37541 38.77214 7.03034 1.000 85.62772 H ? A ? 3 HE21 1
   ATOM 42 HE22 . GLN A 3 ? 2.59256 39.60568 7.98488 1.000 85.62772 H ? A ? 3 HE22 1
   ATOM 43 N . VAL A 4 ? 5.16338 34.27856 12.19516 1.000 11.64065 N ? A ? 4 N 1
   ATOM 44 CA . VAL A 4 ? 5.34370 32.99942 12.89726 1.000 10.67024 C ? A ? 4 CA 1
   ATOM 45 C . VAL A 4 ? 3.95011 32.52160 13.20014 1.000 16.17182 C ? A ? 4 C 1
   ATOM 46 O . VAL A 4 ? 3.17008 33.27823 13.80180 1.000 18.44160 O ? A ? 4 O 1
   ATOM 47 CB . VAL A 4 ? 6.15934 33.14269 14.18757 1.000 15.39421 C ? A ? 4 CB 1
   ATOM 48 CG1 . VAL A 4 ? 6.21884 31.79197 14.86409 1.000 16.24278 C ? A ? 4 CG1 1
   ATOM 49 CG2 . VAL A 4 ? 7.48559 33.74616 13.89339 1.000 17.43887 C ? A ? 4 CG2 1
   ATOM 50 H . VAL A 4 ? 4.78241 34.88498 12.67130 1.000 13.97215 H ? A ? 4 H 1
   ATOM 51 HA . VAL A 4 ? 5.81212 32.36386 12.33374 1.000 12.80766 H ? A ? 4 HA 1
   ATOM 52 HB . VAL A 4 ? 5.74333 33.75372 14.81564 1.000 18.47642 H ? A ? 4 HB 1
   ATOM 53 HG11 . VAL A 4 ? 6.74675 31.86756 15.67433 1.000 19.49470 H ? A ? 4 HG11 1
   ATOM 54 HG12 . VAL A 4 ? 5.31732 31.50791 15.08198 1.000 19.49470 H ? A ? 4 HG12 1
   ATOM 55 HG13 . VAL A 4 ? 6.62973 31.15398 14.25990 1.000 19.49470 H ? A ? 4 HG13 1
   ATOM 56 HG21 . VAL A 4 ? 8.06508 33.62509 14.66178 1.000 20.93001 H ? A ? 4 HG21 1
   ATOM 57 HG22 . VAL A 4 ? 7.86788 33.30596 13.11816 1.000 20.93001 H ? A ? 4 HG22 1
   ATOM 58 HG23 . VAL A 4 ? 7.36908 34.69203 13.71272 1.000 20.93001 H ? A ? 4 HG23 1
   ATOM 59 N . GLU A 5 ? 3.57900 31.37046 12.66281 1.000 9.71698 N ? A ? 5 N 1
   ATOM 60 CA . GLU A 5 ? 2.31004 30.71815 12.95460 1.000 7.56431 C ? A ? 5 CA 1
   ATOM 61 C . GLU A 5 ? 2.58152 29.40667 13.65877 1.000 13.12134 C ? A ? 5 C 1
   ATOM 62 O . GLU A 5 ? 3.25141 28.52159 13.09531 1.000 14.07022 O ? A ? 5 O 1
   ATOM 63 CB . GLU A 5 ? 1.48558 30.51250 11.65247 1.000 12.55714 C ? A ? 5 CB 1
   ATOM 64 CG . GLU A 5 ? 1.10469 31.88578 11.11283 1.000 16.80276 C ? A ? 5 CG 1
   ATOM 65 CD . GLU A 5 ? 0.67475 32.01772 9.66136 1.000 26.27648 C ? A ? 5 CD 1
   ATOM 66 OE1 . GLU A 5 ? 1.10248 31.25758 8.79709 1.000 25.47696 O ? A ? 5 OE1 1
   ATOM 67 OE2 . GLU A 5 ? -0.29574 32.77817 9.45078 1.000 34.79550 O ? A ? 5 OE2 1
   ATOM 68 H . GLU A 5 ? 4.06298 30.93011 12.10473 1.000 11.66373 H ? A ? 5 H 1
   ATOM 69 HA . GLU A 5 ? 1.77722 31.26399 13.55382 1.000 9.08053 H ? A ? 5 HA 1
   ATOM 70 HB2 . GLU A 5 ? 2.01867 30.04514 10.99044 1.000 15.07194 H ? A ? 5 HB2 1
   ATOM 71 HB3 . GLU A 5 ? 0.67894 30.00911 11.84439 1.000 15.07194 H ? A ? 5 HB3 1
   ATOM 72 HG2 . GLU A 5 ? 0.36416 32.21331 11.64691 1.000 20.16667 H ? A ? 5 HG2 1
   ATOM 73 HG3 . GLU A 5 ? 1.87466 32.46546 11.22241 1.000 20.16667 H ? A ? 5 HG3 1
   ATOM 74 N . THR A 6 ? 1.90728 29.20789 14.77929 1.000 7.41764 N ? A ? 6 N 1
   ATOM 75 CA . THR A 6 ? 2.21324 28.04654 15.60319 1.000 5.44811 C ? A ? 6 CA 1
   ATOM 76 C . THR A 6 ? 1.36273 26.86067 15.16142 1.000 9.96129 C ? A ? 6 C 1
   ATOM 77 O . THR A 6 ? 0.12893 26.94219 15.16426 1.000 9.48560 O ? A ? 6 O 1
   ATOM 78 CB . THR A 6 ? 1.98318 28.39113 17.06578 1.000 9.36777 C ? A ? 6 CB 1
   ATOM 79 OG1 . THR A 6 ? 2.93461 29.42986 17.42161 1.000 10.84337 O ? A ? 6 OG1 1
   ATOM 80 CG2 . THR A 6 ? 2.23392 27.17674 17.97636 1.000 11.59804 C ? A ? 6 CG2 1
   ATOM 81 H . THR A 6 ? 1.28271 29.71791 15.07828 1.000 8.90454 H ? A ? 6 H 1
   ATOM 82 HA . THR A 6 ? 3.14097 27.78396 15.49704 1.000 6.54110 H ? A ? 6 HA 1
   ATOM 83 HB . THR A 6 ? 1.06597 28.67764 17.19827 1.000 11.24468 H ? A ? 6 HB 1
   ATOM 84 HG1 . THR A 6 ? 3.44464 29.58675 16.77288 1.000 13.01541 H ? A ? 6 HG1 1
   ATOM 85 HG21 . THR A 6 ? 2.45214 27.47419 18.87346 1.000 13.92101 H ? A ? 6 HG21 1
   ATOM 86 HG22 . THR A 6 ? 1.44017 26.62043 18.01352 1.000 13.92101 H ? A ? 6 HG22 1
   ATOM 87 HG23 . THR A 6 ? 2.97165 26.64996 17.63118 1.000 13.92101 H ? A ? 6 HG23 1
   ATOM 88 N . ILE A 7 ? 2.01158 25.72352 15.01193 1.000 6.76640 N ? A ? 7 N 1
   ATOM 89 CA . ILE A 7 ? 1.35332 24.43048 14.75103 1.000 6.23266 C ? A ? 7 CA 1
   ATOM 90 C . ILE A 7 ? 1.18578 23.65719 16.03900 1.000 8.68120 C ? A ? 7 C 1
   ATOM 91 O . ILE A 7 ? 0.13412 23.09617 16.32144 1.000 12.33277 O ? A ? 7 O 1
   ATOM 92 CB . ILE A 7 ? 2.18615 23.64405 13.72865 1.000 11.06282 C ? A ? 7 CB 1
   ATOM 93 CG1 . ILE A 7 ? 2.28533 24.36550 12.41125 1.000 16.79225 C ? A ? 7 CG1 1
   ATOM 94 CG2 . ILE A 7 ? 1.67814 22.23746 13.53007 1.000 17.99329 C ? A ? 7 CG2 1
   ATOM 95 CD1 . ILE A 7 ? 3.52079 23.92958 11.60281 1.000 18.15993 C ? A ? 7 CD1 1
   ATOM 96 H . ILE A 7 ? 2.86782 25.65674 15.05644 1.000 8.12304 H ? A ? 7 H 1
   ATOM 97 HA . ILE A 7 ? 0.47212 24.58062 14.37440 1.000 7.48255 H ? A ? 7 HA 1
   ATOM 98 HB . ILE A 7 ? 3.07803 23.58173 14.10489 1.000 13.27875 H ? A ? 7 HB 1
   ATOM 99 HG12 . ILE A 7 ? 1.49461 24.17370 11.88317 1.000 20.15407 H ? A ? 7 HG12 1
   ATOM 100 HG13 . ILE A 7 ? 2.35157 25.31928 12.57504 1.000 20.15407 H ? A ? 7 HG13 1
   ATOM 101 HG21 . ILE A 7 ? 2.12900 21.84366 12.76683 1.000 21.59532 H ? A ? 7 HG21 1
   ATOM 102 HG22 . ILE A 7 ? 1.86458 21.71873 14.32823 1.000 21.59532 H ? A ? 7 HG22 1
   ATOM 103 HG23 . ILE A 7 ? 0.72181 22.26667 13.37045 1.000 21.59532 H ? A ? 7 HG23 1
   ATOM 104 HD11 . ILE A 7 ? 3.55411 24.43871 10.77784 1.000 21.79528 H ? A ? 7 HD11 1
   ATOM 105 HD12 . ILE A 7 ? 4.31813 24.09907 12.12855 1.000 21.79528 H ? A ? 7 HD12 1
   ATOM 106 HD13 . ILE A 7 ? 3.45042 22.98267 11.40451 1.000 21.79528 H ? A ? 7 HD13 1
   ATOM 107 N . SER A 8 ? 2.21557 23.62293 16.85849 1.000 8.63223 N ? A ? 8 N 1
   ATOM 108 CA . SER A 8 ? 2.15587 22.99818 18.16645 1.000 9.26289 C ? A ? 8 CA 1
   ATOM 109 C . SER A 8 ? 2.90131 23.84358 19.18234 1.000 8.73080 C ? A ? 8 C 1
   ATOM 110 O . SER A 8 ? 4.00882 24.28608 18.87743 1.000 8.52394 O ? A ? 8 O 1
   ATOM 111 CB . SER A 8 ? 2.74678 21.58273 18.01130 1.000 12.83370 C ? A ? 8 CB 1
   ATOM 112 OG . SER A 8 ? 2.21239 20.84489 19.08314 1.000 28.80248 O ? A ? 8 OG 1
   ATOM 113 H . SER A 8 ? 2.98362 23.96423 16.67626 1.000 10.36204 H ? A ? 8 H 1
   ATOM 114 HA . SER A 8 ? 1.25526 22.94500 18.52280 1.000 11.11884 H ? A ? 8 HA 1
   ATOM 115 HB2 . SER A 8 ? 2.47667 21.19398 17.16465 1.000 15.40380 H ? A ? 8 HB2 1
   ATOM 116 HB3 . SER A 8 ? 3.71461 21.61162 18.06935 1.000 15.40380 H ? A ? 8 HB3 1
   ATOM 117 HG . SER A 8 ? 1.43419 21.11038 19.25497 1.000 34.56634 H ? A ? 8 HG 1
   ATOM 118 N . PRO A 9 ? 2.37976 24.04377 20.38748 1.000 6.38949 N ? A ? 9 N 1
   ATOM 119 CA . PRO A 9 ? 3.00729 25.00801 21.30323 1.000 6.64927 C ? A ? 9 CA 1
   ATOM 120 C . PRO A 9 ? 4.28738 24.48859 21.92640 1.000 9.48145 C ? A ? 9 C 1
   ATOM 121 O . PRO A 9 ? 4.49507 23.28280 22.05585 1.000 11.66493 O ? A ? 9 O 1
   ATOM 122 CB . PRO A 9 ? 1.92067 25.26851 22.36907 1.000 12.09761 C ? A ? 9 CB 1
   ATOM 123 CG . PRO A 9 ? 0.97573 24.14193 22.19254 1.000 10.86140 C ? A ? 9 CG 1
   ATOM 124 CD . PRO A 9 ? 1.02706 23.64322 20.82221 1.000 10.81448 C ? A ? 9 CD 1
   ATOM 125 HA . PRO A 9 ? 3.20371 25.83067 20.82829 1.000 7.98249 H ? A ? 9 HA 1
   ATOM 126 HB2 . PRO A 9 ? 2.31316 25.26240 23.25609 1.000 14.52049 H ? A ? 9 HB2 1
   ATOM 127 HB3 . PRO A 9 ? 1.48691 26.12028 22.20406 1.000 14.52049 H ? A ? 9 HB3 1
   ATOM 128 HG2 . PRO A 9 ? 1.22281 23.43340 22.80722 1.000 13.03704 H ? A ? 9 HG2 1
   ATOM 129 HG3 . PRO A 9 ? 0.08021 24.45684 22.39196 1.000 13.03704 H ? A ? 9 HG3 1
   ATOM 130 HD2 . PRO A 9 ? 0.92481 22.67892 20.79840 1.000 12.98074 H ? A ? 9 HD2 1
   ATOM 131 HD3 . PRO A 9 ? 0.34626 24.06268 20.27314 1.000 12.98074 H ? A ? 9 HD3 1
   ATOM 132 N . GLY A 10 ? 5.20543 25.42259 22.22588 1.000 9.25744 N ? A ? 10 N 1
   ATOM 133 CA . GLY A 10 ? 6.39178 25.14088 23.00039 1.000 9.01254 C ? A ? 10 CA 1
   ATOM 134 C . GLY A 10 ? 6.13582 25.23477 24.51208 1.000 11.58698 C ? A ? 10 C 1
   ATOM 135 O . GLY A 10 ? 5.00183 25.25192 24.95017 1.000 14.36256 O ? A ? 10 O 1
   ATOM 136 H . GLY A 10 ? 5.14833 26.24419 21.97826 1.000 11.11229 H ? A ? 10 H 1
   ATOM 137 HA2 . GLY A 10 ? 6.70288 24.24479 22.79757 1.000 10.81842 H ? A ? 10 HA2 1
   ATOM 138 HA3 . GLY A 10 ? 7.08636 25.77661 22.76736 1.000 10.81842 H ? A ? 10 HA3 1
   ATOM 139 N . ASP A 11 ? 7.20639 25.30849 25.28313 1.000 7.12736 N ? A ? 11 N 1
   ATOM 140 CA . ASP A 11 ? 7.01503 25.36560 26.72570 1.000 7.21780 C ? A ? 11 CA 1
   ATOM 141 C . ASP A 11 ? 6.57010 26.70461 27.21700 1.000 10.54587 C ? A ? 11 C 1
   ATOM 142 O . ASP A 11 ? 6.25593 26.80998 28.40946 1.000 10.44100 O ? A ? 11 O 1
   ATOM 143 CB . ASP A 11 ? 8.25008 24.85071 27.44510 1.000 9.87112 C ? A ? 11 CB 1
   ATOM 144 CG . ASP A 11 ? 9.44744 25.73431 27.41467 1.000 14.57536 C ? A ? 11 CG 1
   ATOM 145 OD1 . ASP A 11 ? 9.42886 26.81026 26.84681 1.000 8.84674 O ? A ? 11 OD1 1
   ATOM 146 OD2 . ASP A 11 ? 10.45169 25.30536 28.05704 1.000 16.14520 O ? A ? 11 OD2 1
   ATOM 147 H . ASP A 11 ? 8.02146 25.32632 25.00939 1.000 8.55619 H ? A ? 11 H 1
   ATOM 148 HA . ASP A 11 ? 6.30195 24.75809 26.97740 1.000 8.66472 H ? A ? 11 HA 1
   ATOM 149 HB2 . ASP A 11 ? 8.02143 24.71309 28.37767 1.000 11.84870 H ? A ? 11 HB2 1
   ATOM 150 HB3 . ASP A 11 ? 8.50747 24.00834 27.03883 1.000 11.84870 H ? A ? 11 HB3 1
   ATOM 151 N . GLY A 12 ? 6.53513 27.69436 26.36730 1.000 7.75331 N ? A ? 12 N 1
   ATOM 152 CA . GLY A 12 ? 6.23422 29.05202 26.75267 1.000 10.65678 C ? A ? 12 CA 1
   ATOM 153 C . GLY A 12 ? 7.17482 29.70399 27.73650 1.000 11.14013 C ? A ? 12 C 1
   ATOM 154 O . GLY A 12 ? 6.77903 30.69922 28.39843 1.000 12.61593 O ? A ? 12 O 1
   ATOM 155 H . GLY A 12 ? 6.68747 27.60878 25.52523 1.000 9.30733 H ? A ? 12 H 1
   ATOM 156 HA2 . GLY A 12 ? 6.23007 29.60038 25.95256 1.000 12.79150 H ? A ? 12 HA2 1
   ATOM 157 HA3 . GLY A 12 ? 5.34912 29.06542 27.14931 1.000 12.79150 H ? A ? 12 HA3 1
   ATOM 158 N . ARG A 13 ? 8.35879 29.17022 27.89618 1.000 11.33522 N ? A ? 13 N 1
   ATOM 159 CA . ARG A 13 ? 9.24806 29.81479 28.84660 1.000 15.29503 C ? A ? 13 CA 1
   ATOM 160 C . ARG A 13 ? 10.70708 29.83102 28.41746 1.000 16.04292 C ? A ? 13 C 1
   ATOM 161 O . ARG A 13 ? 11.40587 30.75551 28.81841 1.000 14.31137 O ? A ? 13 O 1
   ATOM 162 CB . ARG A 13 ? 9.11154 29.17904 30.22755 1.000 23.09526 C ? A ? 13 CB 1
   ATOM 163 CG . ARG A 13 ? 9.47359 27.84514 30.34048 1.000 25.66745 C ? A ? 13 CG 1
   ATOM 164 CD . ARG A 13 ? 9.76497 27.52206 31.81520 1.000 46.50547 C ? A ? 13 CD 1
   ATOM 165 NE . ARG A 13 ? 10.54859 26.29323 31.90082 1.000 56.40212 N ? A ? 13 NE 1
   ATOM 166 CZ . ARG A 13 ? 11.42977 26.04475 32.86112 1.000 56.89150 C ? A ? 13 CZ 1
   ATOM 167 NH1 . ARG A 13 ? 11.67220 26.93245 33.81534 1.000 54.47357 N ? A ? 13 NH1 1
   ATOM 168 NH2 . ARG A 13 ? 12.08024 24.87523 32.86708 1.000 59.17688 N ? A ? 13 NH2 1
   ATOM 169 H . ARG A 13 ? 8.66106 28.47387 27.49204 1.000 13.60563 H ? A ? 13 H 1
   ATOM 170 HA . ARG A 13 ? 8.98141 30.74215 28.94562 1.000 18.35740 H ? A ? 13 HA 1
   ATOM 171 HB2 . ARG A 13 ? 9.67099 29.67730 30.84372 1.000 27.71767 H ? A ? 13 HB2 1
   ATOM 172 HB3 . ARG A 13 ? 8.18196 29.24378 30.49695 1.000 27.71767 H ? A ? 13 HB3 1
   ATOM 173 HG2 . ARG A 13 ? 8.74855 27.27934 30.03212 1.000 30.80430 H ? A ? 13 HG2 1
   ATOM 174 HG3 . ARG A 13 ? 10.27268 27.67486 29.81764 1.000 30.80430 H ? A ? 13 HG3 1
   ATOM 175 HD2 . ARG A 13 ? 10.27201 28.24540 32.21594 1.000 55.80992 H ? A ? 13 HD2 1
   ATOM 176 HD3 . ARG A 13 ? 8.93128 27.39590 32.29473 1.000 55.80992 H ? A ? 13 HD3 1
   ATOM 177 HE . ARG A 13 ? 10.43226 25.69561 31.29343 1.000 67.68591 H ? A ? 13 HE 1
   ATOM 178 HH11 . ARG A 13 ? 11.25524 27.68460 33.81893 1.000 65.37165 H ? A ? 13 HH11 1
   ATOM 179 HH12 . ARG A 13 ? 12.24644 26.75618 34.43079 1.000 65.37165 H ? A ? 13 HH12 1
   ATOM 180 HH21 . ARG A 13 ? 11.92525 24.29386 32.25261 1.000 71.01562 H ? A ? 13 HH21 1
   ATOM 181 HH22 . ARG A 13 ? 12.65324 24.70504 33.48539 1.000 71.01562 H ? A ? 13 HH22 1
   ATOM 182 N . THR A 14 ? 11.18917 28.89383 27.59526 1.000 9.51498 N ? A ? 14 N 1
   ATOM 183 CA . THR A 14 ? 12.58335 28.78315 27.18609 1.000 10.27081 C ? A ? 14 CA 1
   ATOM 184 C . THR A 14 ? 12.70999 29.27268 25.74867 1.000 12.22882 C ? A ? 14 C 1
   ATOM 185 O . THR A 14 ? 12.42050 28.53281 24.80935 1.000 10.78723 O ? A ? 14 O 1
   ATOM 186 CB . THR A 14 ? 13.07629 27.34313 27.31462 1.000 9.52453 C ? A ? 14 CB 1
   ATOM 187 OG1 . THR A 14 ? 12.62964 26.86266 28.58452 1.000 15.03438 O ? A ? 14 OG1 1
   ATOM 188 CG2 . THR A 14 ? 14.54753 27.31846 27.30897 1.000 15.57445 C ? A ? 14 CG2 1
   ATOM 189 H . THR A 14 ? 10.69791 28.28066 27.24557 1.000 11.42134 H ? A ? 14 H 1
   ATOM 190 HA . THR A 14 ? 13.12035 29.35438 27.75726 1.000 12.32833 H ? A ? 14 HA 1
   ATOM 191 HB . THR A 14 ? 12.74937 26.79267 26.58591 1.000 11.43280 H ? A ? 14 HB 1
   ATOM 192 HG1 . THR A 14 ? 12.65597 26.02321 28.59954 1.000 18.04462 H ? A ? 14 HG1 1
   ATOM 193 HG21 . THR A 14 ? 14.86419 26.40308 27.36087 1.000 18.69270 H ? A ? 14 HG21 1
   ATOM 194 HG22 . THR A 14 ? 14.88297 27.72182 26.49308 1.000 18.69270 H ? A ? 14 HG22 1
   ATOM 195 HG23 . THR A 14 ? 14.89056 27.81381 28.06914 1.000 18.69270 H ? A ? 14 HG23 1
   ATOM 196 N A PHE A 15 ? 13.09009 30.50728 25.59370 0.396 12.13498 N ? A ? 15 N 1
   ATOM 197 CA A PHE A 15 ? 13.31706 31.11779 24.31051 0.396 12.43111 C ? A ? 15 CA 1
   ATOM 198 C A PHE A 15 ? 14.81335 31.25176 24.05424 0.396 15.56140 C ? A ? 15 C 1
   ATOM 199 O A PHE A 15 ? 15.59040 31.48437 24.98487 0.396 14.34333 O ? A ? 15 O 1
   ATOM 200 CB A PHE A 15 ? 12.64136 32.49038 24.25055 0.396 13.07868 C ? A ? 15 CB 1
   ATOM 201 CG A PHE A 15 ? 11.13639 32.41003 24.25524 0.396 12.70956 C ? A ? 15 CG 1
   ATOM 202 CD1 A PHE A 15 ? 10.43180 32.25053 25.44149 0.396 12.56026 C ? A ? 15 CD1 1
   ATOM 203 CD2 A PHE A 15 ? 10.41479 32.51466 23.08118 0.396 10.81205 C ? A ? 15 CD2 1
   ATOM 204 CE1 A PHE A 15 ? 9.08067 32.18155 25.43951 0.396 11.57176 C ? A ? 15 CE1 1
   ATOM 205 CE2 A PHE A 15 ? 9.01850 32.46398 23.08089 0.396 11.10384 C ? A ? 15 CE2 1
   ATOM 206 CZ A PHE A 15 ? 8.35384 32.28271 24.23943 0.396 13.06985 C ? A ? 15 CZ 1
   ATOM 207 H A PHE A 15 ? 13.23241 31.04551 26.24918 0.396 14.56534 H ? A ? 15 H 1
   ATOM 208 HA A PHE A 15 ? 12.94324 30.57446 23.59921 0.396 14.92070 H ? A ? 15 HA 1
   ATOM 209 HB2 A PHE A 15 ? 12.91521 33.00953 25.02281 0.396 15.69778 H ? A ? 15 HB2 1
   ATOM 210 HB3 A PHE A 15 ? 12.91399 32.93957 23.43519 0.396 15.69778 H ? A ? 15 HB3 1
   ATOM 211 HD1 A PHE A 15 ? 10.89403 32.19046 26.24625 0.396 15.07568 H ? A ? 15 HD1 1
   ATOM 212 HD2 A PHE A 15 ? 10.86739 32.62086 22.27571 0.396 12.97782 H ? A ? 15 HD2 1
   ATOM 213 HE1 A PHE A 15 ? 8.62618 32.06566 26.24257 0.396 13.88947 H ? A ? 15 HE1 1
   ATOM 214 HE2 A PHE A 15 ? 8.54888 32.55507 22.28335 0.396 13.32797 H ? A ? 15 HE2 1
   ATOM 215 HZ A PHE A 15 ? 7.42563 32.22521 24.24529 0.396 15.68718 H ? A ? 15 HZ 1
   ATOM 216 N B PHE A 15 ? 13.09999 30.50932 25.59577 0.604 12.11626 N ? A ? 15 N 1
   ATOM 217 CA B PHE A 15 ? 13.31980 31.15457 24.32871 0.604 12.40979 C ? A ? 15 CA 1
   ATOM 218 C B PHE A 15 ? 14.80918 31.30678 24.06406 0.604 15.61541 C ? A ? 15 C 1
   ATOM 219 O B PHE A 15 ? 15.57372 31.63522 24.97876 0.604 14.30010 O ? A ? 15 O 1
   ATOM 220 CB B PHE A 15 ? 12.65316 32.53318 24.29129 0.604 13.08265 C ? A ? 15 CB 1
   ATOM 221 CG B PHE A 15 ? 11.16831 32.46334 24.45423 0.604 12.77561 C ? A ? 15 CG 1
   ATOM 222 CD1 B PHE A 15 ? 10.60186 32.45487 25.71836 0.604 12.75821 C ? A ? 15 CD1 1
   ATOM 223 CD2 B PHE A 15 ? 10.31565 32.42872 23.34728 0.604 10.59209 C ? A ? 15 CD2 1
   ATOM 224 CE1 B PHE A 15 ? 9.26090 32.36143 25.88181 0.604 11.14526 C ? A ? 15 CE1 1
   ATOM 225 CE2 B PHE A 15 ? 8.94961 32.38936 23.50143 0.604 10.73526 C ? A ? 15 CE2 1
   ATOM 226 CZ B PHE A 15 ? 8.40711 32.32752 24.77663 0.604 13.88099 C ? A ? 15 CZ 1
   ATOM 227 H B PHE A 15 ? 13.25617 31.03624 26.25726 0.604 14.54287 H ? A ? 15 H 1
   ATOM 228 HA B PHE A 15 ? 12.93455 30.61700 23.61913 0.604 14.89512 H ? A ? 15 HA 1
   ATOM 229 HB2 B PHE A 15 ? 13.00906 33.07551 25.01248 0.604 15.70254 H ? A ? 15 HB2 1
   ATOM 230 HB3 B PHE A 15 ? 12.84198 32.95195 23.43697 0.604 15.70254 H ? A ? 15 HB3 1
   ATOM 231 HD1 B PHE A 15 ? 11.15113 32.51427 26.46647 0.604 15.31322 H ? A ? 15 HD1 1
   ATOM 232 HD2 B PHE A 15 ? 10.67861 32.43236 22.49104 0.604 12.71388 H ? A ? 15 HD2 1
   ATOM 233 HE1 B PHE A 15 ? 8.90423 32.31935 26.73967 0.604 13.37767 H ? A ? 15 HE1 1
   ATOM 234 HE2 B PHE A 15 ? 8.39356 32.40409 22.75612 0.604 12.88568 H ? A ? 15 HE2 1
   ATOM 235 HZ B PHE A 15 ? 7.48676 32.26430 24.89431 0.604 16.66056 H ? A ? 15 HZ 1
   ATOM 236 N A PRO A 16 ? 15.25016 31.12664 22.80411 0.396 11.89382 N ? A ? 16 N 1
   ATOM 237 CA A PRO A 16 ? 16.69475 31.15978 22.53018 0.396 13.91127 C ? A ? 16 CA 1
   ATOM 238 C A PRO A 16 ? 17.29573 32.53857 22.74795 0.396 16.41299 C ? A ? 16 C 1
   ATOM 239 O A PRO A 16 ? 16.65375 33.57793 22.54432 0.396 17.52079 O ? A ? 16 O 1
   ATOM 240 CB A PRO A 16 ? 16.79203 30.73830 21.06122 0.396 15.49763 C ? A ? 16 CB 1
   ATOM 241 CG A PRO A 16 ? 15.51617 31.20007 20.48634 0.396 14.01330 C ? A ? 16 CG 1
   ATOM 242 CD A PRO A 16 ? 14.45552 31.00016 21.57435 0.396 11.98071 C ? A ? 16 CD 1
   ATOM 243 HA A PRO A 16 ? 17.15712 30.51738 23.09093 0.396 16.69688 H ? A ? 16 HA 1
   ATOM 244 HB2 A PRO A 16 ? 17.54807 31.17255 20.63610 0.396 18.60053 H ? A ? 16 HB2 1
   ATOM 245 HB3 A PRO A 16 ? 16.88139 29.77484 20.99299 0.396 18.60053 H ? A ? 16 HB3 1
   ATOM 246 HG2 A PRO A 16 ? 15.58771 32.13734 20.24694 0.396 16.81932 H ? A ? 16 HG2 1
   ATOM 247 HG3 A PRO A 16 ? 15.30357 30.67229 19.70075 0.396 16.81932 H ? A ? 16 HG3 1
   ATOM 248 HD2 A PRO A 16 ? 13.77201 31.68680 21.52716 0.396 14.38021 H ? A ? 16 HD2 1
   ATOM 249 HD3 A PRO A 16 ? 14.04866 30.12201 21.50933 0.396 14.38021 H ? A ? 16 HD3 1
   ATOM 250 N B PRO A 16 ? 15.23179 31.15286 22.81273 0.604 11.83814 N ? A ? 16 N 1
   ATOM 251 CA B PRO A 16 ? 16.66847 31.21226 22.50453 0.604 13.86791 C ? A ? 16 CA 1
   ATOM 252 C B PRO A 16 ? 17.27456 32.57354 22.81986 0.604 16.41546 C ? A ? 16 C 1
   ATOM 253 O B PRO A 16 ? 16.60784 33.62421 22.79845 0.604 17.42115 O ? A ? 16 O 1
   ATOM 254 CB B PRO A 16 ? 16.71300 30.89087 21.00818 0.604 15.48035 C ? A ? 16 CB 1
   ATOM 255 CG B PRO A 16 ? 15.41846 30.13398 20.81379 0.604 11.01488 C ? A ? 16 CG 1
   ATOM 256 CD B PRO A 16 ? 14.42927 30.81897 21.63396 0.604 11.89733 C ? A ? 16 CD 1
   ATOM 257 HA B PRO A 16 ? 17.15504 30.53648 23.00198 0.604 16.64485 H ? A ? 16 HA 1
   ATOM 258 HB2 B PRO A 16 ? 16.73381 31.70616 20.48305 0.604 18.57978 H ? A ? 16 HB2 1
   ATOM 259 HB3 B PRO A 16 ? 17.48438 30.34141 20.79851 0.604 18.57978 H ? A ? 16 HB3 1
   ATOM 260 HG2 B PRO A 16 ? 15.16379 30.15654 19.87809 0.604 13.22121 H ? A ? 16 HG2 1
   ATOM 261 HG3 B PRO A 16 ? 15.52969 29.21554 21.10530 0.604 13.22121 H ? A ? 16 HG3 1
   ATOM 262 HD2 B PRO A 16 ? 14.09577 31.61688 21.19462 0.604 14.28016 H ? A ? 16 HD2 1
   ATOM 263 HD3 B PRO A 16 ? 13.69092 30.23278 21.86230 0.604 14.28016 H ? A ? 16 HD3 1
   ATOM 264 N . LYS A 17 ? 18.52361 32.52038 23.24734 1.000 18.45754 N ? A ? 17 N 1
   ATOM 265 CA . LYS A 17 ? 19.30964 33.71226 23.52024 1.000 23.21470 C ? A ? 17 CA 1
   ATOM 266 C . LYS A 17 ? 20.53519 33.69914 22.62630 1.000 25.09157 C ? A ? 17 C 1
   ATOM 267 O . LYS A 17 ? 21.02643 32.62646 22.24810 1.000 21.85589 O ? A ? 17 O 1
   ATOM 268 CB . LYS A 17 ? 19.75248 33.70103 24.96275 1.000 25.85841 C ? A ? 17 CB 1
   ATOM 269 CG . LYS A 17 ? 18.61445 33.85660 25.97825 1.000 38.99019 C ? A ? 17 CG 1
   ATOM 270 CD . LYS A 17 ? 19.16180 33.61857 27.37582 1.000 47.35207 C ? A ? 17 CD 1
   ATOM 271 CE . LYS A 17 ? 18.03761 33.55872 28.40856 1.000 60.09354 C ? A ? 17 CE 1
   ATOM 272 NZ . LYS A 17 ? 18.60339 33.29135 29.79374 1.000 79.90674 N ? A ? 17 NZ 1
   ATOM 273 HA . LYS A 17 ? 18.79904 34.51791 23.34385 1.000 27.86100 H ? A ? 17 HA 1
   ATOM 274 HB2 . LYS A 17 ? 20.19343 32.85627 25.14398 1.000 31.03345 H ? A ? 17 HB2 1
   ATOM 275 HB3 . LYS A 17 ? 20.37144 34.43486 25.10162 1.000 31.03345 H ? A ? 17 HB3 1
   ATOM 276 HG2 . LYS A 17 ? 18.24967 34.75417 25.93122 1.000 46.79159 H ? A ? 17 HG2 1
   ATOM 277 HG3 . LYS A 17 ? 17.91841 33.20571 25.79723 1.000 46.79159 H ? A ? 17 HG3 1
   ATOM 278 HD2 . LYS A 17 ? 19.64006 32.77489 27.39514 1.000 56.82585 H ? A ? 17 HD2 1
   ATOM 279 HD3 . LYS A 17 ? 19.75919 34.34414 27.61576 1.000 56.82585 H ? A ? 17 HD3 1
   ATOM 280 HE2 . LYS A 17 ? 17.56582 34.40610 28.42517 1.000 72.11561 H ? A ? 17 HE2 1
   ATOM 281 HE3 . LYS A 17 ? 17.42471 32.84218 28.18094 1.000 72.11561 H ? A ? 17 HE3 1
   ATOM 282 HZ1 . LYS A 17 ? 17.94467 33.26440 30.39162 1.000 95.89146 H ? A ? 17 HZ1 1
   ATOM 283 HZ2 . LYS A 17 ? 19.03291 32.51190 29.80187 1.000 95.89146 H ? A ? 17 HZ2 1
   ATOM 284 HZ3 . LYS A 17 ? 19.17253 33.93712 30.01994 1.000 95.89146 H ? A ? 17 HZ3 1
   ATOM 285 H A LYS A 17 ? 18.94145 31.79523 23.44524 0.396 22.15241 H ? A ? 17 H 1
   ATOM 286 H B LYS A 17 ? 18.94965 31.78725 23.39089 0.604 22.15241 H ? A ? 17 H 1
   ATOM 287 N . ARG A 18 ? 21.05178 34.90064 22.31278 1.000 26.88393 N ? A ? 18 N 1
   ATOM 288 CA . ARG A 18 ? 22.30985 34.97647 21.56623 1.000 29.54175 C ? A ? 18 CA 1
   ATOM 289 C . ARG A 18 ? 23.31279 34.09340 22.25847 1.000 27.11359 C ? A ? 18 C 1
   ATOM 290 O . ARG A 18 ? 23.32859 34.01789 23.47992 1.000 27.95540 O ? A ? 18 O 1
   ATOM 291 CB . ARG A 18 ? 22.83160 36.41054 21.48463 1.000 35.61860 C ? A ? 18 CB 1
   ATOM 292 CG . ARG A 18 ? 21.75159 37.32278 21.00872 1.000 44.92120 C ? A ? 18 CG 1
   ATOM 293 CD . ARG A 18 ? 22.16350 38.19059 19.80043 1.000 58.56826 C ? A ? 18 CD 1
   ATOM 294 NE . ARG A 18 ? 21.09796 39.12022 19.40113 1.000 75.59430 N ? A ? 18 NE 1
   ATOM 295 CZ . ARG A 18 ? 20.21372 38.92650 18.41570 1.000 79.09952 C ? A ? 18 CZ 1
   ATOM 296 NH1 . ARG A 18 ? 20.24602 37.83651 17.63682 1.000 64.71932 N ? A ? 18 NH1 1
   ATOM 297 NH2 . ARG A 18 ? 19.26558 39.84852 18.20407 1.000 83.32541 N ? A ? 18 NH2 1
   ATOM 298 H . ARG A 18 ? 20.70127 35.65918 22.51615 1.000 32.26408 H ? A ? 18 H 1
   ATOM 299 HA . ARG A 18 ? 22.17428 34.68588 20.65076 1.000 35.45346 H ? A ? 18 HA 1
   ATOM 300 HB2 . ARG A 18 ? 23.12121 36.70237 22.36319 1.000 42.74568 H ? A ? 18 HB2 1
   ATOM 301 HB3 . ARG A 18 ? 23.57260 36.45261 20.86010 1.000 42.74568 H ? A ? 18 HB3 1
   ATOM 302 HG2 . ARG A 18 ? 20.98589 36.78987 20.74300 1.000 53.90881 H ? A ? 18 HG2 1
   ATOM 303 HG3 . ARG A 18 ? 21.50500 37.92036 21.73190 1.000 53.90881 H ? A ? 18 HG3 1
   ATOM 304 HD2 . ARG A 18 ? 22.94785 38.71125 20.03410 1.000 70.28527 H ? A ? 18 HD2 1
   ATOM 305 HD3 . ARG A 18 ? 22.36082 37.61391 19.04584 1.000 70.28527 H ? A ? 18 HD3 1
   ATOM 306 HE . ARG A 18 ? 21.03701 39.85656 19.84124 1.000 90.71653 H ? A ? 18 HE 1
   ATOM 307 HH11 . ARG A 18 ? 20.84793 37.23540 17.76318 1.000 77.66655 H ? A ? 18 HH11 1
   ATOM 308 HH12 . ARG A 18 ? 19.66483 37.73811 17.01061 1.000 77.66655 H ? A ? 18 HH12 1
   ATOM 309 HH21 . ARG A 18 ? 19.23179 40.55176 18.69795 1.000 99.99385 H ? A ? 18 HH21 1
   ATOM 310 HH22 . ARG A 18 ? 18.69057 39.73731 17.57431 1.000 99.99385 H ? A ? 18 HH22 1
   ATOM 311 N . GLY A 19 ? 24.08506 33.32522 21.48197 1.000 32.83672 N ? A ? 19 N 1
   ATOM 312 CA . GLY A 19 ? 25.10842 32.48901 22.07191 1.000 29.18958 C ? A ? 19 CA 1
   ATOM 313 C . GLY A 19 ? 24.68466 31.09149 22.46305 1.000 35.03435 C ? A ? 19 C 1
   ATOM 314 O . GLY A 19 ? 25.53579 30.27233 22.83984 1.000 42.45064 O ? A ? 19 O 1
   ATOM 315 H . GLY A 19 ? 24.02842 33.27899 20.62508 1.000 39.40743 H ? A ? 19 H 1
   ATOM 316 HA2 . GLY A 19 ? 25.83685 32.40420 21.43701 1.000 35.03086 H ? A ? 19 HA2 1
   ATOM 317 HA3 . GLY A 19 ? 25.43674 32.92730 22.87254 1.000 35.03086 H ? A ? 19 HA3 1
   ATOM 318 N . GLN A 20 ? 23.40791 30.78308 22.40175 1.000 30.23574 N ? A ? 20 N 1
   ATOM 319 CA . GLN A 20 ? 22.98035 29.41364 22.53633 1.000 25.55827 C ? A ? 20 CA 1
   ATOM 320 C . GLN A 20 ? 22.95342 28.74385 21.16902 1.000 18.41792 C ? A ? 20 C 1
   ATOM 321 O . GLN A 20 ? 22.68931 29.37405 20.15516 1.000 23.72611 O ? A ? 20 O 1
   ATOM 322 CB . GLN A 20 ? 21.58996 29.38532 23.15153 1.000 23.52212 C ? A ? 20 CB 1
   ATOM 323 CG . GLN A 20 ? 21.56257 29.86467 24.57135 1.000 31.76472 C ? A ? 20 CG 1
   ATOM 324 CD . GLN A 20 ? 20.17514 29.74855 25.18893 1.000 26.63250 C ? A ? 20 CD 1
   ATOM 325 OE1 . GLN A 20 ? 19.25687 30.22477 24.61066 1.000 23.83694 O ? A ? 20 OE1 1
   ATOM 326 NE2 . GLN A 20 ? 20.03589 29.09451 26.34300 1.000 34.28509 N ? A ? 20 NE2 1
   ATOM 327 H . GLN A 20 ? 22.77179 31.34953 22.28300 1.000 36.28626 H ? A ? 20 H 1
   ATOM 328 HA . GLN A 20 ? 23.58919 28.91717 23.10531 1.000 30.67329 H ? A ? 20 HA 1
   ATOM 329 HB2 . GLN A 20 ? 21.00492 29.95836 22.63167 1.000 28.22991 H ? A ? 20 HB2 1
   ATOM 330 HB3 . GLN A 20 ? 21.25913 28.47359 23.13786 1.000 28.22991 H ? A ? 20 HB3 1
   ATOM 331 HG2 . GLN A 20 ? 22.17499 29.32964 25.10010 1.000 38.12103 H ? A ? 20 HG2 1
   ATOM 332 HG3 . GLN A 20 ? 21.82867 30.79708 24.59800 1.000 38.12103 H ? A ? 20 HG3 1
   ATOM 333 HE21 . GLN A 20 ? 20.72303 28.74689 26.72588 1.000 41.14547 H ? A ? 20 HE21 1
   ATOM 334 HE22 . GLN A 20 ? 19.25896 29.02042 26.70424 1.000 41.14547 H ? A ? 20 HE22 1
   ATOM 335 N . THR A 21 ? 23.18140 27.45773 21.15354 1.000 20.12819 N ? A ? 21 N 1
   ATOM 336 CA . THR A 21 ? 22.94736 26.67456 19.94308 1.000 18.50598 C ? A ? 21 CA 1
   ATOM 337 C . THR A 21 ? 21.50749 26.18988 19.90619 1.000 16.15878 C ? A ? 21 C 1
   ATOM 338 O . THR A 21 ? 21.06778 25.47929 20.81120 1.000 15.62347 O ? A ? 21 O 1
   ATOM 339 CB . THR A 21 ? 23.90438 25.49365 19.90957 1.000 21.36780 C ? A ? 21 CB 1
   ATOM 340 OG1 . THR A 21 ? 25.25998 25.99255 19.90108 1.000 27.89238 O ? A ? 21 OG1 1
   ATOM 341 CG2 . THR A 21 ? 23.64151 24.63385 18.68140 1.000 23.21979 C ? A ? 21 CG2 1
   ATOM 342 H . THR A 21 ? 23.47168 27.00443 21.82425 1.000 24.15720 H ? A ? 21 H 1
   ATOM 343 HA . THR A 21 ? 23.09184 27.23164 19.16225 1.000 22.21054 H ? A ? 21 HA 1
   ATOM 344 HB . THR A 21 ? 23.77864 24.93095 20.68960 1.000 25.64473 H ? A ? 21 HB 1
   ATOM 345 HG1 . THR A 21 ? 25.80224 25.35106 19.90698 1.000 33.47422 H ? A ? 21 HG1 1
   ATOM 346 HG21 . THR A 21 ? 24.37046 24.00688 18.55314 1.000 27.86711 H ? A ? 21 HG21 1
   ATOM 347 HG22 . THR A 21 ? 22.81572 24.13765 18.79436 1.000 27.86711 H ? A ? 21 HG22 1
   ATOM 348 HG23 . THR A 21 ? 23.56647 25.19479 17.89361 1.000 27.86711 H ? A ? 21 HG23 1
   ATOM 349 N . CYS A 22 ? 20.81151 26.46075 18.80650 1.000 10.54679 N ? A ? 22 N 1
   ATOM 350 CA . CYS A 22 ? 19.47806 25.98350 18.59796 1.000 9.12962 C ? A ? 22 CA 1
   ATOM 351 C . CYS A 22 ? 19.54355 24.71455 17.80102 1.000 9.17669 C ? A ? 22 C 1
   ATOM 352 O . CYS A 22 ? 20.21128 24.68099 16.79234 1.000 13.94377 O ? A ? 22 O 1
   ATOM 353 CB . CYS A 22 ? 18.64902 26.96356 17.78626 1.000 10.98686 C ? A ? 22 CB 1
   ATOM 354 SG . CYS A 22 ? 18.54075 28.58057 18.58810 1.000 18.36747 S ? A ? 22 SG 1
   ATOM 355 H . CYS A 22 ? 21.11116 26.93475 18.15448 1.000 12.65951 H ? A ? 22 H 1
   ATOM 356 HA . CYS A 22 ? 19.06452 25.84832 19.46492 1.000 10.95890 H ? A ? 22 HA 1
   ATOM 357 HB2 . CYS A 22 ? 19.05868 27.08285 16.91515 1.000 13.18760 H ? A ? 22 HB2 1
   ATOM 358 HB3 . CYS A 22 ? 17.75008 26.61349 17.68499 1.000 13.18760 H ? A ? 22 HB3 1
   ATOM 359 HG . CYS A 22 ? 17.73714 29.25340 18.00371 1.000 22.04433 H ? A ? 22 HG 1
   ATOM 360 N A VAL A 23 ? 18.79324 23.70451 18.20907 0.819 8.85053 N ? A ? 23 N 1
   ATOM 361 CA A VAL A 23 ? 18.73463 22.44724 17.46560 0.819 10.77348 C ? A ? 23 CA 1
   ATOM 362 C A VAL A 23 ? 17.32929 22.31522 16.92283 0.819 10.90183 C ? A ? 23 C 1
   ATOM 363 O A VAL A 23 ? 16.37723 22.28513 17.70022 0.819 9.89975 O ? A ? 23 O 1
   ATOM 364 CB A VAL A 23 ? 19.06026 21.24429 18.34694 0.819 13.22747 C ? A ? 23 CB 1
   ATOM 365 CG1 A VAL A 23 ? 19.07375 20.04723 17.56860 0.819 14.03575 C ? A ? 23 CG1 1
   ATOM 366 CG2 A VAL A 23 ? 20.39467 21.54154 19.10444 0.819 14.64329 C ? A ? 23 CG2 1
   ATOM 367 H A VAL A 23 ? 18.30506 23.71961 18.91692 0.819 10.62400 H ? A ? 23 H 1
   ATOM 368 HA A VAL A 23 ? 19.37200 22.48058 16.73515 0.819 12.93154 H ? A ? 23 HA 1
   ATOM 369 HB A VAL A 23 ? 18.37942 21.09169 19.02078 0.819 15.87632 H ? A ? 23 HB 1
   ATOM 370 HG11 A VAL A 23 ? 19.40962 19.31927 18.11464 0.819 16.84626 H ? A ? 23 HG11 1
   ATOM 371 HG12 A VAL A 23 ? 18.17021 19.85107 17.27527 0.819 16.84626 H ? A ? 23 HG12 1
   ATOM 372 HG13 A VAL A 23 ? 19.65036 20.17711 16.79948 0.819 16.84626 H ? A ? 23 HG13 1
   ATOM 373 HG21 A VAL A 23 ? 20.69329 20.73204 19.54765 0.819 17.57532 H ? A ? 23 HG21 1
   ATOM 374 HG22 A VAL A 23 ? 21.06257 21.83402 18.46469 0.819 17.57532 H ? A ? 23 HG22 1
   ATOM 375 HG23 A VAL A 23 ? 20.23703 22.23875 19.76014 0.819 17.57532 H ? A ? 23 HG23 1
   ATOM 376 N B VAL A 23 ? 18.80465 23.69762 18.21914 0.181 9.21869 N ? A ? 23 N 1
   ATOM 377 CA B VAL A 23 ? 18.72618 22.43954 17.48431 0.181 10.79032 C ? A ? 23 CA 1
   ATOM 378 C B VAL A 23 ? 17.31885 22.33867 16.92923 0.181 10.91361 C ? A ? 23 C 1
   ATOM 379 O B VAL A 23 ? 16.35057 22.40544 17.69075 0.181 9.94100 O ? A ? 23 O 1
   ATOM 380 CB B VAL A 23 ? 19.04637 21.23886 18.38019 0.181 13.28845 C ? A ? 23 CB 1
   ATOM 381 CG1 B VAL A 23 ? 19.01339 19.97225 17.59080 0.181 14.05103 C ? A ? 23 CG1 1
   ATOM 382 CG2 B VAL A 23 ? 20.39844 21.46090 19.06937 0.181 14.73144 C ? A ? 23 CG2 1
   ATOM 383 H B VAL A 23 ? 18.33148 23.71095 18.93714 0.181 11.06579 H ? A ? 23 H 1
   ATOM 384 HA B VAL A 23 ? 19.36029 22.44664 16.75031 0.181 12.95175 H ? A ? 23 HA 1
   ATOM 385 HB B VAL A 23 ? 18.37339 21.15026 19.07311 0.181 15.94950 H ? A ? 23 HB 1
   ATOM 386 HG11 B VAL A 23 ? 19.35292 19.24868 18.14040 0.181 16.86460 H ? A ? 23 HG11 1
   ATOM 387 HG12 B VAL A 23 ? 18.09796 19.78715 17.32883 0.181 16.86460 H ? A ? 23 HG12 1
   ATOM 388 HG13 B VAL A 23 ? 19.56836 20.07709 16.80218 0.181 16.86460 H ? A ? 23 HG13 1
   ATOM 389 HG21 B VAL A 23 ? 20.69970 20.62178 19.45149 0.181 17.68110 H ? A ? 23 HG21 1
   ATOM 390 HG22 B VAL A 23 ? 21.03985 21.77455 18.41277 0.181 17.68110 H ? A ? 23 HG22 1
   ATOM 391 HG23 B VAL A 23 ? 20.29095 22.12354 19.76956 0.181 17.68110 H ? A ? 23 HG23 1
   ATOM 392 N . VAL A 24 ? 17.20629 22.17119 15.61434 1.000 10.40926 N ? A ? 24 N 1
   ATOM 393 CA . VAL A 24 ? 15.92786 22.21067 14.91589 1.000 8.68543 C ? A ? 24 CA 1
   ATOM 394 C . VAL A 24 ? 15.82590 21.09194 13.90506 1.000 9.92283 C ? A ? 24 C 1
   ATOM 395 O . VAL A 24 ? 16.81552 20.60008 13.35711 1.000 11.20556 O ? A ? 24 O 1
   ATOM 396 CB . VAL A 24 ? 15.67148 23.57468 14.19781 1.000 11.17141 C ? A ? 24 CB 1
   ATOM 397 CG1 . VAL A 24 ? 15.79731 24.73849 15.20943 1.000 8.75252 C ? A ? 24 CG1 1
   ATOM 398 CG2 . VAL A 24 ? 16.55341 23.78857 13.10092 1.000 14.68715 C ? A ? 24 CG2 1
   ATOM 399 HA . VAL A 24 ? 15.23919 22.06461 15.58319 1.000 10.42588 H ? A ? 24 HA 1
   ATOM 400 HB . VAL A 24 ? 14.77102 23.55011 13.83801 1.000 13.40906 H ? A ? 24 HB 1
   ATOM 401 HG11 . VAL A 24 ? 15.60927 25.57421 14.75434 1.000 10.50639 H ? A ? 24 HG11 1
   ATOM 402 HG12 . VAL A 24 ? 15.16014 24.60253 15.92806 1.000 10.50639 H ? A ? 24 HG12 1
   ATOM 403 HG13 . VAL A 24 ? 16.69955 24.75138 15.56535 1.000 10.50639 H ? A ? 24 HG13 1
   ATOM 404 HG21 . VAL A 24 ? 16.49684 24.71726 12.82666 1.000 17.62794 H ? A ? 24 HG21 1
   ATOM 405 HG22 . VAL A 24 ? 17.45915 23.58028 13.37868 1.000 17.62794 H ? A ? 24 HG22 1
   ATOM 406 HG23 . VAL A 24 ? 16.29116 23.21049 12.36747 1.000 17.62794 H ? A ? 24 HG23 1
   ATOM 407 H A VAL A 24 ? 17.87331 22.04433 15.08651 0.819 12.49448 H ? A ? 24 H 1
   ATOM 408 H B VAL A 24 ? 17.87508 22.02954 15.09256 0.181 12.49448 H ? A ? 24 H 1
   ATOM 409 N . HIS A 25 ? 14.59076 20.75710 13.57508 1.000 8.01576 N ? A ? 25 N 1
   ATOM 410 CA . HIS A 25 ? 14.25894 20.13410 12.31858 1.000 7.77059 C ? A ? 25 CA 1
   ATOM 411 C . HIS A 25 ? 13.49309 21.14532 11.44901 1.000 10.72930 C ? A ? 25 C 1
   ATOM 412 O . HIS A 25 ? 12.68500 21.88780 11.94787 1.000 10.09039 O ? A ? 25 O 1
   ATOM 413 CB . HIS A 25 ? 13.41536 18.87147 12.51705 1.000 9.32318 C ? A ? 25 CB 1
   ATOM 414 CG . HIS A 25 ? 14.23255 17.61889 12.59798 1.000 15.08274 C ? A ? 25 CG 1
   ATOM 415 ND1 . HIS A 25 ? 15.14735 17.25606 11.63045 1.000 13.61421 N ? A ? 25 ND1 1
   ATOM 416 CD2 . HIS A 25 ? 14.29647 16.67786 13.56304 1.000 18.40843 C ? A ? 25 CD2 1
   ATOM 417 CE1 . HIS A 25 ? 15.72240 16.11993 12.00209 1.000 19.77260 C ? A ? 25 CE1 1
   ATOM 418 NE2 . HIS A 25 ? 15.22677 15.75328 13.16646 1.000 21.88775 N ? A ? 25 NE2 1
   ATOM 419 H . HIS A 25 ? 13.90901 20.88721 14.08292 1.000 9.62228 H ? A ? 25 H 1
   ATOM 420 HA . HIS A 25 ? 15.07185 19.87019 11.85985 1.000 9.32807 H ? A ? 25 HA 1
   ATOM 421 HB2 . HIS A 25 ? 12.91562 18.95507 13.34419 1.000 11.19118 H ? A ? 25 HB2 1
   ATOM 422 HB3 . HIS A 25 ? 12.80515 18.78119 11.76845 1.000 11.19118 H ? A ? 25 HB3 1
   ATOM 423 HD2 . HIS A 25 ? 13.80158 16.66015 14.35023 1.000 22.09348 H ? A ? 25 HD2 1
   ATOM 424 HE1 . HIS A 25 ? 16.36947 15.65785 11.51971 1.000 23.73048 H ? A ? 25 HE1 1
   ATOM 425 HE2 . HIS A 25 ? 15.45059 15.04869 13.60585 1.000 26.26866 H ? A ? 25 HE2 1
   ATOM 426 N . TYR A 26 ? 13.71278 21.13857 10.14335 1.000 6.77245 N ? A ? 26 N 1
   ATOM 427 CA . TYR A 26 ? 12.99896 22.05104 9.26590 1.000 6.84545 C ? A ? 26 CA 1
   ATOM 428 C . TYR A 26 ? 12.69058 21.39783 7.96435 1.000 10.41815 C ? A ? 26 C 1
   ATOM 429 O . TYR A 26 ? 13.38472 20.47371 7.57170 1.000 6.60338 O ? A ? 26 O 1
   ATOM 430 CB . TYR A 26 ? 13.88405 23.27687 9.01323 1.000 7.68110 C ? A ? 26 CB 1
   ATOM 431 CG . TYR A 26 ? 15.06165 23.08780 8.04411 1.000 6.43113 C ? A ? 26 CG 1
   ATOM 432 CD1 . TYR A 26 ? 16.22726 22.71104 8.54193 1.000 8.92778 C ? A ? 26 CD1 1
   ATOM 433 CD2 . TYR A 26 ? 14.96827 23.27546 6.65101 1.000 7.50760 C ? A ? 26 CD2 1
   ATOM 434 CE1 . TYR A 26 ? 17.31922 22.60135 7.81626 1.000 9.84647 C ? A ? 26 CE1 1
   ATOM 435 CE2 . TYR A 26 ? 16.07616 23.11978 5.87908 1.000 6.07194 C ? A ? 26 CE2 1
   ATOM 436 CZ . TYR A 26 ? 17.24916 22.76123 6.43466 1.000 9.74684 C ? A ? 26 CZ 1
   ATOM 437 OH . TYR A 26 ? 18.35133 22.50226 5.63225 1.000 10.14608 O ? A ? 26 OH 1
   ATOM 438 H . TYR A 26 ? 14.26787 20.61718 9.74383 1.000 8.13031 H ? A ? 26 H 1
   ATOM 439 HA . TYR A 26 ? 12.15018 22.30366 9.66169 1.000 8.21791 H ? A ? 26 HA 1
   ATOM 440 HB2 . TYR A 26 ? 13.32569 23.98067 8.64745 1.000 9.22068 H ? A ? 26 HB2 1
   ATOM 441 HB3 . TYR A 26 ? 14.25810 23.55798 9.86292 1.000 9.22068 H ? A ? 26 HB3 1
   ATOM 442 HD1 . TYR A 26 ? 16.27767 22.51394 9.44941 1.000 10.71670 H ? A ? 26 HD1 1
   ATOM 443 HD2 . TYR A 26 ? 14.15483 23.50411 6.26249 1.000 9.01248 H ? A ? 26 HD2 1
   ATOM 444 HE1 . TYR A 26 ? 18.13452 22.41779 8.22430 1.000 11.81913 H ? A ? 26 HE1 1
   ATOM 445 HE2 . TYR A 26 ? 16.02371 23.26179 4.96148 1.000 7.28970 H ? A ? 26 HE2 1
   ATOM 446 HH . TYR A 26 ? 18.45918 23.12750 5.08175 1.000 12.17866 H ? A ? 26 HH 1
   ATOM 447 N . THR A 27 ? 11.66613 21.94314 7.27731 1.000 7.27258 N ? A ? 27 N 1
   ATOM 448 CA . THR A 27 ? 11.30331 21.67220 5.92382 1.000 7.35210 C ? A ? 27 CA 1
   ATOM 449 C . THR A 27 ? 11.10141 23.03039 5.28720 1.000 5.98262 C ? A ? 27 C 1
   ATOM 450 O . THR A 27 ? 10.46064 23.91094 5.84848 1.000 7.94029 O ? A ? 27 O 1
   ATOM 451 CB . THR A 27 ? 10.07345 20.81516 5.77327 1.000 8.30536 C ? A ? 27 CB 1
   ATOM 452 OG1 . THR A 27 ? 10.39173 19.56191 6.41421 1.000 10.39740 O ? A ? 27 OG1 1
   ATOM 453 CG2 . THR A 27 ? 9.73644 20.62664 4.28139 1.000 11.30701 C ? A ? 27 CG2 1
   ATOM 454 H . THR A 27 ? 11.13515 22.52139 7.62843 1.000 8.73046 H ? A ? 27 H 1
   ATOM 455 HA . THR A 27 ? 12.00409 21.16997 5.47933 1.000 8.82588 H ? A ? 27 HA 1
   ATOM 456 HB . THR A 27 ? 9.28277 21.20868 6.17435 1.000 9.96980 H ? A ? 27 HB 1
   ATOM 457 HG1 . THR A 27 ? 9.68798 19.18861 6.68064 1.000 12.48024 H ? A ? 27 HG1 1
   ATOM 458 HG21 . THR A 27 ? 9.07708 19.92297 4.17657 1.000 13.57178 H ? A ? 27 HG21 1
   ATOM 459 HG22 . THR A 27 ? 9.37845 21.45055 3.91545 1.000 13.57178 H ? A ? 27 HG22 1
   ATOM 460 HG23 . THR A 27 ? 10.53615 20.38464 3.78863 1.000 13.57178 H ? A ? 27 HG23 1
   ATOM 461 N . GLY A 28 ? 11.77746 23.24146 4.18183 1.000 8.21897 N ? A ? 28 N 1
   ATOM 462 CA . GLY A 28 ? 11.74022 24.52606 3.42598 1.000 8.41558 C ? A ? 28 CA 1
   ATOM 463 C . GLY A 28 ? 10.88768 24.34054 2.17942 1.000 8.48343 C ? A ? 28 C 1
   ATOM 464 O . GLY A 28 ? 11.08545 23.38613 1.43236 1.000 8.75027 O ? A ? 28 O 1
   ATOM 465 H . GLY A 28 ? 12.28809 22.65256 3.81844 1.000 9.86613 H ? A ? 28 H 1
   ATOM 466 HA2 . GLY A 28 ? 11.35536 25.22682 3.97527 1.000 10.10206 H ? A ? 28 HA2 1
   ATOM 467 HA3 . GLY A 28 ? 12.63711 24.78672 3.16417 1.000 10.10206 H ? A ? 28 HA3 1
   ATOM 468 N . MET A 29 ? 9.99062 25.28588 1.93214 1.000 6.63638 N ? A ? 29 N 1
   ATOM 469 CA . MET A 29 ? 9.00627 25.15893 0.84782 1.000 9.02006 C ? A ? 29 CA 1
   ATOM 470 C . MET A 29 ? 8.81546 26.50215 0.22073 1.000 9.74035 C ? A ? 29 C 1
   ATOM 471 O . MET A 29 ? 9.02345 27.52712 0.84613 1.000 9.18742 O ? A ? 29 O 1
   ATOM 472 CB . MET A 29 ? 7.63237 24.70203 1.34032 1.000 12.15573 C ? A ? 29 CB 1
   ATOM 473 CG . MET A 29 ? 7.66362 23.33988 1.89409 1.000 16.34466 C ? A ? 29 CG 1
   ATOM 474 SD . MET A 29 ? 6.24782 23.10427 3.06514 1.000 21.92558 S ? A ? 29 SD 1
   ATOM 475 CE . MET A 29 ? 6.93438 24.03628 4.45093 1.000 21.78758 C ? A ? 29 CE 1
   ATOM 476 H . MET A 29 ? 9.92579 26.01839 2.37805 1.000 7.96702 H ? A ? 29 H 1
   ATOM 477 HA . MET A 29 ? 9.34532 24.50710 0.21453 1.000 10.82743 H ? A ? 29 HA 1
   ATOM 478 HB2 . MET A 29 ? 7.32809 25.30477 2.03676 1.000 14.59024 H ? A ? 29 HB2 1
   ATOM 479 HB3 . MET A 29 ? 7.00910 24.71219 0.59714 1.000 14.59024 H ? A ? 29 HB3 1
   ATOM 480 HG2 . MET A 29 ? 7.58553 22.69280 1.17570 1.000 19.61696 H ? A ? 29 HG2 1
   ATOM 481 HG3 . MET A 29 ? 8.49387 23.20171 2.37626 1.000 19.61696 H ? A ? 29 HG3 1
   ATOM 482 HE1 . MET A 29 ? 6.30020 24.02410 5.18480 1.000 26.14846 H ? A ? 29 HE1 1
   ATOM 483 HE2 . MET A 29 ? 7.76773 23.62372 4.72701 1.000 26.14846 H ? A ? 29 HE2 1
   ATOM 484 HE3 . MET A 29 ? 7.09544 24.95004 4.16807 1.000 26.14846 H ? A ? 29 HE3 1
   ATOM 485 N . LEU A 30 ? 8.42348 26.49839 -1.04185 1.000 9.12221 N ? A ? 30 N 1
   ATOM 486 CA . LEU A 30 ? 7.93185 27.71686 -1.62086 1.000 7.42805 C ? A ? 30 CA 1
   ATOM 487 C . LEU A 30 ? 6.50876 27.96681 -1.15550 1.000 10.97960 C ? A ? 30 C 1
   ATOM 488 O . LEU A 30 ? 5.89197 27.11948 -0.53401 1.000 9.60549 O ? A ? 30 O 1
   ATOM 489 CB . LEU A 30 ? 8.07869 27.59571 -3.13555 1.000 12.86018 C ? A ? 30 CB 1
   ATOM 490 CG . LEU A 30 ? 9.51935 27.49921 -3.56209 1.000 17.51199 C ? A ? 30 CG 1
   ATOM 491 CD1 . LEU A 30 ? 9.44431 27.40258 -5.17577 1.000 26.96480 C ? A ? 30 CD1 1
   ATOM 492 CD2 . LEU A 30 ? 10.29410 28.78196 -3.19450 1.000 18.88037 C ? A ? 30 CD2 1
   ATOM 493 H . LEU A 30 ? 8.43497 25.81610 -1.56526 1.000 10.95002 H ? A ? 30 H 1
   ATOM 494 HA . LEU A 30 ? 8.43271 28.49899 -1.34101 1.000 8.91703 H ? A ? 30 HA 1
   ATOM 495 HB2 . LEU A 30 ? 7.61931 26.79585 -3.43571 1.000 15.43558 H ? A ? 30 HB2 1
   ATOM 496 HB3 . LEU A 30 ? 7.68990 28.37891 -3.55548 1.000 15.43558 H ? A ? 30 HB3 1
   ATOM 497 HG . LEU A 30 ? 9.97478 26.75361 -3.14070 1.000 21.01776 H ? A ? 30 HG 1
   ATOM 498 HD11 . LEU A 30 ? 10.34583 27.37949 -5.53302 1.000 32.36113 H ? A ? 30 HD11 1
   ATOM 499 HD12 . LEU A 30 ? 8.97010 26.59300 -5.42195 1.000 32.36113 H ? A ? 30 HD12 1
   ATOM 500 HD13 . LEU A 30 ? 8.97306 28.17870 -5.51703 1.000 32.36113 H ? A ? 30 HD13 1
   ATOM 501 HD21 . LEU A 30 ? 11.12395 28.80440 -3.69624 1.000 22.65980 H ? A ? 30 HD21 1
   ATOM 502 HD22 . LEU A 30 ? 9.75116 29.55394 -3.41849 1.000 22.65980 H ? A ? 30 HD22 1
   ATOM 503 HD23 . LEU A 30 ? 10.48289 28.77516 -2.24308 1.000 22.65980 H ? A ? 30 HD23 1
   ATOM 504 N . GLU A 31 ? 5.96299 29.12129 -1.50680 1.000 10.24960 N ? A ? 31 N 1
   ATOM 505 CA . GLU A 31 ? 4.62249 29.46139 -1.03607 1.000 10.72697 C ? A ? 31 CA 1
   ATOM 506 C . GLU A 31 ? 3.51886 28.57063 -1.53755 1.000 14.85964 C ? A ? 31 C 1
   ATOM 507 O . GLU A 31 ? 2.45646 28.49735 -0.88976 1.000 17.76006 O ? A ? 31 O 1
   ATOM 508 CB . GLU A 31 ? 4.16301 30.86288 -1.41351 1.000 19.73683 C ? A ? 31 CB 1
   ATOM 509 CG . GLU A 31 ? 4.36958 31.83892 -0.44634 1.000 19.73265 C ? A ? 31 CG 1
   ATOM 510 CD . GLU A 31 ? 3.44567 31.73126 0.70962 1.000 25.03040 C ? A ? 31 CD 1
   ATOM 511 OE1 . GLU A 31 ? 2.24017 31.43649 0.55674 1.000 29.02572 O ? A ? 31 OE1 1
   ATOM 512 OE2 . GLU A 31 ? 3.89993 32.10508 1.81993 1.000 28.28236 O ? A ? 31 OE2 1
   ATOM 513 H . GLU A 31 ? 6.33584 29.71462 -2.00535 1.000 12.30289 H ? A ? 31 H 1
   ATOM 514 HA . GLU A 31 ? 4.73027 29.38653 -0.07499 1.000 12.87572 H ? A ? 31 HA 1
   ATOM 515 HB2 . GLU A 31 ? 4.64449 31.13809 -2.20933 1.000 23.68756 H ? A ? 31 HB2 1
   ATOM 516 HB3 . GLU A 31 ? 3.21069 30.83332 -1.59553 1.000 23.68756 H ? A ? 31 HB3 1
   ATOM 517 HG2 . GLU A 31 ? 5.27602 31.75988 -0.11015 1.000 23.68254 H ? A ? 31 HG2 1
   ATOM 518 HG3 . GLU A 31 ? 4.24016 32.71166 -0.84943 1.000 23.68254 H ? A ? 31 HG3 1
   ATOM 519 N . ASP A 32 ? 3.75370 27.81942 -2.56651 1.000 9.85004 N ? A ? 32 N 1
   ATOM 520 CA . ASP A 32 ? 2.77917 26.83524 -2.99240 1.000 12.78577 C ? A ? 32 CA 1
   ATOM 521 C . ASP A 32 ? 3.03030 25.44054 -2.43849 1.000 13.82069 C ? A ? 32 C 1
   ATOM 522 O . ASP A 32 ? 2.42395 24.48956 -2.94111 1.000 14.49409 O ? A ? 32 O 1
   ATOM 523 CB . ASP A 32 ? 2.75344 26.69710 -4.50520 1.000 13.73031 C ? A ? 32 CB 1
   ATOM 524 CG . ASP A 32 ? 4.12494 26.22279 -5.10510 1.000 17.38342 C ? A ? 32 CG 1
   ATOM 525 OD1 . ASP A 32 ? 5.18408 26.01626 -4.42548 1.000 16.91655 O ? A ? 32 OD1 1
   ATOM 526 OD2 . ASP A 32 ? 4.17895 26.06684 -6.35403 1.000 29.75525 O ? A ? 32 OD2 1
   ATOM 527 H . ASP A 32 ? 4.46834 27.85142 -3.04386 1.000 11.82341 H ? A ? 32 H 1
   ATOM 528 HA . ASP A 32 ? 1.92243 27.16427 -2.67834 1.000 15.34629 H ? A ? 32 HA 1
   ATOM 529 HB2 . ASP A 32 ? 2.07905 26.04431 -4.75007 1.000 16.47973 H ? A ? 32 HB2 1
   ATOM 530 HB3 . ASP A 32 ? 2.53880 27.55848 -4.89616 1.000 16.47973 H ? A ? 32 HB3 1
   ATOM 531 N . GLY A 33 ? 3.93432 25.30428 -1.45619 1.000 11.77634 N ? A ? 33 N 1
   ATOM 532 CA . GLY A 33 ? 4.23017 24.10653 -0.75259 1.000 9.93836 C ? A ? 33 CA 1
   ATOM 533 C . GLY A 33 ? 5.27609 23.26416 -1.36969 1.000 11.54145 C ? A ? 33 C 1
   ATOM 534 O . GLY A 33 ? 5.59463 22.22956 -0.82568 1.000 11.72235 O ? A ? 33 O 1
   ATOM 535 H . GLY A 33 ? 4.41485 25.95986 -1.17529 1.000 14.13498 H ? A ? 33 H 1
   ATOM 536 HA2 . GLY A 33 ? 4.52596 24.33708 0.14198 1.000 11.92940 H ? A ? 33 HA2 1
   ATOM 537 HA3 . GLY A 33 ? 3.42107 23.57511 -0.69054 1.000 11.92940 H ? A ? 33 HA3 1
   ATOM 538 N . LYS A 34 ? 5.78864 23.62695 -2.51319 1.000 10.36234 N ? A ? 34 N 1
   ATOM 539 CA . LYS A 34 ? 6.85133 22.78735 -3.07899 1.000 16.37777 C ? A ? 34 CA 1
   ATOM 540 C . LYS A 34 ? 8.07881 22.76361 -2.17352 1.000 13.05270 C ? A ? 34 C 1
   ATOM 541 O . LYS A 34 ? 8.73230 23.80216 -1.99344 1.000 12.19349 O ? A ? 34 O 1
   ATOM 542 CB . LYS A 34 ? 7.22906 23.29666 -4.44258 1.000 16.47733 C ? A ? 34 CB 1
   ATOM 543 CG . LYS A 34 ? 6.09093 22.84461 -5.44244 1.000 25.19895 C ? A ? 34 CG 1
   ATOM 544 CD . LYS A 34 ? 6.71297 22.68601 -6.88157 1.000 26.83264 C ? A ? 34 CD 1
   ATOM 545 CE . LYS A 34 ? 7.01167 24.03378 -7.51688 1.000 33.57116 C ? A ? 34 CE 1
   ATOM 546 NZ . LYS A 34 ? 8.17774 23.84036 -8.47815 1.000 41.58154 N ? A ? 34 NZ 1
   ATOM 547 H . LYS A 34 ? 5.56185 24.31771 -2.97255 1.000 12.43817 H ? A ? 34 H 1
   ATOM 548 HA . LYS A 34 ? 6.51923 21.87948 -3.15889 1.000 19.65668 H ? A ? 34 HA 1
   ATOM 549 HB2 . LYS A 34 ? 7.28803 24.26485 -4.43600 1.000 19.77616 H ? A ? 34 HB2 1
   ATOM 550 HB3 . LYS A 34 ? 8.07569 22.91461 -4.72213 1.000 19.77616 H ? A ? 34 HB3 1
   ATOM 551 HG2 . LYS A 34 ? 5.72224 21.99246 -5.16172 1.000 30.24211 H ? A ? 34 HG2 1
   ATOM 552 HG3 . LYS A 34 ? 5.39073 23.51520 -5.47281 1.000 30.24211 H ? A ? 34 HG3 1
   ATOM 553 HD2 . LYS A 34 ? 7.54354 22.18892 -6.81868 1.000 32.20253 H ? A ? 34 HD2 1
   ATOM 554 HD3 . LYS A 34 ? 6.08599 22.21370 -7.45141 1.000 32.20253 H ? A ? 34 HD3 1
   ATOM 555 HE2 . LYS A 34 ? 6.23874 24.35195 -8.00907 1.000 40.28876 H ? A ? 34 HE2 1
   ATOM 556 HE3 . LYS A 34 ? 7.25991 24.67857 -6.83606 1.000 40.28876 H ? A ? 34 HE3 1
   ATOM 557 HZ1 . LYS A 34 ? 8.40665 24.62064 -8.83991 1.000 49.90122 H ? A ? 34 HZ1 1
   ATOM 558 HZ2 . LYS A 34 ? 8.87887 23.50696 -8.04300 1.000 49.90122 H ? A ? 34 HZ2 1
   ATOM 559 HZ3 . LYS A 34 ? 7.94662 23.27756 -9.12771 1.000 49.90122 H ? A ? 34 HZ3 1
   ATOM 560 N . LYS A 35 ? 8.49270 21.56373 -1.79550 1.000 10.92118 N ? A ? 35 N 1
   ATOM 561 CA . LYS A 35 ? 9.64011 21.37105 -0.90181 1.000 10.29383 C ? A ? 35 CA 1
   ATOM 562 C . LYS A 35 ? 10.95673 21.46777 -1.65062 1.000 12.70368 C ? A ? 35 C 1
   ATOM 563 O . LYS A 35 ? 11.11133 20.95589 -2.76841 1.000 13.64646 O ? A ? 35 O 1
   ATOM 564 CB . LYS A 35 ? 9.48047 20.02890 -0.17776 1.000 11.69925 C ? A ? 35 CB 1
   ATOM 565 CG . LYS A 35 ? 10.70846 19.53284 0.64759 1.000 18.64645 C ? A ? 35 CG 1
   ATOM 566 CD . LYS A 35 ? 10.36820 18.29522 1.42167 1.000 32.70633 C ? A ? 35 CD 1
   ATOM 567 CE . LYS A 35 ? 10.28548 16.97950 0.70407 1.000 30.27713 C ? A ? 35 CE 1
   ATOM 568 NZ . LYS A 35 ? 10.54582 15.84325 1.74390 1.000 32.30525 N ? A ? 35 NZ 1
   ATOM 569 H . LYS A 35 ? 8.12386 20.82749 -2.04349 1.000 13.10878 H ? A ? 35 H 1
   ATOM 570 HA . LYS A 35 ? 9.67069 22.07871 -0.23910 1.000 12.35596 H ? A ? 35 HA 1
   ATOM 571 HB2 . LYS A 35 ? 8.73577 20.10615 0.43897 1.000 14.04247 H ? A ? 35 HB2 1
   ATOM 572 HB3 . LYS A 35 ? 9.29126 19.34860 -0.84282 1.000 14.04247 H ? A ? 35 HB3 1
   ATOM 573 HG2 . LYS A 35 ? 11.44099 19.32729 0.04588 1.000 22.37911 H ? A ? 35 HG2 1
   ATOM 574 HG3 . LYS A 35 ? 10.97734 20.22291 1.27401 1.000 22.37911 H ? A ? 35 HG3 1
   ATOM 575 HD2 . LYS A 35 ? 11.04383 18.18700 2.10920 1.000 39.25096 H ? A ? 35 HD2 1
   ATOM 576 HD3 . LYS A 35 ? 9.49953 18.43664 1.82950 1.000 39.25096 H ? A ? 35 HD3 1
   ATOM 577 HE2 . LYS A 35 ? 9.40271 16.86387 0.31904 1.000 36.33592 H ? A ? 35 HE2 1
   ATOM 578 HE3 . LYS A 35 ? 10.95944 16.93574 0.00782 1.000 36.33592 H ? A ? 35 HE3 1
   ATOM 579 HZ1 . LYS A 35 ? 10.49034 15.04868 1.34682 1.000 38.76966 H ? A ? 35 HZ1 1
   ATOM 580 HZ2 . LYS A 35 ? 11.35786 15.93374 2.09675 1.000 38.76966 H ? A ? 35 HZ2 1
   ATOM 581 HZ3 . LYS A 35 ? 9.94146 15.88308 2.39602 1.000 38.76966 H ? A ? 35 HZ3 1
   ATOM 582 N A PHE A 36 ? 11.88620 22.19464 -1.08339 0.419 10.41679 N ? A ? 36 N 1
   ATOM 583 CA A PHE A 36 ? 13.21170 22.30202 -1.67929 0.419 11.89423 C ? A ? 36 CA 1
   ATOM 584 C A PHE A 36 ? 14.30602 21.84171 -0.75026 0.419 11.70835 C ? A ? 36 C 1
   ATOM 585 O A PHE A 36 ? 15.47084 21.81637 -1.17982 0.419 10.61968 O ? A ? 36 O 1
   ATOM 586 CB A PHE A 36 ? 13.53111 23.74078 -2.14546 0.419 12.77581 C ? A ? 36 CB 1
   ATOM 587 CG A PHE A 36 ? 13.64980 24.74621 -1.03924 0.419 9.00363 C ? A ? 36 CG 1
   ATOM 588 CD1 A PHE A 36 ? 14.83176 24.88122 -0.33853 0.419 10.40445 C ? A ? 36 CD1 1
   ATOM 589 CD2 A PHE A 36 ? 12.56658 25.53226 -0.69566 0.419 10.53414 C ? A ? 36 CD2 1
   ATOM 590 CE1 A PHE A 36 ? 14.93166 25.75606 0.69624 0.419 9.41983 C ? A ? 36 CE1 1
   ATOM 591 CE2 A PHE A 36 ? 12.64687 26.43551 0.29662 0.419 10.47646 C ? A ? 36 CE2 1
   ATOM 592 CZ A PHE A 36 ? 13.83081 26.53838 1.02802 0.419 10.97836 C ? A ? 36 CZ 1
   ATOM 593 H A PHE A 36 ? 11.78317 22.63820 -0.35384 0.419 12.50351 H ? A ? 36 H 1
   ATOM 594 HA A PHE A 36 ? 13.22149 21.75312 -2.47898 0.419 14.27644 H ? A ? 36 HA 1
   ATOM 595 HB2 A PHE A 36 ? 14.37587 23.72993 -2.62207 0.419 15.33433 H ? A ? 36 HB2 1
   ATOM 596 HB3 A PHE A 36 ? 12.82107 24.03833 -2.73555 0.419 15.33433 H ? A ? 36 HB3 1
   ATOM 597 HD1 A PHE A 36 ? 15.56874 24.36692 -0.57780 0.419 12.48870 H ? A ? 36 HD1 1
   ATOM 598 HD2 A PHE A 36 ? 11.76664 25.43452 -1.15983 0.419 12.64433 H ? A ? 36 HD2 1
   ATOM 599 HE1 A PHE A 36 ? 15.72496 25.83064 1.17583 0.419 11.30715 H ? A ? 36 HE1 1
   ATOM 600 HE2 A PHE A 36 ? 11.92264 26.98483 0.49318 0.419 12.57511 H ? A ? 36 HE2 1
   ATOM 601 HZ A PHE A 36 ? 13.88395 27.13315 1.74099 0.419 13.17740 H ? A ? 36 HZ 1
   ATOM 602 N B PHE A 36 ? 11.86991 22.23717 -1.10624 0.581 10.37863 N ? A ? 36 N 1
   ATOM 603 CA B PHE A 36 ? 13.20562 22.26969 -1.68567 0.581 11.89640 C ? A ? 36 CA 1
   ATOM 604 C B PHE A 36 ? 14.23482 21.63087 -0.78867 0.581 11.62253 C ? A ? 36 C 1
   ATOM 605 O B PHE A 36 ? 15.26682 21.20021 -1.28990 0.581 12.27014 O ? A ? 36 O 1
   ATOM 606 CB B PHE A 36 ? 13.68006 23.69371 -2.08799 0.581 12.79552 C ? A ? 36 CB 1
   ATOM 607 CG B PHE A 36 ? 13.52494 24.78793 -1.04501 0.581 8.94664 C ? A ? 36 CG 1
   ATOM 608 CD1 B PHE A 36 ? 14.47106 24.95571 -0.07898 0.581 10.35036 C ? A ? 36 CD1 1
   ATOM 609 CD2 B PHE A 36 ? 12.43481 25.64471 -1.05864 0.581 10.92484 C ? A ? 36 CD2 1
   ATOM 610 CE1 B PHE A 36 ? 14.33553 25.87732 0.87927 0.581 10.08221 C ? A ? 36 CE1 1
   ATOM 611 CE2 B PHE A 36 ? 12.27598 26.64588 -0.11567 0.581 9.20972 C ? A ? 36 CE2 1
   ATOM 612 CZ B PHE A 36 ? 13.23880 26.77569 0.87309 0.581 11.39183 C ? A ? 36 CZ 1
   ATOM 613 H B PHE A 36 ? 11.75077 22.73958 -0.41850 0.581 12.45772 H ? A ? 36 H 1
   ATOM 614 HA B PHE A 36 ? 13.16881 21.78882 -2.52728 0.581 14.27905 H ? A ? 36 HA 1
   ATOM 615 HB2 B PHE A 36 ? 14.62343 23.64453 -2.30828 0.581 15.35798 H ? A ? 36 HB2 1
   ATOM 616 HB3 B PHE A 36 ? 13.17162 23.97058 -2.86628 0.581 15.35798 H ? A ? 36 HB3 1
   ATOM 617 HD1 B PHE A 36 ? 15.22868 24.41640 -0.08664 0.581 12.42379 H ? A ? 36 HD1 1
   ATOM 618 HD2 B PHE A 36 ? 11.79049 25.54373 -1.72164 0.581 13.11318 H ? A ? 36 HD2 1
   ATOM 619 HE1 B PHE A 36 ? 14.96850 25.93000 1.55859 0.581 12.10202 H ? A ? 36 HE1 1
   ATOM 620 HE2 B PHE A 36 ? 11.54226 27.21658 -0.14486 0.581 11.05503 H ? A ? 36 HE2 1
   ATOM 621 HZ B PHE A 36 ? 13.16668 27.43966 1.52027 0.581 13.67355 H ? A ? 36 HZ 1
   ATOM 622 N . ASP A 37 ? 13.98343 21.53441 0.52312 1.000 9.14022 N ? A ? 37 N 1
   ATOM 623 CA . ASP A 37 ? 14.97042 20.96483 1.45004 1.000 9.23708 C ? A ? 37 CA 1
   ATOM 624 C . ASP A 37 ? 14.27464 20.55070 2.73053 1.000 10.38958 C ? A ? 37 C 1
   ATOM 625 O . ASP A 37 ? 13.23087 21.09611 3.06199 1.000 11.72600 O ? A ? 37 O 1
   ATOM 626 CB . ASP A 37 ? 16.02468 22.07566 1.73481 1.000 11.15409 C ? A ? 37 CB 1
   ATOM 627 CG . ASP A 37 ? 17.25565 21.62711 2.47643 1.000 11.80698 C ? A ? 37 CG 1
   ATOM 628 OD1 . ASP A 37 ? 17.47427 20.42012 2.58316 1.000 12.18008 O ? A ? 37 OD1 1
   ATOM 629 OD2 . ASP A 37 ? 17.97968 22.49874 2.99794 1.000 12.63589 O ? A ? 37 OD2 1
   ATOM 630 HA . ASP A 37 ? 15.38748 20.16564 1.09191 1.000 11.08786 H ? A ? 37 HA 1
   ATOM 631 HB2 . ASP A 37 ? 16.31756 22.44343 0.88637 1.000 13.38827 H ? A ? 37 HB2 1
   ATOM 632 HB3 . ASP A 37 ? 15.60298 22.76733 2.26835 1.000 13.38827 H ? A ? 37 HB3 1
   ATOM 633 H A ASP A 37 ? 13.20326 21.64768 0.86679 0.419 10.97162 H ? A ? 37 H 1
   ATOM 634 H B ASP A 37 ? 13.25327 21.79016 0.89870 0.581 10.97162 H ? A ? 37 H 1
   ATOM 635 N . SER A 38 ? 14.83863 19.53680 3.40473 1.000 12.12907 N ? A ? 38 N 1
   ATOM 636 CA . SER A 38 ? 14.41307 19.20101 4.76334 1.000 10.84373 C ? A ? 38 CA 1
   ATOM 637 C . SER A 38 ? 15.47761 18.45385 5.52425 1.000 16.00643 C ? A ? 38 C 1
   ATOM 638 O . SER A 38 ? 16.14534 17.56896 4.97603 1.000 14.04047 O ? A ? 38 O 1
   ATOM 639 CB . SER A 38 ? 13.19174 18.34296 4.60066 1.000 14.01709 C ? A ? 38 CB 1
   ATOM 640 OG . SER A 38 ? 12.76896 17.73997 5.77423 1.000 15.18620 O ? A ? 38 OG 1
   ATOM 641 H . SER A 38 ? 15.46471 19.03471 3.09565 1.000 14.55825 H ? A ? 38 H 1
   ATOM 642 HA . SER A 38 ? 14.25527 20.00207 5.28707 1.000 13.01583 H ? A ? 38 HA 1
   ATOM 643 HB2 . SER A 38 ? 12.47078 18.90101 4.26945 1.000 16.82387 H ? A ? 38 HB2 1
   ATOM 644 HB3 . SER A 38 ? 13.39415 17.64590 3.95721 1.000 16.82387 H ? A ? 38 HB3 1
   ATOM 645 HG . SER A 38 ? 12.64328 18.32168 6.36703 1.000 18.22680 H ? A ? 38 HG 1
   ATOM 646 N . SER A 39 ? 15.67256 18.84761 6.75131 1.000 10.40195 N ? A ? 39 N 1
   ATOM 647 CA . SER A 39 ? 16.58438 18.10665 7.60273 1.000 8.35480 C ? A ? 39 CA 1
   ATOM 648 C . SER A 39 ? 15.98981 16.75025 7.97986 1.000 15.37811 C ? A ? 39 C 1
   ATOM 649 O . SER A 39 ? 16.74299 15.78644 8.24666 1.000 18.56319 O ? A ? 39 O 1
   ATOM 650 CB . SER A 39 ? 16.89934 18.92562 8.86933 1.000 12.52195 C ? A ? 39 CB 1
   ATOM 651 OG . SER A 39 ? 15.75024 19.14206 9.67336 1.000 10.21164 O ? A ? 39 OG 1
   ATOM 652 H . SER A 39 ? 15.29975 19.52930 7.11996 1.000 12.48570 H ? A ? 39 H 1
   ATOM 653 HA . SER A 39 ? 17.41883 17.95649 7.13153 1.000 10.02912 H ? A ? 39 HA 1
   ATOM 654 HB2 . SER A 39 ? 17.55766 18.44350 9.39381 1.000 15.02970 H ? A ? 39 HB2 1
   ATOM 655 HB3 . SER A 39 ? 17.25551 19.78684 8.60036 1.000 15.02970 H ? A ? 39 HB3 1
   ATOM 656 HG . SER A 39 ? 15.19907 18.51829 9.56062 1.000 12.25733 H ? A ? 39 HG 1
   ATOM 657 N . ARG A 40 ? 14.64565 16.66793 8.03114 1.000 14.71184 N ? A ? 40 N 1
   ATOM 658 CA . ARG A 40 ? 13.93618 15.43526 8.40331 1.000 19.11448 C ? A ? 40 CA 1
   ATOM 659 C . ARG A 40 ? 14.29386 14.33249 7.42394 1.000 19.38990 C ? A ? 40 C 1
   ATOM 660 O . ARG A 40 ? 14.39859 13.15663 7.80372 1.000 28.80582 O ? A ? 40 O 1
   ATOM 661 CB . ARG A 40 ? 12.39261 15.67682 8.45939 1.000 20.52081 C ? A ? 40 CB 1
   ATOM 662 CG . ARG A 40 ? 11.89368 16.41769 9.74772 1.000 28.79780 C ? A ? 40 CG 1
   ATOM 663 CD . ARG A 40 ? 10.32120 16.83821 9.77228 1.000 28.82324 C ? A ? 40 CD 1
   ATOM 664 NE . ARG A 40 ? 10.00738 17.95841 10.69028 1.000 27.39218 N ? A ? 40 NE 1
   ATOM 665 CZ . ARG A 40 ? 9.74741 19.25323 10.33042 1.000 33.54391 C ? A ? 40 CZ 1
   ATOM 666 NH1 . ARG A 40 ? 9.58410 19.61808 9.06215 1.000 27.16071 N ? A ? 40 NH1 1
   ATOM 667 NH2 . ARG A 40 ? 9.59504 20.21617 11.29102 1.000 21.73001 N ? A ? 40 NH2 1
   ATOM 668 H . ARG A 40 ? 14.11651 17.32183 7.85217 1.000 17.65758 H ? A ? 40 H 1
   ATOM 669 HA . ARG A 40 ? 14.19297 15.15810 9.29670 1.000 22.94074 H ? A ? 40 HA 1
   ATOM 670 HB2 . ARG A 40 ? 12.13681 16.21580 7.69456 1.000 24.62833 H ? A ? 40 HB2 1
   ATOM 671 HB3 . ARG A 40 ? 11.94446 14.81727 8.42430 1.000 24.62833 H ? A ? 40 HB3 1
   ATOM 672 HG2 . ARG A 40 ? 12.04474 15.83632 10.50936 1.000 34.56072 H ? A ? 40 HG2 1
   ATOM 673 HG3 . ARG A 40 ? 12.40817 17.23407 9.84631 1.000 34.56072 H ? A ? 40 HG3 1
   ATOM 674 HD2 . ARG A 40 ? 10.05753 17.10802 8.87865 1.000 34.59125 H ? A ? 40 HD2 1
   ATOM 675 HD3 . ARG A 40 ? 9.79870 16.07144 10.05506 1.000 34.59125 H ? A ? 40 HD3 1
   ATOM 676 HE . ARG A 40 ? 9.98657 17.77740 11.53076 1.000 32.87398 H ? A ? 40 HE 1
   ATOM 677 HH11 . ARG A 40 ? 9.64084 19.03196 8.43537 1.000 32.59621 H ? A ? 40 HH11 1
   ATOM 678 HH12 . ARG A 40 ? 9.42175 20.44017 8.86869 1.000 32.59621 H ? A ? 40 HH12 1
   ATOM 679 HH21 . ARG A 40 ? 9.66259 20.00830 12.12278 1.000 26.07937 H ? A ? 40 HH21 1
   ATOM 680 HH22 . ARG A 40 ? 9.43175 21.02912 11.06285 1.000 26.07937 H ? A ? 40 HH22 1
   ATOM 681 N . ASP A 41 ? 14.54592 14.69101 6.16843 1.000 17.64841 N ? A ? 41 N 1
   ATOM 682 CA . ASP A 41 ? 14.87447 13.67512 5.18546 1.000 19.46907 C ? A ? 41 CA 1
   ATOM 683 C . ASP A 41 ? 16.25584 13.09818 5.40839 1.000 26.81287 C ? A ? 41 C 1
   ATOM 684 O . ASP A 41 ? 16.49140 11.92096 5.11750 1.000 30.01506 O ? A ? 41 O 1
   ATOM 685 CB . ASP A 41 ? 14.78538 14.21465 3.76329 1.000 23.66174 C ? A ? 41 CB 1
   ATOM 686 CG . ASP A 41 ? 13.34005 14.55474 3.37306 1.000 25.74889 C ? A ? 41 CG 1
   ATOM 687 OD1 . ASP A 41 ? 12.32968 14.11438 3.99028 1.000 30.40312 O ? A ? 41 OD1 1
   ATOM 688 OD2 . ASP A 41 ? 13.20373 15.28642 2.41080 1.000 31.69764 O ? A ? 41 OD2 1
   ATOM 689 H . ASP A 41 ? 14.53286 15.49743 5.86992 1.000 21.18146 H ? A ? 41 H 1
   ATOM 690 HA . ASP A 41 ? 14.21450 12.97023 5.27745 1.000 23.36625 H ? A ? 41 HA 1
   ATOM 691 HB2 . ASP A 41 ? 15.31736 15.02277 3.69380 1.000 28.39745 H ? A ? 41 HB2 1
   ATOM 692 HB3 . ASP A 41 ? 15.11758 13.54462 3.14554 1.000 28.39745 H ? A ? 41 HB3 1
   ATOM 693 N . ARG A 42 ? 17.16880 13.90023 5.88977 1.000 22.12360 N ? A ? 42 N 1
   ATOM 694 CA . ARG A 42 ? 18.51109 13.49033 6.26134 1.000 25.39241 C ? A ? 42 CA 1
   ATOM 695 C . ARG A 42 ? 18.60873 12.81526 7.60945 1.000 26.37914 C ? A ? 42 C 1
   ATOM 696 O . ARG A 42 ? 19.72010 12.40283 7.98548 1.000 30.10605 O ? A ? 42 O 1
   ATOM 697 CB . ARG A 42 ? 19.42203 14.72801 6.29287 1.000 23.31353 C ? A ? 42 CB 1
   ATOM 698 CG . ARG A 42 ? 19.55699 15.27870 4.96246 1.000 18.89997 C ? A ? 42 CG 1
   ATOM 699 CD . ARG A 42 ? 20.64160 16.37585 4.90441 1.000 18.87914 C ? A ? 42 CD 1
   ATOM 700 NE . ARG A 42 ? 20.37161 17.57394 5.73767 1.000 17.75927 N ? A ? 42 NE 1
   ATOM 701 CZ . ARG A 42 ? 19.74649 18.63743 5.25897 1.000 17.44398 C ? A ? 42 CZ 1
   ATOM 702 NH1 . ARG A 42 ? 19.25068 18.66390 4.00938 1.000 13.53703 N ? A ? 42 NH1 1
   ATOM 703 NH2 . ARG A 42 ? 19.53200 19.66012 6.06708 1.000 13.36407 N ? A ? 42 NH2 1
   ATOM 704 H . ARG A 42 ? 17.03609 14.73957 6.02203 1.000 26.55168 H ? A ? 42 H 1
   ATOM 705 HA . ARG A 42 ? 18.81956 12.85806 5.59354 1.000 30.47426 H ? A ? 42 HA 1
   ATOM 706 HB2 . ARG A 42 ? 19.03480 15.40310 6.87184 1.000 27.97961 H ? A ? 42 HB2 1
   ATOM 707 HB3 . ARG A 42 ? 20.30121 14.47749 6.61718 1.000 27.97961 H ? A ? 42 HB3 1
   ATOM 708 HG2 . ARG A 42 ? 19.80679 14.57178 4.34702 1.000 22.68333 H ? A ? 42 HG2 1
   ATOM 709 HG3 . ARG A 42 ? 18.71263 15.67165 4.69128 1.000 22.68333 H ? A ? 42 HG3 1
   ATOM 710 HD2 . ARG A 42 ? 21.48035 15.99489 5.20819 1.000 22.65834 H ? A ? 42 HD2 1
   ATOM 711 HD3 . ARG A 42 ? 20.72666 16.67528 3.98571 1.000 22.65834 H ? A ? 42 HD3 1
   ATOM 712 HE . ARG A 42 ? 20.62974 17.57710 6.55801 1.000 21.31449 H ? A ? 42 HE 1
   ATOM 713 HH11 . ARG A 42 ? 19.33595 17.97751 3.49830 1.000 16.24780 H ? A ? 42 HH11 1
   ATOM 714 HH12 . ARG A 42 ? 18.84830 19.36722 3.72123 1.000 16.24780 H ? A ? 42 HH12 1
   ATOM 715 HH21 . ARG A 42 ? 19.79692 19.62517 6.88451 1.000 16.04024 H ? A ? 42 HH21 1
   ATOM 716 HH22 . ARG A 42 ? 19.12744 20.36088 5.77576 1.000 16.04024 H ? A ? 42 HH22 1
   ATOM 717 N . ASN A 43 ? 17.52523 12.77371 8.36715 1.000 21.26785 N ? A ? 43 N 1
   ATOM 718 CA . ASN A 43 ? 17.48222 12.20115 9.70164 1.000 26.80558 C ? A ? 43 CA 1
   ATOM 719 C . ASN A 43 ? 18.55223 12.77624 10.61807 1.000 27.00864 C ? A ? 43 C 1
   ATOM 720 O . ASN A 43 ? 19.16284 12.06577 11.43091 1.000 29.52134 O ? A ? 43 O 1
   ATOM 721 CB . ASN A 43 ? 17.58586 10.68294 9.65582 1.000 33.23404 C ? A ? 43 CB 1
   ATOM 722 CG . ASN A 43 ? 16.37103 10.05698 9.05003 1.000 33.41171 C ? A ? 43 CG 1
   ATOM 723 OD1 . ASN A 43 ? 15.23705 10.04084 9.63358 1.000 36.57945 O ? A ? 43 OD1 1
   ATOM 724 ND2 . ASN A 43 ? 16.58149 9.53419 7.86200 1.000 31.23354 N ? A ? 43 ND2 1
   ATOM 725 H . ASN A 43 ? 16.76359 13.08637 8.11867 1.000 25.52479 H ? A ? 43 H 1
   ATOM 726 HA . ASN A 43 ? 16.62341 12.44208 10.08280 1.000 32.17006 H ? A ? 43 HA 1
   ATOM 727 HB2 . ASN A 43 ? 18.35510 10.43167 9.12100 1.000 39.88422 H ? A ? 43 HB2 1
   ATOM 728 HB3 . ASN A 43 ? 17.68409 10.34247 10.55878 1.000 39.88422 H ? A ? 43 HB3 1
   ATOM 729 HD21 . ASN A 43 ? 15.93669 9.15275 7.43970 1.000 37.48361 H ? A ? 43 HD21 1
   ATOM 730 HD22 . ASN A 43 ? 17.36393 9.57370 7.50728 1.000 37.48361 H ? A ? 43 HD22 1
   ATOM 731 N . LYS A 44 ? 18.76030 14.09123 10.49550 1.000 21.75239 N ? A ? 44 N 1
   ATOM 732 CA . LYS A 44 ? 19.82676 14.77654 11.18691 1.000 22.13013 C ? A ? 44 CA 1
   ATOM 733 C . LYS A 44 ? 19.38318 16.20058 11.44690 1.000 16.06301 C ? A ? 44 C 1
   ATOM 734 O . LYS A 44 ? 19.20617 16.95686 10.46939 1.000 16.95784 O ? A ? 44 O 1
   ATOM 735 CB . LYS A 44 ? 21.09619 14.77850 10.35197 1.000 26.20453 C ? A ? 44 CB 1
   ATOM 736 CG . LYS A 44 ? 22.24418 15.55784 10.96941 1.000 31.15874 C ? A ? 44 CG 1
   ATOM 737 CD . LYS A 44 ? 23.62138 15.26405 10.26957 1.000 43.44597 C ? A ? 44 CD 1
   ATOM 738 CE . LYS A 44 ? 23.48269 14.85419 8.77427 1.000 55.38454 C ? A ? 44 CE 1
   ATOM 739 NZ . LYS A 44 ? 24.56636 13.85176 8.34361 1.000 57.93095 N ? A ? 44 NZ 1
   ATOM 740 H . LYS A 44 ? 18.28099 14.60975 10.00460 1.000 26.10623 H ? A ? 44 H 1
   ATOM 741 HA . LYS A 44 ? 20.02102 14.33078 12.02623 1.000 26.55952 H ? A ? 44 HA 1
   ATOM 742 HB2 . LYS A 44 ? 21.39180 13.86214 10.23449 1.000 31.44880 H ? A ? 44 HB2 1
   ATOM 743 HB3 . LYS A 44 ? 20.89986 15.17690 9.48963 1.000 31.44880 H ? A ? 44 HB3 1
   ATOM 744 HG2 . LYS A 44 ? 22.06276 16.50723 10.88783 1.000 37.39385 H ? A ? 44 HG2 1
   ATOM 745 HG3 . LYS A 44 ? 22.32524 15.31476 11.90495 1.000 37.39385 H ? A ? 44 HG3 1
   ATOM 746 HD2 . LYS A 44 ? 24.16964 16.06331 10.30817 1.000 52.13853 H ? A ? 44 HD2 1
   ATOM 747 HD3 . LYS A 44 ? 24.06171 14.53680 10.73660 1.000 52.13853 H ? A ? 44 HD3 1
   ATOM 748 HE2 . LYS A 44 ? 22.61635 14.44017 8.63660 1.000 66.46481 H ? A ? 44 HE2 1
   ATOM 749 HE3 . LYS A 44 ? 23.56459 15.64491 8.21843 1.000 66.46481 H ? A ? 44 HE3 1
   ATOM 750 HZ1 . LYS A 44 ? 24.45986 13.63800 7.48625 1.000 69.52051 H ? A ? 44 HZ1 1
   ATOM 751 HZ2 . LYS A 44 ? 25.37356 14.21007 8.45383 1.000 69.52051 H ? A ? 44 HZ2 1
   ATOM 752 HZ3 . LYS A 44 ? 24.50921 13.11192 8.83500 1.000 69.52051 H ? A ? 44 HZ3 1
   ATOM 753 N . PRO A 45 ? 19.16870 16.57354 12.70110 1.000 16.35896 N ? A ? 45 N 1
   ATOM 754 CA . PRO A 45 ? 18.75581 17.95439 13.01077 1.000 15.10620 C ? A ? 45 CA 1
   ATOM 755 C . PRO A 45 ? 19.82196 18.92797 12.60214 1.000 14.84262 C ? A ? 45 C 1
   ATOM 756 O . PRO A 45 ? 21.02660 18.61787 12.55178 1.000 15.41510 O ? A ? 45 O 1
   ATOM 757 CB . PRO A 45 ? 18.60839 17.98661 14.53207 1.000 17.70412 C ? A ? 45 CB 1
   ATOM 758 CG . PRO A 45 ? 18.70509 16.52374 14.97303 1.000 27.90835 C ? A ? 45 CG 1
   ATOM 759 CD . PRO A 45 ? 19.54722 15.85027 13.92303 1.000 19.52041 C ? A ? 45 CD 1
   ATOM 760 HA . PRO A 45 ? 17.90451 18.14723 12.58770 1.000 18.13080 H ? A ? 45 HA 1
   ATOM 761 HB2 . PRO A 45 ? 19.32315 18.51418 14.92153 1.000 21.24830 H ? A ? 45 HB2 1
   ATOM 762 HB3 . PRO A 45 ? 17.74809 18.36501 14.77206 1.000 21.24830 H ? A ? 45 HB3 1
   ATOM 763 HG2 . PRO A 45 ? 19.12881 16.46904 15.84388 1.000 33.49339 H ? A ? 45 HG2 1
   ATOM 764 HG3 . PRO A 45 ? 17.81888 16.13110 15.01003 1.000 33.49339 H ? A ? 45 HG3 1
   ATOM 765 HD2 . PRO A 45 ? 20.49240 15.95767 14.11280 1.000 23.42785 H ? A ? 45 HD2 1
   ATOM 766 HD3 . PRO A 45 ? 19.32804 14.90802 13.85219 1.000 23.42785 H ? A ? 45 HD3 1
   ATOM 767 N A PHE A 46 ? 19.38234 20.17332 12.42205 0.448 12.20236 N ? A ? 46 N 1
   ATOM 768 CA A PHE A 46 ? 20.21933 21.27188 11.97712 0.448 11.83313 C ? A ? 46 CA 1
   ATOM 769 C A PHE A 46 ? 20.52325 22.16461 13.17498 0.448 12.59077 C ? A ? 46 C 1
   ATOM 770 O A PHE A 46 ? 19.62583 22.47949 13.96548 0.448 12.14524 O ? A ? 46 O 1
   ATOM 771 CB A PHE A 46 ? 19.51660 22.05800 10.84704 0.448 10.40299 C ? A ? 46 CB 1
   ATOM 772 CG A PHE A 46 ? 20.15545 23.39839 10.53871 0.448 12.37849 C ? A ? 46 CG 1
   ATOM 773 CD1 A PHE A 46 ? 21.38798 23.47516 9.89500 0.448 13.58602 C ? A ? 46 CD1 1
   ATOM 774 CD2 A PHE A 46 ? 19.53625 24.57828 10.89405 0.448 10.72377 C ? A ? 46 CD2 1
   ATOM 775 CE1 A PHE A 46 ? 21.99041 24.69989 9.66106 0.448 12.81521 C ? A ? 46 CE1 1
   ATOM 776 CE2 A PHE A 46 ? 20.14102 25.79484 10.65463 0.448 12.08067 C ? A ? 46 CE2 1
   ATOM 777 CZ A PHE A 46 ? 21.36884 25.85172 10.03655 0.448 11.62229 C ? A ? 46 CZ 1
   ATOM 778 H A PHE A 46 ? 18.56710 20.41070 12.55857 0.448 14.64620 H ? A ? 46 H 1
   ATOM 779 HA A PHE A 46 ? 21.06195 20.94608 11.62391 0.448 14.20312 H ? A ? 46 HA 1
   ATOM 780 HB2 A PHE A 46 ? 19.54122 21.52598 10.03634 0.448 12.48695 H ? A ? 46 HB2 1
   ATOM 781 HB3 A PHE A 46 ? 18.59699 22.22255 11.10807 0.448 12.48695 H ? A ? 46 HB3 1
   ATOM 782 HD1 A PHE A 46 ? 21.81154 22.69459 9.61894 0.448 16.30659 H ? A ? 46 HD1 1
   ATOM 783 HD2 A PHE A 46 ? 18.70008 24.55350 11.30038 0.448 12.87188 H ? A ? 46 HD2 1
   ATOM 784 HE1 A PHE A 46 ? 22.82200 24.73581 9.24625 0.448 15.38161 H ? A ? 46 HE1 1
   ATOM 785 HE2 A PHE A 46 ? 19.71633 26.58099 10.91250 0.448 14.50017 H ? A ? 46 HE2 1
   ATOM 786 HZ A PHE A 46 ? 21.77280 26.67384 9.87580 0.448 13.95011 H ? A ? 46 HZ 1
   ATOM 787 N B PHE A 46 ? 19.37858 20.15986 12.40465 0.552 12.19511 N ? A ? 46 N 1
   ATOM 788 CA B PHE A 46 ? 20.23330 21.24825 12.00139 0.552 11.81617 C ? A ? 46 CA 1
   ATOM 789 C B PHE A 46 ? 20.53775 22.09057 13.22888 0.552 12.61147 C ? A ? 46 C 1
   ATOM 790 O B PHE A 46 ? 19.66880 22.28538 14.09425 0.552 12.04771 O ? A ? 46 O 1
   ATOM 791 CB B PHE A 46 ? 19.55686 22.07933 10.89543 0.552 10.40065 C ? A ? 46 CB 1
   ATOM 792 CG B PHE A 46 ? 20.33633 23.30365 10.50641 0.552 12.51837 C ? A ? 46 CG 1
   ATOM 793 CD1 B PHE A 46 ? 21.59347 23.19574 9.92220 0.552 13.87168 C ? A ? 46 CD1 1
   ATOM 794 CD2 B PHE A 46 ? 19.84775 24.56477 10.74450 0.552 10.54093 C ? A ? 46 CD2 1
   ATOM 795 CE1 B PHE A 46 ? 22.33808 24.35819 9.60467 0.552 13.39005 C ? A ? 46 CE1 1
   ATOM 796 CE2 B PHE A 46 ? 20.57785 25.68524 10.42226 0.552 11.64301 C ? A ? 46 CE2 1
   ATOM 797 CZ B PHE A 46 ? 21.81669 25.59494 9.86775 0.552 11.97789 C ? A ? 46 CZ 1
   ATOM 798 H B PHE A 46 ? 18.55637 20.39202 12.50300 0.552 14.63750 H ? A ? 46 H 1
   ATOM 799 HA B PHE A 46 ? 21.07288 20.92719 11.63679 0.552 14.18277 H ? A ? 46 HA 1
   ATOM 800 HB2 B PHE A 46 ? 19.45748 21.52635 10.10471 0.552 12.48415 H ? A ? 46 HB2 1
   ATOM 801 HB3 B PHE A 46 ? 18.68592 22.36862 11.20956 0.552 12.48415 H ? A ? 46 HB3 1
   ATOM 802 HD1 B PHE A 46 ? 21.94749 22.35553 9.73887 0.552 16.64938 H ? A ? 46 HD1 1
   ATOM 803 HD2 B PHE A 46 ? 19.00753 24.66317 11.13082 0.552 12.65248 H ? A ? 46 HD2 1
   ATOM 804 HE1 B PHE A 46 ? 23.18025 24.28053 9.21786 0.552 16.07142 H ? A ? 46 HE1 1
   ATOM 805 HE2 B PHE A 46 ? 20.21537 26.52557 10.58768 0.552 13.97498 H ? A ? 46 HE2 1
   ATOM 806 HZ B PHE A 46 ? 22.30221 26.36319 9.67035 0.552 14.37684 H ? A ? 46 HZ 1
   ATOM 807 N . LYS A 47 ? 21.77898 22.51256 13.35441 1.000 10.93326 N ? A ? 47 N 1
   ATOM 808 CA . LYS A 47 ? 22.18629 23.31767 14.49186 1.000 9.69069 C ? A ? 47 CA 1
   ATOM 809 C . LYS A 47 ? 22.77183 24.64399 14.03282 1.000 15.14843 C ? A ? 47 C 1
   ATOM 810 O . LYS A 47 ? 23.53425 24.71926 13.06622 1.000 13.95210 O ? A ? 47 O 1
   ATOM 811 CB . LYS A 47 ? 23.18242 22.55674 15.34022 1.000 18.21835 C ? A ? 47 CB 1
   ATOM 812 CG . LYS A 47 ? 22.66147 21.21764 15.77039 1.000 18.63919 C ? A ? 47 CG 1
   ATOM 813 CD . LYS A 47 ? 23.74493 20.63246 16.69318 1.000 26.41105 C ? A ? 47 CD 1
   ATOM 814 CE . LYS A 47 ? 23.35696 19.28834 17.22846 1.000 29.52709 C ? A ? 47 CE 1
   ATOM 815 NZ . LYS A 47 ? 24.40405 18.82781 18.19415 1.000 35.75289 N ? A ? 47 NZ 1
   ATOM 816 HA . LYS A 47 ? 21.41218 23.53102 15.03604 1.000 11.63219 H ? A ? 47 HA 1
   ATOM 817 HB2 . LYS A 47 ? 23.99296 22.41461 14.82667 1.000 21.86538 H ? A ? 47 HB2 1
   ATOM 818 HB3 . LYS A 47 ? 23.38068 23.07364 16.13671 1.000 21.86538 H ? A ? 47 HB3 1
   ATOM 819 HG2 . LYS A 47 ? 21.82888 21.31328 16.25880 1.000 22.37040 H ? A ? 47 HG2 1
   ATOM 820 HG3 . LYS A 47 ? 22.53191 20.63681 15.00439 1.000 22.37040 H ? A ? 47 HG3 1
   ATOM 821 HD2 . LYS A 47 ? 24.57060 20.53309 16.19390 1.000 31.69662 H ? A ? 47 HD2 1
   ATOM 822 HD3 . LYS A 47 ? 23.88163 21.23013 17.44484 1.000 31.69662 H ? A ? 47 HD3 1
   ATOM 823 HE2 . LYS A 47 ? 22.50640 19.34948 17.69076 1.000 35.43587 H ? A ? 47 HE2 1
   ATOM 824 HE3 . LYS A 47 ? 23.29448 18.64860 16.50201 1.000 35.43587 H ? A ? 47 HE3 1
   ATOM 825 HZ1 . LYS A 47 ? 24.13251 18.08794 18.60761 1.000 42.90684 H ? A ? 47 HZ1 1
   ATOM 826 HZ2 . LYS A 47 ? 25.16237 18.65514 17.76144 1.000 42.90684 H ? A ? 47 HZ2 1
   ATOM 827 HZ3 . LYS A 47 ? 24.55600 19.45944 18.80248 1.000 42.90684 H ? A ? 47 HZ3 1
   ATOM 828 H A LYS A 47 ? 22.42231 22.29375 12.82729 0.448 13.12328 H ? A ? 47 H 1
   ATOM 829 H B LYS A 47 ? 22.40808 22.34588 12.79223 0.552 13.12328 H ? A ? 47 H 1
   ATOM 830 N . PHE A 48 ? 22.45909 25.68441 14.76762 1.000 10.84354 N ? A ? 48 N 1
   ATOM 831 CA . PHE A 48 ? 22.97659 27.00139 14.44142 1.000 13.69353 C ? A ? 48 CA 1
   ATOM 832 C . PHE A 48 ? 22.92239 27.86627 15.69289 1.000 14.43322 C ? A ? 48 C 1
   ATOM 833 O . PHE A 48 ? 22.29567 27.51981 16.68153 1.000 13.82616 O ? A ? 48 O 1
   ATOM 834 CB . PHE A 48 ? 22.19062 27.64586 13.27911 1.000 11.04745 C ? A ? 48 CB 1
   ATOM 835 CG . PHE A 48 ? 20.84567 28.11049 13.68967 1.000 9.78920 C ? A ? 48 CG 1
   ATOM 836 CD1 . PHE A 48 ? 19.81966 27.20862 13.80907 1.000 16.46544 C ? A ? 48 CD1 1
   ATOM 837 CD2 . PHE A 48 ? 20.60590 29.39201 13.94181 1.000 11.85686 C ? A ? 48 CD2 1
   ATOM 838 CE1 . PHE A 48 ? 18.57921 27.58077 14.23411 1.000 17.80423 C ? A ? 48 CE1 1
   ATOM 839 CE2 . PHE A 48 ? 19.35666 29.80919 14.39802 1.000 15.21981 C ? A ? 48 CE2 1
   ATOM 840 CZ . PHE A 48 ? 18.33517 28.89104 14.50291 1.000 15.21231 C ? A ? 48 CZ 1
   ATOM 841 H . PHE A 48 ? 21.95018 25.65989 15.46045 1.000 13.01562 H ? A ? 48 H 1
   ATOM 842 HA . PHE A 48 ? 23.90423 26.92173 14.16932 1.000 16.43559 H ? A ? 48 HA 1
   ATOM 843 HB2 . PHE A 48 ? 22.68575 28.41180 12.94884 1.000 13.26030 H ? A ? 48 HB2 1
   ATOM 844 HB3 . PHE A 48 ? 22.07998 26.99199 12.57121 1.000 13.26030 H ? A ? 48 HB3 1
   ATOM 845 HD1 . PHE A 48 ? 19.97465 26.31725 13.59381 1.000 19.76189 H ? A ? 48 HD1 1
   ATOM 846 HD2 . PHE A 48 ? 21.28020 30.01926 13.81232 1.000 14.23160 H ? A ? 48 HD2 1
   ATOM 847 HE1 . PHE A 48 ? 17.90771 26.94596 14.33901 1.000 21.36843 H ? A ? 48 HE1 1
   ATOM 848 HE2 . PHE A 48 ? 19.21421 30.69863 14.62932 1.000 18.26714 H ? A ? 48 HE2 1
   ATOM 849 HZ . PHE A 48 ? 17.48352 29.16579 14.75612 1.000 18.25814 H ? A ? 48 HZ 1
   ATOM 850 N . MET A 49 ? 23.63491 29.00155 15.65567 1.000 15.45396 N ? A ? 49 N 1
   ATOM 851 CA . MET A 49 ? 23.68574 29.94068 16.77692 1.000 18.94852 C ? A ? 49 CA 1
   ATOM 852 C . MET A 49 ? 23.13315 31.28015 16.36358 1.000 16.19513 C ? A ? 49 C 1
   ATOM 853 O . MET A 49 ? 23.36596 31.73067 15.24326 1.000 18.23459 O ? A ? 49 O 1
   ATOM 854 CB . MET A 49 ? 25.11206 30.16886 17.30480 1.000 24.07954 C ? A ? 49 CB 1
   ATOM 855 CG . MET A 49 ? 25.77144 28.90243 17.62579 1.000 29.86047 C ? A ? 49 CG 1
   ATOM 856 SD . MET A 49 ? 27.32911 29.18716 18.52160 1.000 38.28342 S ? A ? 49 SD 1
   ATOM 857 CE . MET A 49 ? 27.48599 30.94076 18.63758 1.000 28.44103 C ? A ? 49 CE 1
   ATOM 858 H . MET A 49 ? 24.10345 29.24986 14.97861 1.000 18.54812 H ? A ? 49 H 1
   ATOM 859 HA . MET A 49 ? 23.15247 29.55408 17.48900 1.000 22.74159 H ? A ? 49 HA 1
   ATOM 860 HB2 . MET A 49 ? 25.63614 30.62369 16.62704 1.000 28.89881 H ? A ? 49 HB2 1
   ATOM 861 HB3 . MET A 49 ? 25.07362 30.70693 18.11097 1.000 28.89881 H ? A ? 49 HB3 1
   ATOM 862 HG2 . MET A 49 ? 25.18781 28.36761 18.18636 1.000 35.83593 H ? A ? 49 HG2 1
   ATOM 863 HG3 . MET A 49 ? 25.97155 28.42559 16.80513 1.000 35.83593 H ? A ? 49 HG3 1
   ATOM 864 HE1 . MET A 49 ? 28.33084 31.15476 19.06340 1.000 34.13261 H ? A ? 49 HE1 1
   ATOM 865 HE2 . MET A 49 ? 27.46001 31.31985 17.74510 1.000 34.13261 H ? A ? 49 HE2 1
   ATOM 866 HE3 . MET A 49 ? 26.75135 31.28925 19.16650 1.000 34.13261 H ? A ? 49 HE3 1
   ATOM 867 N . LEU A 50 ? 22.32432 31.87078 17.22484 1.000 15.91027 N ? A ? 50 N 1
   ATOM 868 CA . LEU A 50 ? 21.85822 33.22667 17.00697 1.000 16.47484 C ? A ? 50 CA 1
   ATOM 869 C . LEU A 50 ? 22.94723 34.26247 17.18587 1.000 22.30255 C ? A ? 50 C 1
   ATOM 870 O . LEU A 50 ? 23.83007 34.10447 18.00992 1.000 23.71228 O ? A ? 50 O 1
   ATOM 871 CB . LEU A 50 ? 20.75250 33.55260 17.99373 1.000 23.50319 C ? A ? 50 CB 1
   ATOM 872 CG . LEU A 50 ? 19.40659 32.96111 17.86644 1.000 24.94088 C ? A ? 50 CG 1
   ATOM 873 CD1 . LEU A 50 ? 18.49502 33.52816 18.95976 1.000 28.53945 C ? A ? 50 CD1 1
   ATOM 874 CD2 . LEU A 50 ? 18.83364 33.29512 16.52133 1.000 23.53373 C ? A ? 50 CD2 1
   ATOM 875 H . LEU A 50 ? 22.02923 31.50729 17.94623 1.000 19.09569 H ? A ? 50 H 1
   ATOM 876 HA . LEU A 50 ? 21.53950 33.27772 16.09225 1.000 19.77317 H ? A ? 50 HA 1
   ATOM 877 HB2 . LEU A 50 ? 21.07311 33.29067 18.87094 1.000 28.20719 H ? A ? 50 HB2 1
   ATOM 878 HB3 . LEU A 50 ? 20.62185 34.51322 17.96146 1.000 28.20719 H ? A ? 50 HB3 1
   ATOM 879 HG . LEU A 50 ? 19.46029 31.99707 17.95943 1.000 29.93242 H ? A ? 50 HG 1
   ATOM 880 HD11 . LEU A 50 ? 17.61083 33.14039 18.86626 1.000 34.25070 H ? A ? 50 HD11 1
   ATOM 881 HD12 . LEU A 50 ? 18.86495 33.30280 19.82766 1.000 34.25070 H ? A ? 50 HD12 1
   ATOM 882 HD13 . LEU A 50 ? 18.44565 34.49189 18.86135 1.000 34.25070 H ? A ? 50 HD13 1
   ATOM 883 HD21 . LEU A 50 ? 17.90111 33.02896 16.50034 1.000 28.24384 H ? A ? 50 HD21 1
   ATOM 884 HD22 . LEU A 50 ? 18.90814 34.25111 16.37488 1.000 28.24384 H ? A ? 50 HD22 1
   ATOM 885 HD23 . LEU A 50 ? 19.32972 32.81632 15.83902 1.000 28.24384 H ? A ? 50 HD23 1
   ATOM 886 N . GLY A 51 ? 22.88726 35.32287 16.40265 1.000 21.23014 N ? A ? 51 N 1
   ATOM 887 CA . GLY A 51 ? 23.76855 36.46997 16.56695 1.000 20.39224 C ? A ? 51 CA 1
   ATOM 888 C . GLY A 51 ? 25.06305 36.42912 15.78663 1.000 27.55567 C ? A ? 51 C 1
   ATOM 889 O . GLY A 51 ? 25.93721 37.30331 15.98629 1.000 23.89893 O ? A ? 51 O 1
   ATOM 890 H . GLY A 51 ? 22.33207 35.40789 15.75140 1.000 25.47953 H ? A ? 51 H 1
   ATOM 891 HA2 . GLY A 51 ? 23.28823 37.26659 16.29200 1.000 24.47405 H ? A ? 51 HA2 1
   ATOM 892 HA3 . GLY A 51 ? 23.99754 36.54772 17.50633 1.000 24.47405 H ? A ? 51 HA3 1
   ATOM 893 N . LYS A 52 ? 25.20627 35.47398 14.88584 1.000 21.77864 N ? A ? 52 N 1
   ATOM 894 CA . LYS A 52 ? 26.44139 35.33956 14.14054 1.000 23.61843 C ? A ? 52 CA 1
   ATOM 895 C . LYS A 52 ? 26.29004 35.27350 12.64105 1.000 25.47809 C ? A ? 52 C 1
   ATOM 896 O . LYS A 52 ? 27.17818 34.71810 12.02215 1.000 24.21000 O ? A ? 52 O 1
   ATOM 897 CB . LYS A 52 ? 27.16326 34.07985 14.61682 1.000 30.81926 C ? A ? 52 CB 1
   ATOM 898 CG . LYS A 52 ? 27.85944 34.34203 15.93905 1.000 40.40297 C ? A ? 52 CG 1
   ATOM 899 CD . LYS A 52 ? 28.05116 33.07719 16.66744 1.000 42.13976 C ? A ? 52 CD 1
   ATOM 900 CE . LYS A 52 ? 29.45270 32.48576 16.52495 1.000 61.26874 C ? A ? 52 CE 1
   ATOM 901 NZ . LYS A 52 ? 30.35984 32.69485 17.73653 1.000 58.70584 N ? A ? 52 NZ 1
   ATOM 902 H . LYS A 52 ? 24.60318 34.89320 14.68946 1.000 26.13773 H ? A ? 52 H 1
   ATOM 903 HA . LYS A 52 ? 26.95440 36.14561 14.30790 1.000 28.34547 H ? A ? 52 HA 1
   ATOM 904 HB2 . LYS A 52 ? 26.52071 33.36377 14.74034 1.000 36.98648 H ? A ? 52 HB2 1
   ATOM 905 HB3 . LYS A 52 ? 27.82891 33.81888 13.96130 1.000 36.98648 H ? A ? 52 HB3 1
   ATOM 906 HG2 . LYS A 52 ? 28.72796 34.74257 15.77740 1.000 48.48693 H ? A ? 52 HG2 1
   ATOM 907 HG3 . LYS A 52 ? 27.31673 34.93463 16.48236 1.000 48.48693 H ? A ? 52 HG3 1
   ATOM 908 HD2 . LYS A 52 ? 27.89219 33.23369 17.61144 1.000 50.57107 H ? A ? 52 HD2 1
   ATOM 909 HD3 . LYS A 52 ? 27.41981 32.42335 16.32863 1.000 50.57107 H ? A ? 52 HD3 1
   ATOM 910 HE2 . LYS A 52 ? 29.37151 31.52961 16.38319 1.000 73.52585 H ? A ? 52 HE2 1
   ATOM 911 HE3 . LYS A 52 ? 29.88605 32.89868 15.76167 1.000 73.52585 H ? A ? 52 HE3 1
   ATOM 912 HZ1 . LYS A 52 ? 31.16253 32.34372 17.58001 1.000 70.45037 H ? A ? 52 HZ1 1
   ATOM 913 HZ2 . LYS A 52 ? 30.45217 33.56460 17.90117 1.000 70.45037 H ? A ? 52 HZ2 1
   ATOM 914 HZ3 . LYS A 52 ? 30.00700 32.30121 18.45252 1.000 70.45037 H ? A ? 52 HZ3 1
   ATOM 915 N . GLN A 53 ? 25.27305 35.91420 12.02238 1.000 16.92448 N ? A ? 53 N 1
   ATOM 916 CA . GLN A 53 ? 24.99860 35.76733 10.58488 1.000 18.59867 C ? A ? 53 CA 1
   ATOM 917 C . GLN A 53 ? 25.18104 34.36027 10.04997 1.000 22.21708 C ? A ? 53 C 1
   ATOM 918 O . GLN A 53 ? 25.63823 34.15159 8.91514 1.000 21.80687 O ? A ? 53 O 1
   ATOM 919 CB . GLN A 53 ? 25.90368 36.68878 9.76370 1.000 23.36292 C ? A ? 53 CB 1
   ATOM 920 CG . GLN A 53 ? 25.59377 38.10597 10.01861 1.000 20.44258 C ? A ? 53 CG 1
   ATOM 921 CD . GLN A 53 ? 26.55223 39.10134 9.33564 1.000 22.87897 C ? A ? 53 CD 1
   ATOM 922 OE1 . GLN A 53 ? 27.74321 39.19118 9.68282 1.000 21.10699 O ? A ? 53 OE1 1
   ATOM 923 NE2 . GLN A 53 ? 26.01190 39.88131 8.36998 1.000 18.99801 N ? A ? 53 NE2 1
   ATOM 924 H . GLN A 53 ? 24.72551 36.44352 12.42192 1.000 20.31273 H ? A ? 53 H 1
   ATOM 925 HA . GLN A 53 ? 24.06382 36.00374 10.47914 1.000 22.32177 H ? A ? 53 HA 1
   ATOM 926 HB2 . GLN A 53 ? 26.82942 36.52886 10.00524 1.000 28.03887 H ? A ? 53 HB2 1
   ATOM 927 HB3 . GLN A 53 ? 25.77173 36.51088 8.81932 1.000 28.03887 H ? A ? 53 HB3 1
   ATOM 928 HG2 . GLN A 53 ? 24.69900 38.29067 9.69277 1.000 24.53446 H ? A ? 53 HG2 1
   ATOM 929 HG3 . GLN A 53 ? 25.63831 38.26555 10.97436 1.000 24.53446 H ? A ? 53 HG3 1
   ATOM 930 HE21 . GLN A 53 ? 25.17896 39.80367 8.17050 1.000 22.80098 H ? A ? 53 HE21 1
   ATOM 931 HE22 . GLN A 53 ? 26.50159 40.45441 7.95603 1.000 22.80098 H ? A ? 53 HE22 1
   ATOM 932 N . GLU A 54 ? 24.77777 33.39195 10.83137 1.000 12.86123 N ? A ? 54 N 1
   ATOM 933 CA . GLU A 54 ? 24.82079 31.99953 10.40854 1.000 15.61469 C ? A ? 54 CA 1
   ATOM 934 C . GLU A 54 ? 23.57888 31.57553 9.63943 1.000 16.65495 C ? A ? 54 C 1
   ATOM 935 O . GLU A 54 ? 23.54282 30.48968 9.05754 1.000 16.38832 O ? A ? 54 O 1
   ATOM 936 CB . GLU A 54 ? 24.93000 31.06174 11.59915 1.000 18.01075 C ? A ? 54 CB 1
   ATOM 937 CG . GLU A 54 ? 26.36952 30.64302 11.97592 1.000 35.92839 C ? A ? 54 CG 1
   ATOM 938 CD . GLU A 54 ? 26.40441 29.83171 13.28983 1.000 35.58803 C ? A ? 54 CD 1
   ATOM 939 OE1 . GLU A 54 ? 27.41391 29.95502 14.01213 1.000 48.00256 O ? A ? 54 OE1 1
   ATOM 940 OE2 . GLU A 54 ? 25.45330 29.09970 13.59925 1.000 28.55856 O ? A ? 54 OE2 1
   ATOM 941 H . GLU A 54 ? 24.46849 33.50754 11.62546 1.000 15.43684 H ? A ? 54 H 1
   ATOM 942 HA . GLU A 54 ? 25.61001 31.89857 9.85370 1.000 18.74099 H ? A ? 54 HA 1
   ATOM 943 HB2 . GLU A 54 ? 24.54414 31.50219 12.37246 1.000 21.61626 H ? A ? 54 HB2 1
   ATOM 944 HB3 . GLU A 54 ? 24.43561 30.25188 11.39760 1.000 21.61626 H ? A ? 54 HB3 1
   ATOM 945 HG2 . GLU A 54 ? 26.73795 30.09157 11.26806 1.000 43.11744 H ? A ? 54 HG2 1
   ATOM 946 HG3 . GLU A 54 ? 26.91315 31.43756 12.09452 1.000 43.11744 H ? A ? 54 HG3 1
   ATOM 947 N . VAL A 55 ? 22.52088 32.36611 9.69033 1.000 13.82013 N ? A ? 55 N 1
   ATOM 948 CA . VAL A 55 ? 21.28263 31.98770 9.04371 1.000 8.08684 C ? A ? 55 CA 1
   ATOM 949 C . VAL A 55 ? 20.66932 33.26150 8.44668 1.000 6.89875 C ? A ? 55 C 1
   ATOM 950 O . VAL A 55 ? 20.99439 34.37193 8.82656 1.000 10.17902 O ? A ? 55 O 1
   ATOM 951 CB . VAL A 55 ? 20.25170 31.31057 9.97208 1.000 10.75195 C ? A ? 55 CB 1
   ATOM 952 CG1 . VAL A 55 ? 20.69426 29.93277 10.25053 1.000 16.14595 C ? A ? 55 CG1 1
   ATOM 953 CG2 . VAL A 55 ? 20.06087 32.10382 11.21767 1.000 14.07751 C ? A ? 55 CG2 1
   ATOM 954 H . VAL A 55 ? 22.49796 33.12542 10.09347 1.000 16.58752 H ? A ? 55 H 1
   ATOM 955 HA . VAL A 55 ? 21.49003 31.34743 8.34518 1.000 9.70757 H ? A ? 55 HA 1
   ATOM 956 HB . VAL A 55 ? 19.38393 31.27007 9.54052 1.000 12.90570 H ? A ? 55 HB 1
   ATOM 957 HG11 . VAL A 55 ? 19.99875 29.47150 10.74490 1.000 19.37850 H ? A ? 55 HG11 1
   ATOM 958 HG12 . VAL A 55 ? 20.85948 29.47814 9.40975 1.000 19.37850 H ? A ? 55 HG12 1
   ATOM 959 HG13 . VAL A 55 ? 21.50907 29.96291 10.77596 1.000 19.37850 H ? A ? 55 HG13 1
   ATOM 960 HG21 . VAL A 55 ? 19.42499 31.64590 11.78939 1.000 16.89638 H ? A ? 55 HG21 1
   ATOM 961 HG22 . VAL A 55 ? 20.91361 32.18793 11.67226 1.000 16.89638 H ? A ? 55 HG22 1
   ATOM 962 HG23 . VAL A 55 ? 19.72259 32.98235 10.98387 1.000 16.89638 H ? A ? 55 HG23 1
   ATOM 963 N . ILE A 56 ? 19.81095 33.08248 7.47382 1.000 8.06105 N ? A ? 56 N 1
   ATOM 964 CA . ILE A 56 ? 19.08299 34.23028 6.93811 1.000 5.83120 C ? A ? 56 CA 1
   ATOM 965 C . ILE A 56 ? 18.31352 34.92483 8.07123 1.000 9.58641 C ? A ? 56 C 1
   ATOM 966 O . ILE A 56 ? 17.85618 34.30776 9.02084 1.000 6.99223 O ? A ? 56 O 1
   ATOM 967 CB . ILE A 56 ? 18.09493 33.85898 5.82577 1.000 8.29256 C ? A ? 56 CB 1
   ATOM 968 CG1 . ILE A 56 ? 17.15176 32.68120 6.25877 1.000 6.96476 C ? A ? 56 CG1 1
   ATOM 969 CG2 . ILE A 56 ? 18.81313 33.42280 4.64325 1.000 12.53088 C ? A ? 56 CG2 1
   ATOM 970 CD1 . ILE A 56 ? 15.97846 32.33929 5.22843 1.000 8.62717 C ? A ? 56 CD1 1
   ATOM 971 H . ILE A 56 ? 19.62684 32.32742 7.10560 1.000 9.67662 H ? A ? 56 H 1
   ATOM 972 HA . ILE A 56 ? 19.74754 34.82503 6.55661 1.000 7.00081 H ? A ? 56 HA 1
   ATOM 973 HB . ILE A 56 ? 17.56770 34.65309 5.64599 1.000 9.95444 H ? A ? 56 HB 1
   ATOM 974 HG12 . ILE A 56 ? 17.68908 31.88040 6.36322 1.000 8.36108 H ? A ? 56 HG12 1
   ATOM 975 HG13 . ILE A 56 ? 16.73712 32.91506 7.10393 1.000 8.36108 H ? A ? 56 HG13 1
   ATOM 976 HG21 . ILE A 56 ? 18.17493 33.23674 3.93686 1.000 15.04042 H ? A ? 56 HG21 1
   ATOM 977 HG22 . ILE A 56 ? 19.41934 34.12681 4.36434 1.000 15.04042 H ? A ? 56 HG22 1
   ATOM 978 HG23 . ILE A 56 ? 19.31416 32.62000 4.85626 1.000 15.04042 H ? A ? 56 HG23 1
   ATOM 979 HD11 . ILE A 56 ? 15.32664 31.77193 5.66903 1.000 10.35597 H ? A ? 56 HD11 1
   ATOM 980 HD12 . ILE A 56 ? 15.55834 33.16559 4.94271 1.000 10.35597 H ? A ? 56 HD12 1
   ATOM 981 HD13 . ILE A 56 ? 16.35500 31.87772 4.46288 1.000 10.35597 H ? A ? 56 HD13 1
   ATOM 982 N . ARG A 57 ? 18.15977 36.23080 7.92713 1.000 7.80343 N ? A ? 57 N 1
   ATOM 983 CA . ARG A 57 ? 17.59948 37.05592 8.98624 1.000 9.97028 C ? A ? 57 CA 1
   ATOM 984 C . ARG A 57 ? 16.20792 36.63648 9.37976 1.000 7.45029 C ? A ? 57 C 1
   ATOM 985 O . ARG A 57 ? 15.81868 36.77864 10.54470 1.000 9.13982 O ? A ? 57 O 1
   ATOM 986 CB . ARG A 57 ? 17.64439 38.50130 8.49627 1.000 8.47763 C ? A ? 57 CB 1
   ATOM 987 CG . ARG A 57 ? 17.35371 39.50264 9.56897 1.000 13.99152 C ? A ? 57 CG 1
   ATOM 988 CD . ARG A 57 ? 18.55124 39.59758 10.68119 1.000 22.62967 C ? A ? 57 CD 1
   ATOM 989 NE . ARG A 57 ? 19.89633 39.20210 10.15413 1.000 39.59656 N ? A ? 57 NE 1
   ATOM 990 CZ . ARG A 57 ? 21.18068 39.26361 10.63765 1.000 41.30002 C ? A ? 57 CZ 1
   ATOM 991 NH1 . ARG A 57 ? 21.47003 39.37397 12.01465 1.000 43.39122 N ? A ? 57 NH1 1
   ATOM 992 NH2 . ARG A 57 ? 22.18482 39.11318 9.71951 1.000 31.05928 N ? A ? 57 NH2 1
   ATOM 993 H . ARG A 57 ? 18.37332 36.67069 7.21967 1.000 9.36748 H ? A ? 57 H 1
   ATOM 994 HA . ARG A 57 ? 18.12413 36.97263 9.79785 1.000 11.96770 H ? A ? 57 HA 1
   ATOM 995 HB2 . ARG A 57 ? 18.53082 38.68657 8.14867 1.000 10.17652 H ? A ? 57 HB2 1
   ATOM 996 HB3 . ARG A 57 ? 16.98295 38.61510 7.79595 1.000 10.17652 H ? A ? 57 HB3 1
   ATOM 997 HG2 . ARG A 57 ? 17.24860 40.37839 9.16536 1.000 16.79319 H ? A ? 57 HG2 1
   ATOM 998 HG3 . ARG A 57 ? 16.53753 39.24849 10.02740 1.000 16.79319 H ? A ? 57 HG3 1
   ATOM 999 HD2 . ARG A 57 ? 18.61432 40.51320 10.99512 1.000 27.15897 H ? A ? 57 HD2 1
   ATOM 1000 HD3 . ARG A 57 ? 18.33834 39.00720 11.42081 1.000 27.15897 H ? A ? 57 HD3 1
   ATOM 1001 HE . ARG A 57 ? 19.85508 38.85699 9.36749 1.000 47.51923 H ? A ? 57 HE 1
   ATOM 1002 HH11 . ARG A 57 ? 20.82936 39.40524 12.58750 1.000 52.07283 H ? A ? 57 HH11 1
   ATOM 1003 HH12 . ARG A 57 ? 22.28701 39.40994 12.28084 1.000 52.07283 H ? A ? 57 HH12 1
   ATOM 1004 HH21 . ARG A 57 ? 21.99411 38.98805 8.89031 1.000 37.27450 H ? A ? 57 HH21 1
   ATOM 1005 HH22 . ARG A 57 ? 23.00638 39.14381 9.97190 1.000 37.27450 H ? A ? 57 HH22 1
   ATOM 1006 N . GLY A 58 ? 15.41363 36.11925 8.45752 1.000 6.44115 N ? A ? 58 N 1
   ATOM 1007 CA . GLY A 58 ? 14.06982 35.73133 8.79725 1.000 5.92880 C ? A ? 58 CA 1
   ATOM 1008 C . GLY A 58 ? 14.06520 34.60072 9.78446 1.000 8.09367 C ? A ? 58 C 1
   ATOM 1009 O . GLY A 58 ? 13.20755 34.54991 10.67720 1.000 10.16675 O ? A ? 58 O 1
   ATOM 1010 H . GLY A 58 ? 15.63102 35.98553 7.63626 1.000 7.73274 H ? A ? 58 H 1
   ATOM 1011 HA2 . GLY A 58 ? 13.60163 36.48631 9.18675 1.000 7.11792 H ? A ? 58 HA2 1
   ATOM 1012 HA3 . GLY A 58 ? 13.60073 35.44751 7.99706 1.000 7.11792 H ? A ? 58 HA3 1
   ATOM 1013 N . TRP A 59 ? 15.09933 33.76144 9.75246 1.000 7.00385 N ? A ? 59 N 1
   ATOM 1014 CA . TRP A 59 ? 15.23753 32.72331 10.77333 1.000 9.35136 C ? A ? 59 CA 1
   ATOM 1015 C . TRP A 59 ? 15.72846 33.28516 12.09993 1.000 10.00931 C ? A ? 59 C 1
   ATOM 1016 O . TRP A 59 ? 15.24460 32.90617 13.16734 1.000 12.52056 O ? A ? 59 O 1
   ATOM 1017 CB . TRP A 59 ? 16.24781 31.62763 10.34868 1.000 10.35297 C ? A ? 59 CB 1
   ATOM 1018 CG . TRP A 59 ? 15.66572 30.45901 9.74302 1.000 9.13842 C ? A ? 59 CG 1
   ATOM 1019 CD1 . TRP A 59 ? 14.86382 30.44803 8.54713 1.000 10.59821 C ? A ? 59 CD1 1
   ATOM 1020 CD2 . TRP A 59 ? 15.83755 29.09939 10.09421 1.000 6.30768 C ? A ? 59 CD2 1
   ATOM 1021 NE1 . TRP A 59 ? 14.51047 29.18278 8.23322 1.000 11.32762 N ? A ? 59 NE1 1
   ATOM 1022 CE2 . TRP A 59 ? 15.05919 28.32355 9.16672 1.000 8.06753 C ? A ? 59 CE2 1
   ATOM 1023 CE3 . TRP A 59 ? 16.54892 28.43450 11.12449 1.000 8.24339 C ? A ? 59 CE3 1
   ATOM 1024 CZ2 . TRP A 59 ? 15.07301 26.95854 9.17847 1.000 8.73557 C ? A ? 59 CZ2 1
   ATOM 1025 CZ3 . TRP A 59 ? 16.50112 27.13644 11.16840 1.000 9.38259 C ? A ? 59 CZ3 1
   ATOM 1026 CH2 . TRP A 59 ? 15.76541 26.37961 10.21534 1.000 8.63129 C ? A ? 59 CH2 1
   ATOM 1027 H . TRP A 59 ? 15.72420 33.77049 9.16166 1.000 8.40798 H ? A ? 59 H 1
   ATOM 1028 HA . TRP A 59 ? 14.35470 32.33394 10.87286 1.000 11.22499 H ? A ? 59 HA 1
   ATOM 1029 HB2 . TRP A 59 ? 16.86348 32.01155 9.70489 1.000 12.42693 H ? A ? 59 HB2 1
   ATOM 1030 HB3 . TRP A 59 ? 16.73170 31.33506 11.13681 1.000 12.42693 H ? A ? 59 HB3 1
   ATOM 1031 HD1 . TRP A 59 ? 14.62372 31.20351 8.06081 1.000 12.72122 H ? A ? 59 HD1 1
   ATOM 1032 HE1 . TRP A 59 ? 14.02428 28.95010 7.56309 1.000 13.59651 H ? A ? 59 HE1 1
   ATOM 1033 HE3 . TRP A 59 ? 17.03752 28.91506 11.75316 1.000 9.89543 H ? A ? 59 HE3 1
   ATOM 1034 HZ2 . TRP A 59 ? 14.64208 26.45322 8.52742 1.000 10.48605 H ? A ? 59 HZ2 1
   ATOM 1035 HZ3 . TRP A 59 ? 16.96105 26.68989 11.84216 1.000 11.26247 H ? A ? 59 HZ3 1
   ATOM 1036 HH2 . TRP A 59 ? 15.75215 25.45330 10.29705 1.000 10.36091 H ? A ? 59 HH2 1
   ATOM 1037 N . GLU A 60 ? 16.71582 34.14987 12.06346 1.000 11.77708 N ? A ? 60 N 1
   ATOM 1038 CA . GLU A 60 ? 17.23524 34.81525 13.26475 1.000 19.27063 C ? A ? 60 CA 1
   ATOM 1039 C . GLU A 60 ? 16.09352 35.47291 14.04494 1.000 17.70913 C ? A ? 60 C 1
   ATOM 1040 O . GLU A 60 ? 15.97489 35.29467 15.27327 1.000 17.13688 O ? A ? 60 O 1
   ATOM 1041 CB . GLU A 60 ? 18.26462 35.81026 12.75873 1.000 22.04766 C ? A ? 60 CB 1
   ATOM 1042 CG . GLU A 60 ? 19.08640 36.57215 13.62925 1.000 30.32961 C ? A ? 60 CG 1
   ATOM 1043 CD . GLU A 60 ? 20.39553 35.83618 13.95428 1.000 26.41329 C ? A ? 60 CD 1
   ATOM 1044 OE1 . GLU A 60 ? 21.06449 35.25851 13.10119 1.000 22.36442 O ? A ? 60 OE1 1
   ATOM 1045 OE2 . GLU A 60 ? 20.73185 35.89205 15.12811 1.000 32.31945 O ? A ? 60 OE2 1
   ATOM 1046 H . GLU A 60 ? 17.12289 34.38474 11.34322 1.000 14.13586 H ? A ? 60 H 1
   ATOM 1047 HA . GLU A 60 ? 17.65786 34.20551 13.88965 1.000 23.12812 H ? A ? 60 HA 1
   ATOM 1048 HB2 . GLU A 60 ? 18.87831 35.31167 12.19686 1.000 26.46055 H ? A ? 60 HB2 1
   ATOM 1049 HB3 . GLU A 60 ? 17.78150 36.46127 12.22612 1.000 26.46055 H ? A ? 60 HB3 1
   ATOM 1050 HG2 . GLU A 60 ? 19.30765 37.41600 13.20515 1.000 36.39889 H ? A ? 60 HG2 1
   ATOM 1051 HG3 . GLU A 60 ? 18.61196 36.73267 14.45994 1.000 36.39889 H ? A ? 60 HG3 1
   ATOM 1052 N . GLU A 61 ? 15.19254 36.17036 13.33922 1.000 10.44916 N ? A ? 61 N 1
   ATOM 1053 CA . GLU A 61 ? 14.09588 36.80905 14.05133 1.000 10.64879 C ? A ? 61 CA 1
   ATOM 1054 C . GLU A 61 ? 12.90416 35.87558 14.29118 1.000 11.18981 C ? A ? 61 C 1
   ATOM 1055 O . GLU A 61 ? 12.18486 36.08749 15.26251 1.000 14.97527 O ? A ? 61 O 1
   ATOM 1056 CB . GLU A 61 ? 13.63495 38.03168 13.30518 1.000 13.50648 C ? A ? 61 CB 1
   ATOM 1057 CG . GLU A 61 ? 14.81417 39.04822 13.30018 1.000 25.85384 C ? A ? 61 CG 1
   ATOM 1058 CD . GLU A 61 ? 14.49647 40.32432 12.60959 1.000 34.83036 C ? A ? 61 CD 1
   ATOM 1059 OE1 . GLU A 61 ? 15.54586 40.96758 12.31698 1.000 38.45412 O ? A ? 61 OE1 1
   ATOM 1060 OE2 . GLU A 61 ? 13.27355 40.63297 12.34040 1.000 32.82167 O ? A ? 61 OE2 1
   ATOM 1061 H . GLU A 61 ? 15.20043 36.27923 12.48617 1.000 12.54236 H ? A ? 61 H 1
   ATOM 1062 HA . GLU A 61 ? 14.42070 37.09337 14.91998 1.000 12.78191 H ? A ? 61 HA 1
   ATOM 1063 HB2 . GLU A 61 ? 13.40462 37.80061 12.39169 1.000 16.21114 H ? A ? 61 HB2 1
   ATOM 1064 HB3 . GLU A 61 ? 12.86956 38.42797 13.75020 1.000 16.21114 H ? A ? 61 HB3 1
   ATOM 1065 HG2 . GLU A 61 ? 15.04995 39.25834 14.21733 1.000 31.02797 H ? A ? 61 HG2 1
   ATOM 1066 HG3 . GLU A 61 ? 15.57163 38.64643 12.84662 1.000 31.02797 H ? A ? 61 HG3 1
   ATOM 1067 N . GLY A 62 ? 12.69864 34.87239 13.45696 1.000 7.85293 N ? A ? 62 N 1
   ATOM 1068 CA . GLY A 62 ? 11.59999 33.95240 13.65541 1.000 11.83877 C ? A ? 62 CA 1
   ATOM 1069 C . GLY A 62 ? 11.84195 32.95849 14.78701 1.000 10.61112 C ? A ? 62 C 1
   ATOM 1070 O . GLY A 62 ? 10.94910 32.74999 15.60416 1.000 8.29563 O ? A ? 62 O 1
   ATOM 1071 H . GLY A 62 ? 13.18336 34.70361 12.76691 1.000 9.42688 H ? A ? 62 H 1
   ATOM 1072 HA2 . GLY A 62 ? 10.79758 34.45646 13.86271 1.000 14.20989 H ? A ? 62 HA2 1
   ATOM 1073 HA3 . GLY A 62 ? 11.45517 33.45019 12.83827 1.000 14.20989 H ? A ? 62 HA3 1
   ATOM 1074 N . VAL A 63 ? 12.99077 32.27994 14.78879 1.000 8.25119 N ? A ? 63 N 1
   ATOM 1075 CA . VAL A 63 ? 13.26044 31.26595 15.81347 1.000 8.95307 C ? A ? 63 CA 1
   ATOM 1076 C . VAL A 63 ? 13.41420 31.92460 17.15265 1.000 11.15575 C ? A ? 63 C 1
   ATOM 1077 O . VAL A 63 ? 13.06170 31.32653 18.15707 1.000 10.51411 O ? A ? 63 O 1
   ATOM 1078 CB . VAL A 63 ? 14.48547 30.44543 15.41689 1.000 12.64155 C ? A ? 63 CB 1
   ATOM 1079 CG1 . VAL A 63 ? 14.78316 29.35795 16.37830 1.000 15.98755 C ? A ? 63 CG1 1
   ATOM 1080 CG2 . VAL A 63 ? 14.20975 29.73291 14.16166 1.000 10.89166 C ? A ? 63 CG2 1
   ATOM 1081 H . VAL A 63 ? 13.62394 32.38452 14.21628 1.000 9.90479 H ? A ? 63 H 1
   ATOM 1082 HA . VAL A 63 ? 12.51175 30.65231 15.87524 1.000 10.74704 H ? A ? 63 HA 1
   ATOM 1083 HB . VAL A 63 ? 15.22239 31.07403 15.36482 1.000 15.17323 H ? A ? 63 HB 1
   ATOM 1084 HG11 . VAL A 63 ? 15.48238 28.79464 16.01134 1.000 19.18843 H ? A ? 63 HG11 1
   ATOM 1085 HG12 . VAL A 63 ? 15.07849 29.74869 17.21556 1.000 19.18843 H ? A ? 63 HG12 1
   ATOM 1086 HG13 . VAL A 63 ? 13.97894 28.83519 16.52273 1.000 19.18843 H ? A ? 63 HG13 1
   ATOM 1087 HG21 . VAL A 63 ? 14.98854 29.20813 13.91879 1.000 13.07336 H ? A ? 63 HG21 1
   ATOM 1088 HG22 . VAL A 63 ? 13.44525 29.15002 14.29076 1.000 13.07336 H ? A ? 63 HG22 1
   ATOM 1089 HG23 . VAL A 63 ? 14.01771 30.38121 13.46615 1.000 13.07336 H ? A ? 63 HG23 1
   ATOM 1090 N . ALA A 64 ? 13.85207 33.19890 17.22355 1.000 7.75631 N ? A ? 64 N 1
   ATOM 1091 CA . ALA A 64 ? 13.90323 33.84268 18.51817 1.000 11.08652 C ? A ? 64 CA 1
   ATOM 1092 C . ALA A 64 ? 12.56513 33.95721 19.20979 1.000 11.60050 C ? A ? 64 C 1
   ATOM 1093 O . ALA A 64 ? 12.57404 34.14214 20.44335 1.000 15.41111 O ? A ? 64 O 1
   ATOM 1094 CB . ALA A 64 ? 14.58166 35.24877 18.40865 1.000 15.42438 C ? A ? 64 CB 1
   ATOM 1095 H . ALA A 64 ? 14.11024 33.67794 16.55762 1.000 9.31094 H ? A ? 64 H 1
   ATOM 1096 HA . ALA A 64 ? 14.45631 33.28594 19.08829 1.000 13.30719 H ? A ? 64 HA 1
   ATOM 1097 HB1 . ALA A 64 ? 14.59537 35.66200 19.28612 1.000 18.51262 H ? A ? 64 HB1 1
   ATOM 1098 HB2 . ALA A 64 ? 15.48793 35.13750 18.08124 1.000 18.51262 H ? A ? 64 HB2 1
   ATOM 1099 HB3 . ALA A 64 ? 14.07237 35.79799 17.79230 1.000 18.51262 H ? A ? 64 HB3 1
   ATOM 1100 N . GLN A 65 ? 11.42473 33.94310 18.49945 1.000 9.18629 N ? A ? 65 N 1
   ATOM 1101 CA . GLN A 65 ? 10.08246 34.04733 19.02964 1.000 8.81058 C ? A ? 65 CA 1
   ATOM 1102 C . GLN A 65 ? 9.47004 32.70083 19.35109 1.000 10.40848 C ? A ? 65 C 1
   ATOM 1103 O . GLN A 65 ? 8.25289 32.65166 19.61878 1.000 13.02161 O ? A ? 65 O 1
   ATOM 1104 CB . GLN A 65 ? 9.16711 34.77342 18.01979 1.000 13.72803 C ? A ? 65 CB 1
   ATOM 1105 CG . GLN A 65 ? 9.65122 36.13914 17.71302 1.000 15.44929 C ? A ? 65 CG 1
   ATOM 1106 CD . GLN A 65 ? 8.76288 36.80326 16.65555 1.000 24.62830 C ? A ? 65 CD 1
   ATOM 1107 OE1 . GLN A 65 ? 7.56146 36.92742 16.83381 1.000 25.40876 O ? A ? 65 OE1 1
   ATOM 1108 NE2 . GLN A 65 ? 9.35178 37.12054 15.51335 1.000 15.52699 N ? A ? 65 NE2 1
   ATOM 1109 H . GLN A 65 ? 11.41636 33.86771 17.64280 1.000 11.02691 H ? A ? 65 H 1
   ATOM 1110 HA . GLN A 65 ? 10.12495 34.56973 19.84584 1.000 10.57606 H ? A ? 65 HA 1
   ATOM 1111 HB2 . GLN A 65 ? 9.14141 34.26765 17.19249 1.000 16.47699 H ? A ? 65 HB2 1
   ATOM 1112 HB3 . GLN A 65 ? 8.27461 34.84457 18.39300 1.000 16.47699 H ? A ? 65 HB3 1
   ATOM 1113 HG2 . GLN A 65 ? 9.62899 36.67936 18.51836 1.000 18.54251 H ? A ? 65 HG2 1
   ATOM 1114 HG3 . GLN A 65 ? 10.55728 36.09232 17.36985 1.000 18.54251 H ? A ? 65 HG3 1
   ATOM 1115 HE21 . GLN A 65 ? 10.18725 36.95173 15.39890 1.000 18.63575 H ? A ? 65 HE21 1
   ATOM 1116 HE22 . GLN A 65 ? 8.89893 37.49550 14.88571 1.000 18.63575 H ? A ? 65 HE22 1
   ATOM 1117 N . MET A 66 ? 10.24602 31.61432 19.28887 1.000 7.38330 N ? A ? 66 N 1
   ATOM 1118 CA . MET A 66 ? 9.76370 30.26417 19.55493 1.000 6.75799 C ? A ? 66 CA 1
   ATOM 1119 C . MET A 66 ? 10.31857 29.79633 20.89808 1.000 8.79802 C ? A ? 66 C 1
   ATOM 1120 O . MET A 66 ? 11.43937 30.09066 21.22636 1.000 8.30145 O ? A ? 66 O 1
   ATOM 1121 CB . MET A 66 ? 10.20025 29.29598 18.47616 1.000 9.52496 C ? A ? 66 CB 1
   ATOM 1122 CG . MET A 66 ? 9.46138 29.54662 17.17029 1.000 8.40197 C ? A ? 66 CG 1
   ATOM 1123 SD . MET A 66 ? 10.22630 28.56868 15.75890 1.000 11.34245 S ? A ? 66 SD 1
   ATOM 1124 CE . MET A 66 ? 9.64318 26.92090 16.28183 1.000 7.97373 C ? A ? 66 CE 1
   ATOM 1125 H . MET A 66 ? 11.08178 31.63939 19.08767 1.000 8.86332 H ? A ? 66 H 1
   ATOM 1126 HA . MET A 66 ? 8.79387 30.26725 19.57294 1.000 8.11295 H ? A ? 66 HA 1
   ATOM 1127 HB2 . MET A 66 ? 11.15078 29.40293 18.31503 1.000 11.43331 H ? A ? 66 HB2 1
   ATOM 1128 HB3 . MET A 66 ? 10.01261 28.38901 18.76442 1.000 11.43331 H ? A ? 66 HB3 1
   ATOM 1129 HG2 . MET A 66 ? 8.53565 29.27331 17.26637 1.000 10.08573 H ? A ? 66 HG2 1
   ATOM 1130 HG3 . MET A 66 ? 9.50758 30.49014 16.94998 1.000 10.08573 H ? A ? 66 HG3 1
   ATOM 1131 HE1 . MET A 66 ? 9.93531 26.26188 15.63279 1.000 9.57184 H ? A ? 66 HE1 1
   ATOM 1132 HE2 . MET A 66 ? 10.01694 26.71545 17.15303 1.000 9.57184 H ? A ? 66 HE2 1
   ATOM 1133 HE3 . MET A 66 ? 8.67447 26.92971 16.33121 1.000 9.57184 H ? A ? 66 HE3 1
   ATOM 1134 N . SER A 67 ? 9.57747 28.96536 21.58675 1.000 7.81187 N ? A ? 67 N 1
   ATOM 1135 CA . SER A 67 ? 10.08357 28.33963 22.78279 1.000 7.37268 C ? A ? 67 CA 1
   ATOM 1136 C . SER A 67 ? 10.29401 26.86208 22.54494 1.000 9.53985 C ? A ? 67 C 1
   ATOM 1137 O . SER A 67 ? 9.80291 26.25449 21.58980 1.000 7.76199 O ? A ? 67 O 1
   ATOM 1138 CB . SER A 67 ? 9.12651 28.53690 23.93241 1.000 8.96737 C ? A ? 67 CB 1
   ATOM 1139 OG . SER A 67 ? 7.81025 28.04318 23.63988 1.000 8.46532 O ? A ? 67 OG 1
   ATOM 1140 H . SER A 67 ? 8.77193 28.74563 21.38078 1.000 9.37761 H ? A ? 67 H 1
   ATOM 1141 HA . SER A 67 ? 10.93627 28.73650 23.02007 1.000 8.85058 H ? A ? 67 HA 1
   ATOM 1142 HB2 . SER A 67 ? 9.47001 28.06289 24.70585 1.000 10.76420 H ? A ? 67 HB2 1
   ATOM 1143 HB3 . SER A 67 ? 9.06545 29.48565 24.12490 1.000 10.76420 H ? A ? 67 HB3 1
   ATOM 1144 HG . SER A 67 ? 7.32159 28.67060 23.36942 1.000 10.16175 H ? A ? 67 HG 1
   ATOM 1145 N . VAL A 68 ? 11.08550 26.27690 23.41592 1.000 7.14280 N ? A ? 68 N 1
   ATOM 1146 CA . VAL A 68 ? 11.47515 24.87902 23.20484 1.000 8.82263 C ? A ? 68 CA 1
   ATOM 1147 C . VAL A 68 ? 10.28396 23.94042 23.08801 1.000 10.04187 C ? A ? 68 C 1
   ATOM 1148 O . VAL A 68 ? 9.38777 23.93888 23.93705 1.000 11.89635 O ? A ? 68 O 1
   ATOM 1149 CB . VAL A 68 ? 12.45705 24.44281 24.31416 1.000 12.46268 C ? A ? 68 CB 1
   ATOM 1150 CG1 . VAL A 68 ? 12.74832 22.88847 24.20039 1.000 14.52354 C ? A ? 68 CG1 1
   ATOM 1151 CG2 . VAL A 68 ? 13.70845 25.15832 24.16435 1.000 16.24359 C ? A ? 68 CG2 1
   ATOM 1152 H . VAL A 68 ? 11.40844 26.64655 24.12209 1.000 8.57473 H ? A ? 68 H 1
   ATOM 1153 HA . VAL A 68 ? 11.91711 24.83021 22.34275 1.000 10.59052 H ? A ? 68 HA 1
   ATOM 1154 HB . VAL A 68 ? 12.06489 24.63770 25.17969 1.000 14.95858 H ? A ? 68 HB 1
   ATOM 1155 HG11 . VAL A 68 ? 13.49986 22.66536 24.77162 1.000 17.43161 H ? A ? 68 HG11 1
   ATOM 1156 HG12 . VAL A 68 ? 11.96072 22.39804 24.48335 1.000 17.43161 H ? A ? 68 HG12 1
   ATOM 1157 HG13 . VAL A 68 ? 12.95842 22.67321 23.27820 1.000 17.43161 H ? A ? 68 HG13 1
   ATOM 1158 HG21 . VAL A 68 ? 14.33859 24.83462 24.82696 1.000 19.49567 H ? A ? 68 HG21 1
   ATOM 1159 HG22 . VAL A 68 ? 14.05673 25.00213 23.27261 1.000 19.49567 H ? A ? 68 HG22 1
   ATOM 1160 HG23 . VAL A 68 ? 13.54808 26.10593 24.29555 1.000 19.49567 H ? A ? 68 HG23 1
   ATOM 1161 N . GLY A 69 ? 10.31263 23.05254 22.06010 1.000 9.14553 N ? A ? 69 N 1
   ATOM 1162 CA . GLY A 69 ? 9.25871 22.13915 21.71923 1.000 11.45593 C ? A ? 69 CA 1
   ATOM 1163 C . GLY A 69 ? 8.24971 22.66234 20.74832 1.000 12.06511 C ? A ? 69 C 1
   ATOM 1164 O . GLY A 69 ? 7.40259 21.89047 20.24946 1.000 11.13075 O ? A ? 69 O 1
   ATOM 1165 H . GLY A 69 ? 10.98478 22.97643 21.52905 1.000 10.97800 H ? A ? 69 H 1
   ATOM 1166 HA2 . GLY A 69 ? 9.65373 21.34234 21.33199 1.000 13.75048 H ? A ? 69 HA2 1
   ATOM 1167 HA3 . GLY A 69 ? 8.78682 21.89522 22.53085 1.000 13.75048 H ? A ? 69 HA3 1
   ATOM 1168 N . GLN A 70 ? 8.30556 23.92497 20.43201 1.000 6.22272 N ? A ? 70 N 1
   ATOM 1169 CA . GLN A 70 ? 7.30283 24.51373 19.55536 1.000 9.09258 C ? A ? 70 CA 1
   ATOM 1170 C . GLN A 70 ? 7.55696 24.07086 18.11161 1.000 6.12232 C ? A ? 70 C 1
   ATOM 1171 O . GLN A 70 ? 8.70674 23.87394 17.70998 1.000 8.65188 O ? A ? 70 O 1
   ATOM 1172 CB . GLN A 70 ? 7.38249 26.02517 19.65261 1.000 7.29153 C ? A ? 70 CB 1
   ATOM 1173 CG . GLN A 70 ? 6.32020 26.86380 18.85685 1.000 6.07703 C ? A ? 70 CG 1
   ATOM 1174 CD . GLN A 70 ? 6.40764 28.28788 19.25711 1.000 11.59126 C ? A ? 70 CD 1
   ATOM 1175 OE1 . GLN A 70 ? 7.10671 28.61162 20.17799 1.000 13.28425 O ? A ? 70 OE1 1
   ATOM 1176 NE2 . GLN A 70 ? 5.67324 29.15740 18.60384 1.000 12.51491 N ? A ? 70 NE2 1
   ATOM 1177 H . GLN A 70 ? 8.90895 24.47360 20.70501 1.000 7.47063 H ? A ? 70 H 1
   ATOM 1178 HA . GLN A 70 ? 6.41246 24.22954 19.81491 1.000 10.91446 H ? A ? 70 HA 1
   ATOM 1179 HB2 . GLN A 70 ? 7.28679 26.26765 20.58692 1.000 8.75320 H ? A ? 70 HB2 1
   ATOM 1180 HB3 . GLN A 70 ? 8.25452 26.29773 19.32676 1.000 8.75320 H ? A ? 70 HB3 1
   ATOM 1181 HG2 . GLN A 70 ? 6.49424 26.79501 17.90507 1.000 7.29581 H ? A ? 70 HG2 1
   ATOM 1182 HG3 . GLN A 70 ? 5.42877 26.53706 19.05557 1.000 7.29581 H ? A ? 70 HG3 1
   ATOM 1183 HE21 . GLN A 70 ? 5.16135 28.89402 17.96494 1.000 15.02125 H ? A ? 70 HE21 1
   ATOM 1184 HE22 . GLN A 70 ? 5.70387 29.99060 18.81463 1.000 15.02125 H ? A ? 70 HE22 1
   ATOM 1185 N . ARG A 71 ? 6.49931 23.89465 17.38387 1.000 5.45047 N ? A ? 71 N 1
   ATOM 1186 CA . ARG A 71 ? 6.57230 23.72851 15.96759 1.000 6.22879 C ? A ? 71 CA 1
   ATOM 1187 C . ARG A 71 ? 5.80068 24.86364 15.33152 1.000 6.26111 C ? A ? 71 C 1
   ATOM 1188 O . ARG A 71 ? 4.65107 25.09925 15.67325 1.000 5.54469 O ? A ? 71 O 1
   ATOM 1189 CB . ARG A 71 ? 6.01958 22.37488 15.55318 1.000 6.03994 C ? A ? 71 CB 1
   ATOM 1190 CG . ARG A 71 ? 6.19989 22.02627 14.08292 1.000 13.76945 C ? A ? 71 CG 1
   ATOM 1191 CD . ARG A 71 ? 5.73374 20.56002 13.81833 1.000 18.25617 C ? A ? 71 CD 1
   ATOM 1192 NE . ARG A 71 ? 5.96197 20.26880 12.39890 1.000 19.69977 N ? A ? 71 NE 1
   ATOM 1193 CZ . ARG A 71 ? 6.05499 19.04232 11.89011 1.000 35.36349 C ? A ? 71 CZ 1
   ATOM 1194 NH1 . ARG A 71 ? 5.87239 17.96172 12.64051 1.000 34.84095 N ? A ? 71 NH1 1
   ATOM 1195 NH2 . ARG A 71 ? 6.32682 18.89149 10.59101 1.000 32.31632 N ? A ? 71 NH2 1
   ATOM 1196 H . ARG A 71 ? 5.69895 23.86638 17.69727 1.000 6.54393 H ? A ? 71 H 1
   ATOM 1197 HA . ARG A 71 ? 7.49006 23.76885 15.65616 1.000 7.47792 H ? A ? 71 HA 1
   ATOM 1198 HB2 . ARG A 71 ? 6.46855 21.68877 16.07142 1.000 7.25129 H ? A ? 71 HB2 1
   ATOM 1199 HB3 . ARG A 71 ? 5.06782 22.36220 15.73997 1.000 7.25129 H ? A ? 71 HB3 1
   ATOM 1200 HG2 . ARG A 71 ? 5.66640 22.62518 13.53739 1.000 16.52671 H ? A ? 71 HG2 1
   ATOM 1201 HG3 . ARG A 71 ? 7.13621 22.10304 13.84145 1.000 16.52671 H ? A ? 71 HG3 1
   ATOM 1202 HD2 . ARG A 71 ? 6.24875 19.94143 14.35964 1.000 21.91077 H ? A ? 71 HD2 1
   ATOM 1203 HD3 . ARG A 71 ? 4.78883 20.46740 14.01699 1.000 21.91077 H ? A ? 71 HD3 1
   ATOM 1204 HE . ARG A 71 ? 6.04088 20.93431 11.85994 1.000 23.64309 H ? A ? 71 HE 1
   ATOM 1205 HH11 . ARG A 71 ? 5.68915 18.04479 13.47665 1.000 41.81251 H ? A ? 71 HH11 1
   ATOM 1206 HH12 . ARG A 71 ? 5.93739 17.17897 12.29025 1.000 41.81251 H ? A ? 71 HH12 1
   ATOM 1207 HH21 . ARG A 71 ? 6.43981 19.58291 10.09223 1.000 38.78295 H ? A ? 71 HH21 1
   ATOM 1208 HH22 . ARG A 71 ? 6.38883 18.10296 10.25340 1.000 38.78295 H ? A ? 71 HH22 1
   ATOM 1209 N . ALA A 72 ? 6.42957 25.54486 14.36323 1.000 5.93663 N ? A ? 72 N 1
   ATOM 1210 CA . ALA A 72 ? 5.83818 26.74303 13.77187 1.000 7.60169 C ? A ? 72 CA 1
   ATOM 1211 C . ALA A 72 ? 6.09893 26.75591 12.28287 1.000 9.18913 C ? A ? 72 C 1
   ATOM 1212 O . ALA A 72 ? 7.09784 26.23526 11.83313 1.000 8.80763 O ? A ? 72 O 1
   ATOM 1213 CB . ALA A 72 ? 6.38348 28.05732 14.36053 1.000 9.72131 C ? A ? 72 CB 1
   ATOM 1214 H . ALA A 72 ? 7.19572 25.33007 14.03693 1.000 7.12732 H ? A ? 72 H 1
   ATOM 1215 HA . ALA A 72 ? 4.88415 26.70638 13.94329 1.000 9.12539 H ? A ? 72 HA 1
   ATOM 1216 HB1 . ALA A 72 ? 6.02612 28.80284 13.85318 1.000 11.66894 H ? A ? 72 HB1 1
   ATOM 1217 HB2 . ALA A 72 ? 6.10808 28.12616 15.28806 1.000 11.66894 H ? A ? 72 HB2 1
   ATOM 1218 HB3 . ALA A 72 ? 7.35172 28.05159 14.30252 1.000 11.66894 H ? A ? 72 HB3 1
   ATOM 1219 N . LYS A 73 ? 5.23534 27.45285 11.56786 1.000 6.45981 N ? A ? 73 N 1
   ATOM 1220 CA . LYS A 73 ? 5.47429 27.86294 10.21056 1.000 8.02253 C ? A ? 73 CA 1
   ATOM 1221 C . LYS A 73 ? 6.03056 29.27613 10.17961 1.000 10.83681 C ? A ? 73 C 1
   ATOM 1222 O . LYS A 73 ? 5.40616 30.20315 10.70609 1.000 9.42380 O ? A ? 73 O 1
   ATOM 1223 CB . LYS A 73 ? 4.17658 27.85083 9.42676 1.000 14.94175 C ? A ? 73 CB 1
   ATOM 1224 CG . LYS A 73 ? 3.91892 26.52110 8.71453 1.000 30.06192 C ? A ? 73 CG 1
   ATOM 1225 CD . LYS A 73 ? 2.72959 26.69545 7.71310 1.000 38.36841 C ? A ? 73 CD 1
   ATOM 1226 CE . LYS A 73 ? 2.54148 25.50277 6.82843 1.000 50.40039 C ? A ? 73 CE 1
   ATOM 1227 NZ . LYS A 73 ? 2.45035 24.20085 7.59891 1.000 49.05567 N ? A ? 73 NZ 1
   ATOM 1228 H . LYS A 73 ? 4.47032 27.70928 11.86549 1.000 7.75514 H ? A ? 73 H 1
   ATOM 1229 HA . LYS A 73 ? 6.11865 27.25411 9.81683 1.000 9.63040 H ? A ? 73 HA 1
   ATOM 1230 HB2 . LYS A 73 ? 3.43942 28.01134 10.03646 1.000 17.93346 H ? A ? 73 HB2 1
   ATOM 1231 HB3 . LYS A 73 ? 4.20888 28.54904 8.75418 1.000 17.93346 H ? A ? 73 HB3 1
   ATOM 1232 HG2 . LYS A 73 ? 4.70932 26.25289 8.22035 1.000 36.07767 H ? A ? 73 HG2 1
   ATOM 1233 HG3 . LYS A 73 ? 3.68605 25.83886 9.36354 1.000 36.07767 H ? A ? 73 HG3 1
   ATOM 1234 HD2 . LYS A 73 ? 1.91009 26.82927 8.21453 1.000 46.04546 H ? A ? 73 HD2 1
   ATOM 1235 HD3 . LYS A 73 ? 2.90171 27.46440 7.14742 1.000 46.04546 H ? A ? 73 HD3 1
   ATOM 1236 HE2 . LYS A 73 ? 1.71909 25.61006 6.32537 1.000 60.48383 H ? A ? 73 HE2 1
   ATOM 1237 HE3 . LYS A 73 ? 3.29553 25.43835 6.22167 1.000 60.48383 H ? A ? 73 HE3 1
   ATOM 1238 HZ1 . LYS A 73 ? 2.36010 23.51874 7.03439 1.000 58.87017 H ? A ? 73 HZ1 1
   ATOM 1239 HZ2 . LYS A 73 ? 3.18830 24.08055 8.08166 1.000 58.87017 H ? A ? 73 HZ2 1
   ATOM 1240 HZ3 . LYS A 73 ? 1.74774 24.21881 8.14491 1.000 58.87017 H ? A ? 73 HZ3 1
   ATOM 1241 N . LEU A 74 ? 7.21577 29.45360 9.60614 1.000 6.25583 N ? A ? 74 N 1
   ATOM 1242 CA . LEU A 74 ? 7.82738 30.74037 9.43983 1.000 7.05760 C ? A ? 74 CA 1
   ATOM 1243 C . LEU A 74 ? 7.63836 31.18376 7.98391 1.000 11.76209 C ? A ? 74 C 1
   ATOM 1244 O . LEU A 74 ? 8.04480 30.46638 7.08543 1.000 10.17968 O ? A ? 74 O 1
   ATOM 1245 CB . LEU A 74 ? 9.32652 30.65799 9.71821 1.000 8.37632 C ? A ? 74 CB 1
   ATOM 1246 CG . LEU A 74 ? 9.82867 30.23958 11.08180 1.000 16.79969 C ? A ? 74 CG 1
   ATOM 1247 CD1 . LEU A 74 ? 11.31997 30.55966 11.22113 1.000 17.18583 C ? A ? 74 CD1 1
   ATOM 1248 CD2 . LEU A 74 ? 9.05895 30.88583 12.08286 1.000 20.80470 C ? A ? 74 CD2 1
   ATOM 1249 H . LEU A 74 ? 7.69485 28.80990 9.29673 1.000 7.51036 H ? A ? 74 H 1
   ATOM 1250 HA . LEU A 74 ? 7.40965 31.37384 10.04409 1.000 8.47249 H ? A ? 74 HA 1
   ATOM 1251 HB2 . LEU A 74 ? 9.69893 30.02126 9.08830 1.000 10.05494 H ? A ? 74 HB2 1
   ATOM 1252 HB3 . LEU A 74 ? 9.69562 31.54015 9.55558 1.000 10.05494 H ? A ? 74 HB3 1
   ATOM 1253 HG . LEU A 74 ? 9.73163 29.28144 11.19778 1.000 20.16299 H ? A ? 74 HG 1
   ATOM 1254 HD11 . LEU A 74 ? 11.64586 30.18894 12.05615 1.000 20.62636 H ? A ? 74 HD11 1
   ATOM 1255 HD12 . LEU A 74 ? 11.79858 30.16556 10.47512 1.000 20.62636 H ? A ? 74 HD12 1
   ATOM 1256 HD13 . LEU A 74 ? 11.43793 31.52245 11.21828 1.000 20.62636 H ? A ? 74 HD13 1
   ATOM 1257 HD21 . LEU A 74 ? 9.41025 30.64675 12.95482 1.000 24.96900 H ? A ? 74 HD21 1
   ATOM 1258 HD22 . LEU A 74 ? 9.11641 31.84564 11.95491 1.000 24.96900 H ? A ? 74 HD22 1
   ATOM 1259 HD23 . LEU A 74 ? 8.13612 30.59673 12.00742 1.000 24.96900 H ? A ? 74 HD23 1
   ATOM 1260 N . THR A 75 ? 6.97390 32.29457 7.75692 1.000 8.23254 N ? A ? 75 N 1
   ATOM 1261 CA . THR A 75 ? 6.84092 32.85968 6.40314 1.000 6.58411 C ? A ? 75 CA 1
   ATOM 1262 C . THR A 75 ? 7.75546 34.06428 6.30538 1.000 7.60023 C ? A ? 75 C 1
   ATOM 1263 O . THR A 75 ? 7.69071 35.00524 7.11507 1.000 8.49076 O ? A ? 75 O 1
   ATOM 1264 CB . THR A 75 ? 5.37539 33.24446 6.12742 1.000 14.68627 C ? A ? 75 CB 1
   ATOM 1265 OG1 . THR A 75 ? 4.54557 32.08907 6.13267 1.000 11.78775 O ? A ? 75 OG1 1
   ATOM 1266 CG2 . THR A 75 ? 5.21328 33.81258 4.67999 1.000 11.06881 C ? A ? 75 CG2 1
   ATOM 1267 H . THR A 75 ? 6.58171 32.75492 8.36836 1.000 9.88241 H ? A ? 75 H 1
   ATOM 1268 HA . THR A 75 ? 7.11471 32.21440 5.73266 1.000 7.90429 H ? A ? 75 HA 1
   ATOM 1269 HB . THR A 75 ? 5.11972 33.88918 6.80555 1.000 17.62689 H ? A ? 75 HB 1
   ATOM 1270 HG1 . THR A 75 ? 4.83499 31.53001 6.68881 1.000 14.14866 H ? A ? 75 HG1 1
   ATOM 1271 HG21 . THR A 75 ? 4.27339 33.85672 4.44425 1.000 13.28594 H ? A ? 75 HG21 1
   ATOM 1272 HG22 . THR A 75 ? 5.59282 34.70378 4.62895 1.000 13.28594 H ? A ? 75 HG22 1
   ATOM 1273 HG23 . THR A 75 ? 5.67041 33.23892 4.04529 1.000 13.28594 H ? A ? 75 HG23 1
   ATOM 1274 N . ILE A 76 ? 8.67234 34.02058 5.33502 1.000 6.79607 N ? A ? 76 N 1
   ATOM 1275 CA . ILE A 76 ? 9.77535 34.93593 5.30761 1.000 9.69894 C ? A ? 76 CA 1
   ATOM 1276 C . ILE A 76 ? 9.73797 35.69347 3.99840 1.000 7.74600 C ? A ? 76 C 1
   ATOM 1277 O . ILE A 76 ? 9.81786 35.07868 2.92394 1.000 8.26018 O ? A ? 76 O 1
   ATOM 1278 CB . ILE A 76 ? 11.09213 34.20444 5.46235 1.000 7.78838 C ? A ? 76 CB 1
   ATOM 1279 CG1 . ILE A 76 ? 11.12415 33.43085 6.76535 1.000 11.86990 C ? A ? 76 CG1 1
   ATOM 1280 CG2 . ILE A 76 ? 12.25866 35.09703 5.39175 1.000 9.36171 C ? A ? 76 CG2 1
   ATOM 1281 CD1 . ILE A 76 ? 12.39138 32.59194 6.94296 1.000 9.80536 C ? A ? 76 CD1 1
   ATOM 1282 H . ILE A 76 ? 8.66190 33.45883 4.68392 1.000 8.15865 H ? A ? 76 H 1
   ATOM 1283 HA . ILE A 76 ? 9.68344 35.57620 6.03045 1.000 11.64209 H ? A ? 76 HA 1
   ATOM 1284 HB . ILE A 76 ? 11.14726 33.59210 4.71209 1.000 9.34942 H ? A ? 76 HB 1
   ATOM 1285 HG12 . ILE A 76 ? 11.07682 34.05839 7.50348 1.000 14.24724 H ? A ? 76 HG12 1
   ATOM 1286 HG13 . ILE A 76 ? 10.36327 32.82979 6.79159 1.000 14.24724 H ? A ? 76 HG13 1
   ATOM 1287 HG21 . ILE A 76 ? 13.05331 34.59825 5.63802 1.000 11.23742 H ? A ? 76 HG21 1
   ATOM 1288 HG22 . ILE A 76 ? 12.34582 35.43172 4.48550 1.000 11.23742 H ? A ? 76 HG22 1
   ATOM 1289 HG23 . ILE A 76 ? 12.12839 35.83617 6.00624 1.000 11.23742 H ? A ? 76 HG23 1
   ATOM 1290 HD11 . ILE A 76 ? 12.25293 31.95979 7.66555 1.000 11.76979 H ? A ? 76 HD11 1
   ATOM 1291 HD12 . ILE A 76 ? 12.57338 32.11610 6.11752 1.000 11.76979 H ? A ? 76 HD12 1
   ATOM 1292 HD13 . ILE A 76 ? 13.13248 33.18048 7.15580 1.000 11.76979 H ? A ? 76 HD13 1
   ATOM 1293 N . SER A 77 ? 9.81030 37.01900 4.09875 1.000 6.30965 N ? A ? 77 N 1
   ATOM 1294 CA . SER A 77 ? 9.79106 37.83103 2.88206 1.000 9.15866 C ? A ? 77 CA 1
   ATOM 1295 C . SER A 77 ? 11.15137 37.82630 2.21463 1.000 10.07049 C ? A ? 77 C 1
   ATOM 1296 O . SER A 77 ? 12.17830 37.47768 2.82900 1.000 8.71766 O ? A ? 77 O 1
   ATOM 1297 CB . SER A 77 ? 9.35556 39.24314 3.21027 1.000 12.38006 C ? A ? 77 CB 1
   ATOM 1298 OG . SER A 77 ? 10.31017 39.90213 4.00317 1.000 12.08543 O ? A ? 77 OG 1
   ATOM 1299 H . SER A 77 ? 9.86927 37.45891 4.83537 1.000 7.57495 H ? A ? 77 H 1
   ATOM 1300 HA . SER A 77 ? 9.15278 37.46501 2.24997 1.000 10.99375 H ? A ? 77 HA 1
   ATOM 1301 HB2 . SER A 77 ? 9.24073 39.73625 2.38289 1.000 14.85943 H ? A ? 77 HB2 1
   ATOM 1302 HB3 . SER A 77 ? 8.51593 39.20782 3.69470 1.000 14.85943 H ? A ? 77 HB3 1
   ATOM 1303 HG . SER A 77 ? 10.09319 40.70729 4.10433 1.000 14.50588 H ? A ? 77 HG 1
   ATOM 1304 N . PRO A 78 ? 11.20133 38.14093 0.90965 1.000 8.25069 N ? A ? 78 N 1
   ATOM 1305 CA . PRO A 78 ? 12.42664 37.89721 0.18468 1.000 9.26296 C ? A ? 78 CA 1
   ATOM 1306 C . PRO A 78 ? 13.58247 38.66604 0.77164 1.000 8.76282 C ? A ? 78 C 1
   ATOM 1307 O . PRO A 78 ? 14.71200 38.14141 0.82520 1.000 9.21150 O ? A ? 78 O 1
   ATOM 1308 CB . PRO A 78 ? 12.10030 38.37479 -1.26749 1.000 7.83178 C ? A ? 78 CB 1
   ATOM 1309 CG . PRO A 78 ? 10.65233 38.23691 -1.41739 1.000 9.98326 C ? A ? 78 CG 1
   ATOM 1310 CD . PRO A 78 ? 10.04689 38.41046 0.03343 1.000 13.34609 C ? A ? 78 CD 1
   ATOM 1311 HA . PRO A 78 ? 12.62250 36.94745 0.16252 1.000 11.11891 H ? A ? 78 HA 1
   ATOM 1312 HB2 . PRO A 78 ? 12.37079 39.30002 -1.37562 1.000 9.40149 H ? A ? 78 HB2 1
   ATOM 1313 HB3 . PRO A 78 ? 12.56725 37.81562 -1.90795 1.000 9.40149 H ? A ? 78 HB3 1
   ATOM 1314 HG2 . PRO A 78 ? 10.31843 38.92564 -2.01326 1.000 11.98328 H ? A ? 78 HG2 1
   ATOM 1315 HG3 . PRO A 78 ? 10.44280 37.35953 -1.77403 1.000 11.98328 H ? A ? 78 HG3 1
   ATOM 1316 HD2 . PRO A 78 ? 9.71570 39.31266 0.16477 1.000 16.01867 H ? A ? 78 HD2 1
   ATOM 1317 HD3 . PRO A 78 ? 9.33575 37.76981 0.19077 1.000 16.01867 H ? A ? 78 HD3 1
   ATOM 1318 N A ASP A 79 ? 13.36951 39.91040 1.21173 0.384 6.90798 N ? A ? 79 N 1
   ATOM 1319 CA A ASP A 79 ? 14.53727 40.65917 1.67236 0.384 9.93138 C ? A ? 79 CA 1
   ATOM 1320 C A ASP A 79 ? 15.09865 40.14471 2.99491 0.384 10.19525 C ? A ? 79 C 1
   ATOM 1321 O A ASP A 79 ? 16.17139 40.61317 3.40233 0.384 9.16067 O ? A ? 79 O 1
   ATOM 1322 CB A ASP A 79 ? 14.22595 42.16045 1.80776 0.384 12.97811 C ? A ? 79 CB 1
   ATOM 1323 CG A ASP A 79 ? 15.50177 43.02919 1.65201 0.384 14.60162 C ? A ? 79 CG 1
   ATOM 1324 OD1 A ASP A 79 ? 16.12179 42.91858 0.55079 0.384 12.84169 O ? A ? 79 OD1 1
   ATOM 1325 OD2 A ASP A 79 ? 15.93484 43.75422 2.60708 0.384 14.77853 O ? A ? 79 OD2 1
   ATOM 1326 H A ASP A 79 ? 12.61079 40.31347 1.25007 0.384 8.29293 H ? A ? 79 H 1
   ATOM 1327 HA A ASP A 79 ? 15.22198 40.56401 0.99191 0.384 11.92102 H ? A ? 79 HA 1
   ATOM 1328 HB2 A ASP A 79 ? 13.59536 42.41984 1.11784 0.384 15.57709 H ? A ? 79 HB2 1
   ATOM 1329 HB3 A ASP A 79 ? 13.84724 42.33079 2.68438 0.384 15.57709 H ? A ? 79 HB3 1
   ATOM 1330 N B ASP A 79 ? 13.37738 39.91318 1.21429 0.616 6.98758 N ? A ? 79 N 1
   ATOM 1331 CA B ASP A 79 ? 14.54185 40.62472 1.74914 0.616 9.89483 C ? A ? 79 CA 1
   ATOM 1332 C B ASP A 79 ? 15.11810 39.95741 2.99421 0.616 10.22850 C ? A ? 79 C 1
   ATOM 1333 O B ASP A 79 ? 16.29053 40.16898 3.31985 0.616 8.86686 O ? A ? 79 O 1
   ATOM 1334 CB B ASP A 79 ? 14.22190 42.07115 2.11458 0.616 13.15456 C ? A ? 79 CB 1
   ATOM 1335 CG B ASP A 79 ? 15.51642 42.92415 2.33019 0.616 14.50573 C ? A ? 79 CG 1
   ATOM 1336 OD1 B ASP A 79 ? 16.43492 42.94986 1.41375 0.616 16.18075 O ? A ? 79 OD1 1
   ATOM 1337 OD2 B ASP A 79 ? 15.64773 43.57939 3.39566 0.616 19.37176 O ? A ? 79 OD2 1
   ATOM 1338 H B ASP A 79 ? 12.62929 40.33740 1.21542 0.616 8.38846 H ? A ? 79 H 1
   ATOM 1339 HA B ASP A 79 ? 15.20013 40.62847 1.03671 0.616 11.87716 H ? A ? 79 HA 1
   ATOM 1340 HB2 B ASP A 79 ? 13.70918 42.47513 1.39708 0.616 15.78884 H ? A ? 79 HB2 1
   ATOM 1341 HB3 B ASP A 79 ? 13.70909 42.08584 2.93781 0.616 15.78884 H ? A ? 79 HB3 1
   ATOM 1342 N A TYR A 80 ? 14.37480 39.24054 3.68729 0.384 7.46925 N ? A ? 80 N 1
   ATOM 1343 CA A TYR A 80 ? 14.84975 38.55181 4.88880 0.384 8.89531 C ? A ? 80 CA 1
   ATOM 1344 C A TYR A 80 ? 15.38732 37.15879 4.56563 0.384 8.44186 C ? A ? 80 C 1
   ATOM 1345 O A TYR A 80 ? 15.82284 36.43194 5.47651 0.384 7.96735 O ? A ? 80 O 1
   ATOM 1346 CB A TYR A 80 ? 13.69532 38.49380 5.92888 0.384 7.80936 C ? A ? 80 CB 1
   ATOM 1347 CG A TYR A 80 ? 13.56408 39.77598 6.72434 0.384 10.74000 C ? A ? 80 CG 1
   ATOM 1348 CD1 A TYR A 80 ? 13.10014 40.92224 6.12816 0.384 12.80950 C ? A ? 80 CD1 1
   ATOM 1349 CD2 A TYR A 80 ? 13.93424 39.83849 8.04636 0.384 11.92700 C ? A ? 80 CD2 1
   ATOM 1350 CE1 A TYR A 80 ? 12.99342 42.11955 6.82697 0.384 14.19666 C ? A ? 80 CE1 1
   ATOM 1351 CE2 A TYR A 80 ? 13.84907 41.04409 8.77612 0.384 14.31559 C ? A ? 80 CE2 1
   ATOM 1352 CZ A TYR A 80 ? 13.36268 42.17487 8.14857 0.384 16.09530 C ? A ? 80 CZ 1
   ATOM 1353 OH A TYR A 80 ? 13.23312 43.36277 8.82334 0.384 17.26462 O ? A ? 80 OH 1
   ATOM 1354 H A TYR A 80 ? 13.57742 39.00629 3.46614 0.384 8.96647 H ? A ? 80 H 1
   ATOM 1355 HA A TYR A 80 ? 15.57588 39.04349 5.30338 0.384 10.67773 H ? A ? 80 HA 1
   ATOM 1356 HB2 A TYR A 80 ? 12.85789 38.34096 5.46384 0.384 9.37460 H ? A ? 80 HB2 1
   ATOM 1357 HB3 A TYR A 80 ? 13.86622 37.76960 6.55116 0.384 9.37460 H ? A ? 80 HB3 1
   ATOM 1358 HD1 A TYR A 80 ? 12.85047 40.89726 5.23265 0.384 15.37476 H ? A ? 80 HD1 1
   ATOM 1359 HD2 A TYR A 80 ? 14.24711 39.07128 8.46874 0.384 14.31576 H ? A ? 80 HD2 1
   ATOM 1360 HE1 A TYR A 80 ? 12.67273 42.88118 6.40038 0.384 17.03935 H ? A ? 80 HE1 1
   ATOM 1361 HE2 A TYR A 80 ? 14.11647 41.07665 9.66625 0.384 17.18207 H ? A ? 80 HE2 1
   ATOM 1362 HH A TYR A 80 ? 13.49980 43.27410 9.61493 0.384 20.72091 H ? A ? 80 HH 1
   ATOM 1363 N B TYR A 80 ? 14.30127 39.18813 3.72443 0.616 7.49467 N ? A ? 80 N 1
   ATOM 1364 CA B TYR A 80 ? 14.76116 38.47416 4.91492 0.616 8.90644 C ? A ? 80 CA 1
   ATOM 1365 C B TYR A 80 ? 15.20176 37.05690 4.58337 0.616 8.45309 C ? A ? 80 C 1
   ATOM 1366 O B TYR A 80 ? 15.40588 36.23183 5.50162 0.616 6.67524 O ? A ? 80 O 1
   ATOM 1367 CB B TYR A 80 ? 13.63828 38.51081 5.97909 0.616 7.72050 C ? A ? 80 CB 1
   ATOM 1368 CG B TYR A 80 ? 13.72808 39.78526 6.76874 0.616 10.72342 C ? A ? 80 CG 1
   ATOM 1369 CD1 B TYR A 80 ? 13.39444 40.96445 6.17870 0.616 12.87899 C ? A ? 80 CD1 1
   ATOM 1370 CD2 B TYR A 80 ? 14.26074 39.82172 8.03882 0.616 11.90403 C ? A ? 80 CD2 1
   ATOM 1371 CE1 B TYR A 80 ? 13.50262 42.16829 6.82947 0.616 13.65860 C ? A ? 80 CE1 1
   ATOM 1372 CE2 B TYR A 80 ? 14.39100 41.06611 8.74111 0.616 13.41770 C ? A ? 80 CE2 1
   ATOM 1373 CZ B TYR A 80 ? 13.97537 42.22943 8.10022 0.616 15.89548 C ? A ? 80 CZ 1
   ATOM 1374 OH B TYR A 80 ? 14.06629 43.48837 8.65974 0.616 19.48645 O ? A ? 80 OH 1
   ATOM 1375 H B TYR A 80 ? 13.46905 39.06507 3.54590 0.616 8.99697 H ? A ? 80 H 1
   ATOM 1376 HA B TYR A 80 ? 15.53160 38.91187 5.30954 0.616 10.69109 H ? A ? 80 HA 1
   ATOM 1377 HB2 B TYR A 80 ? 12.77274 38.47344 5.54279 0.616 9.26796 H ? A ? 80 HB2 1
   ATOM 1378 HB3 B TYR A 80 ? 13.73711 37.75976 6.58494 0.616 9.26796 H ? A ? 80 HB3 1
   ATOM 1379 HD1 B TYR A 80 ? 13.08178 40.95481 5.30289 0.616 15.45815 H ? A ? 80 HD1 1
   ATOM 1380 HD2 B TYR A 80 ? 14.53845 39.03241 8.44473 0.616 14.28820 H ? A ? 80 HD2 1
   ATOM 1381 HE1 B TYR A 80 ? 13.24921 42.95047 6.39487 0.616 16.39368 H ? A ? 80 HE1 1
   ATOM 1382 HE2 B TYR A 80 ? 14.74360 41.09453 9.60121 0.616 16.10460 H ? A ? 80 HE2 1
   ATOM 1383 HH B TYR A 80 ? 14.17194 43.42647 9.49077 0.616 23.38711 H ? A ? 80 HH 1
   ATOM 1384 N . ALA A 81 ? 15.35984 36.77759 3.28513 1.000 8.67770 N ? A ? 81 N 1
   ATOM 1385 CA . ALA A 81 ? 15.88445 35.51183 2.77078 1.000 6.98730 C ? A ? 81 CA 1
   ATOM 1386 C . ALA A 81 ? 16.86148 35.87221 1.62469 1.000 6.63527 C ? A ? 81 C 1
   ATOM 1387 O . ALA A 81 ? 17.89168 36.47470 1.86231 1.000 9.73547 O ? A ? 81 O 1
   ATOM 1388 CB . ALA A 81 ? 14.71467 34.56024 2.39299 1.000 7.02362 C ? A ? 81 CB 1
   ATOM 1389 HA . ALA A 81 ? 16.38438 34.99467 3.42156 1.000 8.38813 H ? A ? 81 HA 1
   ATOM 1390 HB1 . ALA A 81 ? 15.08106 33.72752 2.05648 1.000 8.43171 H ? A ? 81 HB1 1
   ATOM 1391 HB2 . ALA A 81 ? 14.17815 34.39022 3.18302 1.000 8.43171 H ? A ? 81 HB2 1
   ATOM 1392 HB3 . ALA A 81 ? 14.17188 34.98303 1.70924 1.000 8.43171 H ? A ? 81 HB3 1
   ATOM 1393 H A ALA A 81 ? 15.02334 37.26249 2.65964 0.384 10.41660 H ? A ? 81 H 1
   ATOM 1394 H B ALA A 81 ? 15.16159 37.32948 2.65607 0.616 10.41660 H ? A ? 81 H 1
   ATOM 1395 N . TYR A 82 ? 16.58481 35.46655 0.36634 1.000 6.00188 N ? A ? 82 N 1
   ATOM 1396 CA . TYR A 82 ? 17.55952 35.56977 -0.72569 1.000 6.22296 C ? A ? 82 CA 1
   ATOM 1397 C . TYR A 82 ? 17.25042 36.68690 -1.71151 1.000 9.09903 C ? A ? 82 C 1
   ATOM 1398 O . TYR A 82 ? 17.96562 36.79647 -2.73457 1.000 7.83914 O ? A ? 82 O 1
   ATOM 1399 CB . TYR A 82 ? 17.71815 34.20262 -1.42562 1.000 8.82892 C ? A ? 82 CB 1
   ATOM 1400 CG . TYR A 82 ? 18.10516 33.13043 -0.43391 1.000 5.72152 C ? A ? 82 CG 1
   ATOM 1401 CD1 . TYR A 82 ? 19.41161 33.05847 0.04885 1.000 8.59145 C ? A ? 82 CD1 1
   ATOM 1402 CD2 . TYR A 82 ? 17.17952 32.20442 0.10400 1.000 6.23039 C ? A ? 82 CD2 1
   ATOM 1403 CE1 . TYR A 82 ? 19.77484 32.12182 0.99194 1.000 11.04492 C ? A ? 82 CE1 1
   ATOM 1404 CE2 . TYR A 82 ? 17.54420 31.28514 1.06815 1.000 10.11894 C ? A ? 82 CE2 1
   ATOM 1405 CZ . TYR A 82 ? 18.81688 31.20164 1.47201 1.000 13.09296 C ? A ? 82 CZ 1
   ATOM 1406 OH . TYR A 82 ? 19.21488 30.28473 2.46046 1.000 13.22463 O ? A ? 82 OH 1
   ATOM 1407 H . TYR A 82 ? 15.83214 35.12683 0.12618 1.000 7.20562 H ? A ? 82 H 1
   ATOM 1408 HA . TYR A 82 ? 18.42465 35.79258 -0.34779 1.000 7.47092 H ? A ? 82 HA 1
   ATOM 1409 HB2 . TYR A 82 ? 16.87682 33.95160 -1.83800 1.000 10.59807 H ? A ? 82 HB2 1
   ATOM 1410 HB3 . TYR A 82 ? 18.41283 34.26387 -2.09983 1.000 10.59807 H ? A ? 82 HB3 1
   ATOM 1411 HD1 . TYR A 82 ? 20.04984 33.65404 -0.27187 1.000 10.31311 H ? A ? 82 HD1 1
   ATOM 1412 HD2 . TYR A 82 ? 16.30083 32.21532 -0.20044 1.000 7.47984 H ? A ? 82 HD2 1
   ATOM 1413 HE1 . TYR A 82 ? 20.64789 32.09563 1.31130 1.000 13.25727 H ? A ? 82 HE1 1
   ATOM 1414 HE2 . TYR A 82 ? 16.90283 30.72225 1.43787 1.000 12.14609 H ? A ? 82 HE2 1
   ATOM 1415 HH . TYR A 82 ? 18.63433 30.24534 3.06627 1.000 15.87292 H ? A ? 82 HH 1
   ATOM 1416 N . GLY A 83 ? 16.24944 37.54126 -1.41579 1.000 6.87195 N ? A ? 83 N 1
   ATOM 1417 CA . GLY A 83 ? 15.99028 38.78461 -2.10587 1.000 7.28438 C ? A ? 83 CA 1
   ATOM 1418 C . GLY A 83 ? 15.76526 38.61504 -3.58119 1.000 7.32763 C ? A ? 83 C 1
   ATOM 1419 O . GLY A 83 ? 15.17933 37.62862 -4.04703 1.000 7.22643 O ? A ? 83 O 1
   ATOM 1420 H . GLY A 83 ? 15.68378 37.40308 -0.78291 1.000 8.24970 H ? A ? 83 H 1
   ATOM 1421 HA2 . GLY A 83 ? 15.19925 39.19869 -1.72677 1.000 8.74463 H ? A ? 83 HA2 1
   ATOM 1422 HA3 . GLY A 83 ? 16.74718 39.37880 -1.98358 1.000 8.74463 H ? A ? 83 HA3 1
   ATOM 1423 N . ALA A 84 ? 16.31617 39.55790 -4.33267 1.000 6.69324 N ? A ? 84 N 1
   ATOM 1424 CA . ALA A 84 ? 16.13049 39.53685 -5.75084 1.000 6.23304 C ? A ? 84 CA 1
   ATOM 1425 C . ALA A 84 ? 16.99864 38.54957 -6.46935 1.000 10.16961 C ? A ? 84 C 1
   ATOM 1426 O . ALA A 84 ? 16.74158 38.30790 -7.66134 1.000 9.66892 O ? A ? 84 O 1
   ATOM 1427 CB . ALA A 84 ? 16.35175 40.97632 -6.25201 1.000 10.79111 C ? A ? 84 CB 1
   ATOM 1428 H . ALA A 84 ? 16.79466 40.20842 -4.03692 1.000 8.03526 H ? A ? 84 H 1
   ATOM 1429 HA . ALA A 84 ? 15.22799 39.26204 -5.97639 1.000 7.48302 H ? A ? 84 HA 1
   ATOM 1430 HB1 . ALA A 84 ? 16.16671 41.01137 -7.20355 1.000 12.95269 H ? A ? 84 HB1 1
   ATOM 1431 HB2 . ALA A 84 ? 15.75203 41.57205 -5.77625 1.000 12.95269 H ? A ? 84 HB2 1
   ATOM 1432 HB3 . ALA A 84 ? 17.27261 41.23099 -6.08451 1.000 12.95269 H ? A ? 84 HB3 1
   ATOM 1433 N . THR A 85 ? 18.02253 37.97102 -5.80620 1.000 8.43570 N ? A ? 85 N 1
   ATOM 1434 CA . THR A 85 ? 18.95656 37.05526 -6.42044 1.000 6.06191 C ? A ? 85 CA 1
   ATOM 1435 C . THR A 85 ? 18.43330 35.62987 -6.40212 1.000 9.60582 C ? A ? 85 C 1
   ATOM 1436 O . THR A 85 ? 18.44937 34.96251 -7.43911 1.000 10.64564 O ? A ? 85 O 1
   ATOM 1437 CB . THR A 85 ? 20.31319 37.10949 -5.74268 1.000 9.17602 C ? A ? 85 CB 1
   ATOM 1438 OG1 . THR A 85 ? 20.77695 38.46785 -5.71905 1.000 9.88437 O ? A ? 85 OG1 1
   ATOM 1439 CG2 . THR A 85 ? 21.29883 36.23925 -6.42124 1.000 10.99673 C ? A ? 85 CG2 1
   ATOM 1440 H . THR A 85 ? 18.18798 38.10841 -4.97352 1.000 10.12621 H ? A ? 85 H 1
   ATOM 1441 HA . THR A 85 ? 19.09151 37.33088 -7.34061 1.000 7.27766 H ? A ? 85 HA 1
   ATOM 1442 HB . THR A 85 ? 20.23073 36.78168 -4.83348 1.000 11.01459 H ? A ? 85 HB 1
   ATOM 1443 HG1 . THR A 85 ? 20.12554 38.99490 -5.77802 1.000 11.86461 H ? A ? 85 HG1 1
   ATOM 1444 HG21 . THR A 85 ? 22.17170 36.34421 -6.01138 1.000 13.19944 H ? A ? 85 HG21 1
   ATOM 1445 HG22 . THR A 85 ? 21.02682 35.31096 -6.34924 1.000 13.19944 H ? A ? 85 HG22 1
   ATOM 1446 HG23 . THR A 85 ? 21.36098 36.47721 -7.35955 1.000 13.19944 H ? A ? 85 HG23 1
   ATOM 1447 N . GLY A 86 ? 17.85690 35.23294 -5.25852 1.000 6.36663 N ? A ? 86 N 1
   ATOM 1448 CA . GLY A 86 ? 17.55829 33.86132 -5.01172 1.000 6.56241 C ? A ? 86 CA 1
   ATOM 1449 C . GLY A 86 ? 18.75932 33.09296 -4.59394 1.000 8.68714 C ? A ? 86 C 1
   ATOM 1450 O . GLY A 86 ? 19.75792 33.63174 -4.22829 1.000 7.86866 O ? A ? 86 O 1
   ATOM 1451 H . GLY A 86 ? 17.63513 35.76075 -4.61678 1.000 7.64331 H ? A ? 86 H 1
   ATOM 1452 HA2 . GLY A 86 ? 16.89366 33.79805 -4.30805 1.000 7.87826 H ? A ? 86 HA2 1
   ATOM 1453 HA3 . GLY A 86 ? 17.20240 33.45890 -5.81937 1.000 7.87826 H ? A ? 86 HA3 1
   ATOM 1454 N A HIS A 87 ? 18.64403 31.77014 -4.71257 0.565 10.58969 N ? A ? 87 N 1
   ATOM 1455 CA A HIS A 87 ? 19.69303 30.84176 -4.27170 0.565 9.13735 C ? A ? 87 CA 1
   ATOM 1456 C A HIS A 87 ? 19.98112 29.91396 -5.44177 0.565 9.84543 C ? A ? 87 C 1
   ATOM 1457 O A HIS A 87 ? 19.09336 29.14284 -5.83902 0.565 11.18811 O ? A ? 87 O 1
   ATOM 1458 CB A HIS A 87 ? 19.33900 30.01809 -3.03945 0.565 11.86179 C ? A ? 87 CB 1
   ATOM 1459 CG A HIS A 87 ? 20.48635 29.16118 -2.60059 0.565 10.68878 C ? A ? 87 CG 1
   ATOM 1460 ND1 A HIS A 87 ? 20.60084 27.82154 -2.91152 0.565 13.41845 N ? A ? 87 ND1 1
   ATOM 1461 CD2 A HIS A 87 ? 21.61411 29.48926 -1.92038 0.565 10.30845 C ? A ? 87 CD2 1
   ATOM 1462 CE1 A HIS A 87 ? 21.73449 27.35489 -2.40419 0.565 11.23782 C ? A ? 87 CE1 1
   ATOM 1463 NE2 A HIS A 87 ? 22.36634 28.35245 -1.81962 0.565 13.03455 N ? A ? 87 NE2 1
   ATOM 1464 H A HIS A 87 ? 17.95746 31.37757 -5.05037 0.565 12.71099 H ? A ? 87 H 1
   ATOM 1465 HA A HIS A 87 ? 20.46950 31.36778 -4.02412 0.565 10.96818 H ? A ? 87 HA 1
   ATOM 1466 HB2 A HIS A 87 ? 19.10789 30.61520 -2.31079 0.565 14.23751 H ? A ? 87 HB2 1
   ATOM 1467 HB3 A HIS A 87 ? 18.58783 29.44008 -3.24569 0.565 14.23751 H ? A ? 87 HB3 1
   ATOM 1468 HD2 A HIS A 87 ? 21.83357 30.32888 -1.58604 0.565 12.37350 H ? A ? 87 HD2 1
   ATOM 1469 HE1 A HIS A 87 ? 22.03196 26.47509 -2.45280 0.565 13.48874 H ? A ? 87 HE1 1
   ATOM 1470 HE2 A HIS A 87 ? 23.13322 28.29691 -1.43437 0.565 15.64482 H ? A ? 87 HE2 1
   ATOM 1471 N B HIS A 87 ? 18.61389 31.76714 -4.64285 0.435 10.59511 N ? A ? 87 N 1
   ATOM 1472 CA B HIS A 87 ? 19.69086 30.84301 -4.30485 0.435 9.19665 C ? A ? 87 CA 1
   ATOM 1473 C B HIS A 87 ? 19.94386 29.97859 -5.53187 0.435 9.90345 C ? A ? 87 C 1
   ATOM 1474 O B HIS A 87 ? 18.99966 29.41385 -6.11624 0.435 10.94737 O ? A ? 87 O 1
   ATOM 1475 CB B HIS A 87 ? 19.40451 29.99374 -3.08425 0.435 11.86317 C ? A ? 87 CB 1
   ATOM 1476 CG B HIS A 87 ? 20.63889 29.33575 -2.56477 0.435 10.86480 C ? A ? 87 CG 1
   ATOM 1477 ND1 B HIS A 87 ? 21.21497 28.26857 -3.20262 0.435 12.59169 N ? A ? 87 ND1 1
   ATOM 1478 CD2 B HIS A 87 ? 21.47804 29.66445 -1.54991 0.435 10.39861 C ? A ? 87 CD2 1
   ATOM 1479 CE1 B HIS A 87 ? 22.29007 27.89270 -2.53663 0.435 11.08679 C ? A ? 87 CE1 1
   ATOM 1480 NE2 B HIS A 87 ? 22.48301 28.74007 -1.54060 0.435 13.50940 N ? A ? 87 NE2 1
   ATOM 1481 H B HIS A 87 ? 17.88476 31.37401 -4.87398 0.435 12.71749 H ? A ? 87 H 1
   ATOM 1482 HA B HIS A 87 ? 20.48515 31.35169 -4.07847 0.435 11.03934 H ? A ? 87 HA 1
   ATOM 1483 HB2 B HIS A 87 ? 19.04083 30.55577 -2.38228 0.435 14.23917 H ? A ? 87 HB2 1
   ATOM 1484 HB3 B HIS A 87 ? 18.76664 29.30175 -3.31913 0.435 14.23917 H ? A ? 87 HB3 1
   ATOM 1485 HD2 B HIS A 87 ? 21.38577 30.38494 -0.96915 0.435 12.48170 H ? A ? 87 HD2 1
   ATOM 1486 HE1 B HIS A 87 ? 22.82221 27.15610 -2.73449 0.435 13.30751 H ? A ? 87 HE1 1
   ATOM 1487 HE2 B HIS A 87 ? 23.13406 28.71355 -0.97933 0.435 16.21464 H ? A ? 87 HE2 1
   ATOM 1488 N . PRO A 88 ? 21.15149 30.01436 -6.05839 1.000 11.95706 N ? A ? 88 N 1
   ATOM 1489 CA . PRO A 88 ? 21.40517 29.39500 -7.33502 1.000 13.68863 C ? A ? 88 CA 1
   ATOM 1490 C . PRO A 88 ? 20.95724 27.95799 -7.32749 1.000 15.23937 C ? A ? 88 C 1
   ATOM 1491 O . PRO A 88 ? 21.27681 27.21573 -6.40302 1.000 13.25962 O ? A ? 88 O 1
   ATOM 1492 CB . PRO A 88 ? 22.92640 29.43957 -7.44986 1.000 17.07060 C ? A ? 88 CB 1
   ATOM 1493 CG . PRO A 88 ? 23.41628 30.11781 -6.39129 1.000 16.67632 C ? A ? 88 CG 1
   ATOM 1494 CD . PRO A 88 ? 22.33935 30.59125 -5.46567 1.000 14.13524 C ? A ? 88 CD 1
   ATOM 1495 HA . PRO A 88 ? 20.98092 29.90064 -8.04583 1.000 16.42972 H ? A ? 88 HA 1
   ATOM 1496 HB2 . PRO A 88 ? 23.26942 28.53225 -7.45326 1.000 20.48808 H ? A ? 88 HB2 1
   ATOM 1497 HB3 . PRO A 88 ? 23.16764 29.88855 -8.27516 1.000 20.48808 H ? A ? 88 HB3 1
   ATOM 1498 HG2 . PRO A 88 ? 24.01471 29.52682 -5.90804 1.000 20.01495 H ? A ? 88 HG2 1
   ATOM 1499 HG3 . PRO A 88 ? 23.90686 30.88401 -6.72770 1.000 20.01495 H ? A ? 88 HG3 1
   ATOM 1500 HD2 . PRO A 88 ? 22.47924 30.25589 -4.56630 1.000 16.96565 H ? A ? 88 HD2 1
   ATOM 1501 HD3 . PRO A 88 ? 22.28912 31.55988 -5.45448 1.000 16.96565 H ? A ? 88 HD3 1
   ATOM 1502 N . GLY A 89 ? 20.21051 27.62134 -8.31550 1.000 15.00822 N ? A ? 89 N 1
   ATOM 1503 CA . GLY A 89 ? 19.79037 26.27002 -8.53332 1.000 21.81022 C ? A ? 89 CA 1
   ATOM 1504 C . GLY A 89 ? 18.52449 25.84532 -7.85031 1.000 17.78669 C ? A ? 89 C 1
   ATOM 1505 O . GLY A 89 ? 17.96983 24.80234 -8.24811 1.000 23.82389 O ? A ? 89 O 1
   ATOM 1506 H . GLY A 89 ? 19.91556 28.17355 -8.90513 1.000 18.01323 H ? A ? 89 H 1
   ATOM 1507 HA2 . GLY A 89 ? 19.66169 26.14131 -9.48609 1.000 26.17562 H ? A ? 89 HA2 1
   ATOM 1508 HA3 . GLY A 89 ? 20.49600 25.67900 -8.22727 1.000 26.17562 H ? A ? 89 HA3 1
   ATOM 1509 N . ILE A 90 ? 18.03237 26.61392 -6.87922 1.000 11.77388 N ? A ? 90 N 1
   ATOM 1510 CA . ILE A 90 ? 17.02385 26.12421 -5.93874 1.000 13.49598 C ? A ? 90 CA 1
   ATOM 1511 C . ILE A 90 ? 15.88649 27.08575 -5.66843 1.000 13.92106 C ? A ? 90 C 1
   ATOM 1512 O . ILE A 90 ? 14.69600 26.70607 -5.70852 1.000 17.57396 O ? A ? 90 O 1
   ATOM 1513 CB . ILE A 90 ? 17.70297 25.81060 -4.60786 1.000 13.24173 C ? A ? 90 CB 1
   ATOM 1514 CG1 . ILE A 90 ? 18.96971 24.92947 -4.68822 1.000 21.38406 C ? A ? 90 CG1 1
   ATOM 1515 CG2 . ILE A 90 ? 16.72879 25.10878 -3.63633 1.000 14.25708 C ? A ? 90 CG2 1
   ATOM 1516 CD1 . ILE A 90 ? 18.72964 23.58416 -4.98534 1.000 22.76163 C ? A ? 90 CD1 1
   ATOM 1517 H . ILE A 90 ? 18.26820 27.42961 -6.74270 1.000 14.13201 H ? A ? 90 H 1
   ATOM 1518 HA . ILE A 90 ? 16.61928 25.35224 -6.36450 1.000 16.19854 H ? A ? 90 HA 1
   ATOM 1519 HB . ILE A 90 ? 17.97604 26.68752 -4.29587 1.000 15.89344 H ? A ? 90 HB 1
   ATOM 1520 HG12 . ILE A 90 ? 19.54727 25.28305 -5.38271 1.000 25.66423 H ? A ? 90 HG12 1
   ATOM 1521 HG13 . ILE A 90 ? 19.42279 24.96260 -3.83118 1.000 25.66423 H ? A ? 90 HG13 1
   ATOM 1522 HG21 . ILE A 90 ? 17.21069 24.85682 -2.83309 1.000 17.11186 H ? A ? 90 HG21 1
   ATOM 1523 HG22 . ILE A 90 ? 16.01022 25.72078 -3.41270 1.000 17.11186 H ? A ? 90 HG22 1
   ATOM 1524 HG23 . ILE A 90 ? 16.36790 24.31823 -4.06724 1.000 17.11186 H ? A ? 90 HG23 1
   ATOM 1525 HD11 . ILE A 90 ? 19.57896 23.12612 -5.08408 1.000 27.31732 H ? A ? 90 HD11 1
   ATOM 1526 HD12 . ILE A 90 ? 18.22165 23.18654 -4.26095 1.000 27.31732 H ? A ? 90 HD12 1
   ATOM 1527 HD13 . ILE A 90 ? 18.22568 23.52844 -5.81227 1.000 27.31732 H ? A ? 90 HD13 1
   ATOM 1528 N . ILE A 91 ? 16.22726 28.36124 -5.46312 1.000 11.92581 N ? A ? 91 N 1
   ATOM 1529 CA . ILE A 91 ? 15.25487 29.38107 -5.09086 1.000 8.64933 C ? A ? 91 CA 1
   ATOM 1530 C . ILE A 91 ? 15.25486 30.52698 -6.09447 1.000 10.41390 C ? A ? 91 C 1
   ATOM 1531 O . ILE A 91 ? 16.30373 31.12369 -6.34577 1.000 8.42194 O ? A ? 91 O 1
   ATOM 1532 CB . ILE A 91 ? 15.50059 29.91614 -3.67581 1.000 9.37260 C ? A ? 91 CB 1
   ATOM 1533 CG1 . ILE A 91 ? 15.31249 28.73045 -2.74019 1.000 13.46391 C ? A ? 91 CG1 1
   ATOM 1534 CG2 . ILE A 91 ? 14.45600 31.05530 -3.41978 1.000 8.74154 C ? A ? 91 CG2 1
   ATOM 1535 CD1 . ILE A 91 ? 15.83246 29.05150 -1.44243 1.000 13.30982 C ? A ? 91 CD1 1
   ATOM 1536 H . ILE A 91 ? 17.03049 28.65976 -5.53600 1.000 14.31434 H ? A ? 91 H 1
   ATOM 1537 HA . ILE A 91 ? 14.37326 28.98031 -5.14600 1.000 10.38256 H ? A ? 91 HA 1
   ATOM 1538 HB . ILE A 91 ? 16.38654 30.28807 -3.54288 1.000 11.25049 H ? A ? 91 HB 1
   ATOM 1539 HG12 . ILE A 91 ? 14.36805 28.52542 -2.65719 1.000 16.16005 H ? A ? 91 HG12 1
   ATOM 1540 HG13 . ILE A 91 ? 15.78986 27.96060 -3.08713 1.000 16.16005 H ? A ? 91 HG13 1
   ATOM 1541 HG21 . ILE A 91 ? 14.36806 31.19411 -2.46380 1.000 10.49322 H ? A ? 91 HG21 1
   ATOM 1542 HG22 . ILE A 91 ? 14.76646 31.86991 -3.84513 1.000 10.49322 H ? A ? 91 HG22 1
   ATOM 1543 HG23 . ILE A 91 ? 13.60178 30.79076 -3.79558 1.000 10.49322 H ? A ? 91 HG23 1
   ATOM 1544 HD11 . ILE A 91 ? 15.91850 28.23502 -0.92585 1.000 15.97515 H ? A ? 91 HD11 1
   ATOM 1545 HD12 . ILE A 91 ? 16.70101 29.47101 -1.54515 1.000 15.97515 H ? A ? 91 HD12 1
   ATOM 1546 HD13 . ILE A 91 ? 15.22131 29.66053 -0.99917 1.000 15.97515 H ? A ? 91 HD13 1
   ATOM 1547 N . PRO A 92 ? 14.11629 30.87519 -6.66501 1.000 11.58899 N ? A ? 92 N 1
   ATOM 1548 CA . PRO A 92 ? 14.09816 31.91779 -7.66932 1.000 11.14046 C ? A ? 92 CA 1
   ATOM 1549 C . PRO A 92 ? 14.18911 33.29409 -7.04078 1.000 9.43169 C ? A ? 92 C 1
   ATOM 1550 O . PRO A 92 ? 13.99686 33.41039 -5.81465 1.000 8.10495 O ? A ? 92 O 1
   ATOM 1551 CB . PRO A 92 ? 12.72936 31.70808 -8.37296 1.000 15.44105 C ? A ? 92 CB 1
   ATOM 1552 CG . PRO A 92 ? 11.90122 31.12327 -7.37971 1.000 16.76129 C ? A ? 92 CG 1
   ATOM 1553 CD . PRO A 92 ? 12.82459 30.17616 -6.57014 1.000 12.87755 C ? A ? 92 CD 1
   ATOM 1554 HA . PRO A 92 ? 14.82241 31.80051 -8.30383 1.000 13.37192 H ? A ? 92 HA 1
   ATOM 1555 HB2 . PRO A 92 ? 12.37284 32.56137 -8.66570 1.000 18.53263 H ? A ? 92 HB2 1
   ATOM 1556 HB3 . PRO A 92 ? 12.83461 31.11427 -9.13271 1.000 18.53263 H ? A ? 92 HB3 1
   ATOM 1557 HG2 . PRO A 92 ? 11.53375 31.81642 -6.80926 1.000 20.11691 H ? A ? 92 HG2 1
   ATOM 1558 HG3 . PRO A 92 ? 11.18340 30.62613 -7.80218 1.000 20.11691 H ? A ? 92 HG3 1
   ATOM 1559 HD2 . PRO A 92 ? 12.53143 30.10155 -5.64852 1.000 15.45642 H ? A ? 92 HD2 1
   ATOM 1560 HD3 . PRO A 92 ? 12.86964 29.29640 -6.97621 1.000 15.45642 H ? A ? 92 HD3 1
   ATOM 1561 N . PRO A 93 ? 14.45832 34.35179 -7.85923 1.000 8.58718 N ? A ? 93 N 1
   ATOM 1562 CA . PRO A 93 ? 14.35051 35.75019 -7.44580 1.000 10.13019 C ? A ? 93 CA 1
   ATOM 1563 C . PRO A 93 ? 13.00337 36.08472 -6.81945 1.000 8.76255 C ? A ? 93 C 1
   ATOM 1564 O . PRO A 93 ? 12.00532 35.52861 -7.20480 1.000 9.50553 O ? A ? 93 O 1
   ATOM 1565 CB . PRO A 93 ? 14.49096 36.52305 -8.77556 1.000 13.20192 C ? A ? 93 CB 1
   ATOM 1566 CG . PRO A 93 ? 15.44124 35.60294 -9.63049 1.000 15.47730 C ? A ? 93 CG 1
   ATOM 1567 CD . PRO A 93 ? 14.80416 34.21974 -9.29987 1.000 16.64214 C ? A ? 93 CD 1
   ATOM 1568 HA . PRO A 93 ? 15.06908 35.94975 -6.82553 1.000 12.15960 H ? A ? 93 HA 1
   ATOM 1569 HB2 . PRO A 93 ? 13.62423 36.62592 -9.19876 1.000 15.84567 H ? A ? 93 HB2 1
   ATOM 1570 HB3 . PRO A 93 ? 14.88912 37.39359 -8.61899 1.000 15.84567 H ? A ? 93 HB3 1
   ATOM 1571 HG2 . PRO A 93 ? 15.38631 35.81725 -10.57492 1.000 18.57613 H ? A ? 93 HG2 1
   ATOM 1572 HG3 . PRO A 93 ? 16.36100 35.66615 -9.32890 1.000 18.57613 H ? A ? 93 HG3 1
   ATOM 1573 HD2 . PRO A 93 ? 14.00966 34.06678 -9.83492 1.000 19.97394 H ? A ? 93 HD2 1
   ATOM 1574 HD3 . PRO A 93 ? 15.44140 33.50186 -9.43944 1.000 19.97394 H ? A ? 93 HD3 1
   ATOM 1575 N . HIS A 94 ? 13.03719 36.92707 -5.81422 1.000 7.18071 N ? A ? 94 N 1
   ATOM 1576 CA . HIS A 94 ? 11.86799 37.53746 -5.16801 1.000 7.75177 C ? A ? 94 CA 1
   ATOM 1577 C . HIS A 94 ? 10.94711 36.49976 -4.52758 1.000 13.99833 C ? A ? 94 C 1
   ATOM 1578 O . HIS A 94 ? 9.74347 36.65960 -4.54518 1.000 13.71060 O ? A ? 94 O 1
   ATOM 1579 CB . HIS A 94 ? 11.06919 38.36987 -6.19992 1.000 11.93644 C ? A ? 94 CB 1
   ATOM 1580 CG . HIS A 94 ? 11.91872 39.33328 -6.92024 1.000 12.94064 C ? A ? 94 CG 1
   ATOM 1581 ND1 . HIS A 94 ? 12.21428 39.20374 -8.27169 1.000 18.24057 N ? A ? 94 ND1 1
   ATOM 1582 CD2 . HIS A 94 ? 12.49999 40.48262 -6.50225 1.000 13.94697 C ? A ? 94 CD2 1
   ATOM 1583 CE1 . HIS A 94 ? 13.00286 40.20605 -8.61636 1.000 13.65274 C ? A ? 94 CE1 1
   ATOM 1584 NE2 . HIS A 94 ? 13.14762 41.01577 -7.59370 1.000 18.10738 N ? A ? 94 NE2 1
   ATOM 1585 H . HIS A 94 ? 13.77195 37.18883 -5.45199 1.000 8.62022 H ? A ? 94 H 1
   ATOM 1586 HA . HIS A 94 ? 12.18927 38.11093 -4.45470 1.000 9.30549 H ? A ? 94 HA 1
   ATOM 1587 HB2 . HIS A 94 ? 10.67215 37.77106 -6.85159 1.000 14.32709 H ? A ? 94 HB2 1
   ATOM 1588 HB3 . HIS A 94 ? 10.37474 38.86556 -5.73847 1.000 14.32709 H ? A ? 94 HB3 1
   ATOM 1589 HD2 . HIS A 94 ? 12.46793 40.84176 -5.64499 1.000 16.73973 H ? A ? 94 HD2 1
   ATOM 1590 HE1 . HIS A 94 ? 13.39399 40.31997 -9.45239 1.000 16.38666 H ? A ? 94 HE1 1
   ATOM 1591 HE2 . HIS A 94 ? 13.57812 41.76019 -7.60383 1.000 21.73222 H ? A ? 94 HE2 1
   ATOM 1592 N . ALA A 95 ? 11.49151 35.45338 -3.95429 1.000 8.26134 N ? A ? 95 N 1
   ATOM 1593 CA . ALA A 95 ? 10.69983 34.36788 -3.38755 1.000 7.85152 C ? A ? 95 CA 1
   ATOM 1594 C . ALA A 95 ? 10.43274 34.53324 -1.88612 1.000 10.08962 C ? A ? 95 C 1
   ATOM 1595 O . ALA A 95 ? 11.37407 34.62527 -1.09900 1.000 10.76240 O ? A ? 95 O 1
   ATOM 1596 CB . ALA A 95 ? 11.40787 33.01816 -3.62651 1.000 10.27886 C ? A ? 95 CB 1
   ATOM 1597 H . ALA A 95 ? 12.34003 35.33805 -3.87484 1.000 9.91697 H ? A ? 95 H 1
   ATOM 1598 HA . ALA A 95 ? 9.83325 34.38865 -3.82288 1.000 9.42519 H ? A ? 95 HA 1
   ATOM 1599 HB1 . ALA A 95 ? 10.85222 32.30388 -3.27728 1.000 12.33800 H ? A ? 95 HB1 1
   ATOM 1600 HB2 . ALA A 95 ? 11.54268 32.89661 -4.57937 1.000 12.33800 H ? A ? 95 HB2 1
   ATOM 1601 HB3 . ALA A 95 ? 12.26350 33.02515 -3.16962 1.000 12.33800 H ? A ? 95 HB3 1
   ATOM 1602 N . THR A 96 ? 9.13448 34.42685 -1.49037 1.000 7.25479 N ? A ? 96 N 1
   ATOM 1603 CA . THR A 96 ? 8.72455 34.28152 -0.07818 1.000 6.20154 C ? A ? 96 CA 1
   ATOM 1604 C . THR A 96 ? 8.90192 32.82371 0.27911 1.000 6.49917 C ? A ? 96 C 1
   ATOM 1605 O . THR A 96 ? 8.56408 31.94878 -0.51850 1.000 7.60309 O ? A ? 96 O 1
   ATOM 1606 CB . THR A 96 ? 7.28036 34.74602 0.07947 1.000 9.72894 C ? A ? 96 CB 1
   ATOM 1607 OG1 . THR A 96 ? 7.21708 36.19814 -0.08564 1.000 11.01774 O ? A ? 96 OG1 1
   ATOM 1608 CG2 . THR A 96 ? 6.80299 34.33516 1.41153 1.000 12.27231 C ? A ? 96 CG2 1
   ATOM 1609 H . THR A 96 ? 8.46804 34.43706 -2.03384 1.000 8.70911 H ? A ? 96 H 1
   ATOM 1610 HA . THR A 96 ? 9.25567 34.82130 0.52800 1.000 7.44522 H ? A ? 96 HA 1
   ATOM 1611 HB . THR A 96 ? 6.70019 34.35029 -0.58963 1.000 11.67809 H ? A ? 96 HB 1
   ATOM 1612 HG1 . THR A 96 ? 7.93739 36.48188 -0.41158 1.000 13.22465 H ? A ? 96 HG1 1
   ATOM 1613 HG21 . THR A 96 ? 5.83711 34.41253 1.45623 1.000 14.73014 H ? A ? 96 HG21 1
   ATOM 1614 HG22 . THR A 96 ? 7.05333 33.41405 1.58412 1.000 14.73014 H ? A ? 96 HG22 1
   ATOM 1615 HG23 . THR A 96 ? 7.19607 34.90138 2.09402 1.000 14.73014 H ? A ? 96 HG23 1
   ATOM 1616 N . LEU A 97 ? 9.58571 32.53807 1.37397 1.000 5.44347 N ? A ? 97 N 1
   ATOM 1617 CA . LEU A 97 ? 9.89846 31.18750 1.76935 1.000 7.91938 C ? A ? 97 CA 1
   ATOM 1618 C . LEU A 97 ? 9.06213 30.78777 2.98880 1.000 6.45301 C ? A ? 97 C 1
   ATOM 1619 O . LEU A 97 ? 8.71168 31.63702 3.79462 1.000 9.14010 O ? A ? 97 O 1
   ATOM 1620 CB . LEU A 97 ? 11.36994 31.02666 2.15175 1.000 9.45728 C ? A ? 97 CB 1
   ATOM 1621 CG . LEU A 97 ? 12.37937 31.44606 1.06376 1.000 9.82792 C ? A ? 97 CG 1
   ATOM 1622 CD1 . LEU A 97 ? 13.78159 31.11804 1.46244 1.000 12.62757 C ? A ? 97 CD1 1
   ATOM 1623 CD2 . LEU A 97 ? 12.00304 30.78574 -0.18119 1.000 13.32486 C ? A ? 97 CD2 1
   ATOM 1624 H . LEU A 97 ? 9.88655 33.13243 1.91787 1.000 6.53553 H ? A ? 97 H 1
   ATOM 1625 HA . LEU A 97 ? 9.69657 30.60578 1.01985 1.000 9.50662 H ? A ? 97 HA 1
   ATOM 1626 HB2 . LEU A 97 ? 11.54357 31.57158 2.93521 1.000 11.35210 H ? A ? 97 HB2 1
   ATOM 1627 HB3 . LEU A 97 ? 11.53269 30.09223 2.35485 1.000 11.35210 H ? A ? 97 HB3 1
   ATOM 1628 HG . LEU A 97 ? 12.35985 32.40740 0.93591 1.000 11.79686 H ? A ? 97 HG 1
   ATOM 1629 HD11 . LEU A 97 ? 14.38834 31.44171 0.77834 1.000 15.15645 H ? A ? 97 HD11 1
   ATOM 1630 HD12 . LEU A 97 ? 13.97801 31.54838 2.30927 1.000 15.15645 H ? A ? 97 HD12 1
   ATOM 1631 HD13 . LEU A 97 ? 13.86748 30.15606 1.55249 1.000 15.15645 H ? A ? 97 HD13 1
   ATOM 1632 HD21 . LEU A 97 ? 12.70733 30.91894 -0.83473 1.000 15.99319 H ? A ? 97 HD21 1
   ATOM 1633 HD22 . LEU A 97 ? 11.88335 29.83808 -0.01236 1.000 15.99319 H ? A ? 97 HD22 1
   ATOM 1634 HD23 . LEU A 97 ? 11.17399 31.17132 -0.50509 1.000 15.99319 H ? A ? 97 HD23 1
   ATOM 1635 N . VAL A 98 ? 8.63070 29.54823 3.00562 1.000 6.18867 N ? A ? 98 N 1
   ATOM 1636 CA . VAL A 98 ? 7.91885 28.95998 4.13877 1.000 7.03363 C ? A ? 98 CA 1
   ATOM 1637 C . VAL A 98 ? 8.76468 27.86019 4.76377 1.000 7.55042 C ? A ? 98 C 1
   ATOM 1638 O . VAL A 98 ? 9.17485 26.91472 4.07053 1.000 8.61615 O ? A ? 98 O 1
   ATOM 1639 CB . VAL A 98 ? 6.56798 28.40455 3.70445 1.000 7.64174 C ? A ? 98 CB 1
   ATOM 1640 CG1 . VAL A 98 ? 5.76893 27.95947 4.97834 1.000 12.54832 C ? A ? 98 CG1 1
   ATOM 1641 CG2 . VAL A 98 ? 5.81888 29.50831 2.99376 1.000 12.02959 C ? A ? 98 CG2 1
   ATOM 1642 H . VAL A 98 ? 8.73769 28.99962 2.35203 1.000 7.42977 H ? A ? 98 H 1
   ATOM 1643 HA . VAL A 98 ? 7.78895 29.64582 4.81230 1.000 8.44372 H ? A ? 98 HA 1
   ATOM 1644 HB . VAL A 98 ? 6.67353 27.64179 3.11457 1.000 9.17345 H ? A ? 98 HB 1
   ATOM 1645 HG11 . VAL A 98 ? 4.87080 27.70488 4.71481 1.000 15.06135 H ? A ? 98 HG11 1
   ATOM 1646 HG12 . VAL A 98 ? 6.22050 27.20422 5.38649 1.000 15.06135 H ? A ? 98 HG12 1
   ATOM 1647 HG13 . VAL A 98 ? 5.73277 28.70042 5.60331 1.000 15.06135 H ? A ? 98 HG13 1
   ATOM 1648 HG21 . VAL A 98 ? 4.92300 29.19941 2.78667 1.000 14.43887 H ? A ? 98 HG21 1
   ATOM 1649 HG22 . VAL A 98 ? 5.77529 30.28460 3.57374 1.000 14.43887 H ? A ? 98 HG22 1
   ATOM 1650 HG23 . VAL A 98 ? 6.28880 29.73277 2.17542 1.000 14.43887 H ? A ? 98 HG23 1
   ATOM 1651 N A PHE A 99 ? 9.00130 27.93960 6.07342 0.441 6.45242 N ? A ? 99 N 1
   ATOM 1652 CA A PHE A 99 ? 9.72427 26.86015 6.75844 0.441 7.05198 C ? A ? 99 CA 1
   ATOM 1653 C A PHE A 99 ? 8.85911 26.26020 7.86402 0.441 7.38284 C ? A ? 99 C 1
   ATOM 1654 O A PHE A 99 ? 8.30578 27.01267 8.65740 0.441 9.20370 O ? A ? 99 O 1
   ATOM 1655 CB A PHE A 99 ? 11.01118 27.38356 7.37684 0.441 7.53230 C ? A ? 99 CB 1
   ATOM 1656 CG A PHE A 99 ? 12.11723 27.57817 6.37352 0.441 6.50693 C ? A ? 99 CG 1
   ATOM 1657 CD1 A PHE A 99 ? 12.23381 28.75909 5.68436 0.441 6.52569 C ? A ? 99 CD1 1
   ATOM 1658 CD2 A PHE A 99 ? 13.07484 26.58589 6.18973 0.441 7.86259 C ? A ? 99 CD2 1
   ATOM 1659 CE1 A PHE A 99 ? 13.32533 28.94636 4.76561 0.441 7.80170 C ? A ? 99 CE1 1
   ATOM 1660 CE2 A PHE A 99 ? 14.12456 26.75361 5.28646 0.441 7.22321 C ? A ? 99 CE2 1
   ATOM 1661 CZ A PHE A 99 ? 14.24747 27.89846 4.60540 0.441 7.06762 C ? A ? 99 CZ 1
   ATOM 1662 H A PHE A 99 ? 8.75923 28.59324 6.57716 0.441 7.74627 H ? A ? 99 H 1
   ATOM 1663 HA A PHE A 99 ? 9.92519 26.16522 6.11222 0.441 8.46574 H ? A ? 99 HA 1
   ATOM 1664 HB2 A PHE A 99 ? 10.83279 28.24094 7.79395 0.441 9.04212 H ? A ? 99 HB2 1
   ATOM 1665 HB3 A PHE A 99 ? 11.32039 26.74893 8.04207 0.441 9.04212 H ? A ? 99 HB3 1
   ATOM 1666 HD1 A PHE A 99 ? 11.60919 29.43642 5.81074 0.441 7.83420 H ? A ? 99 HD1 1
   ATOM 1667 HD2 A PHE A 99 ? 13.01408 25.79660 6.67781 0.441 9.43847 H ? A ? 99 HD2 1
   ATOM 1668 HE1 A PHE A 99 ? 13.41799 29.74030 4.29025 0.441 9.36541 H ? A ? 99 HE1 1
   ATOM 1669 HE2 A PHE A 99 ? 14.73998 26.06838 5.15751 0.441 8.67121 H ? A ? 99 HE2 1
   ATOM 1670 HZ A PHE A 99 ? 14.95758 28.00284 4.01401 0.441 8.48450 H ? A ? 99 HZ 1
   ATOM 1671 N B PHE A 99 ? 9.02877 27.94776 6.06798 0.559 6.71370 N ? A ? 99 N 1
   ATOM 1672 CA B PHE A 99 ? 9.73926 26.84447 6.73715 0.559 7.00258 C ? A ? 99 CA 1
   ATOM 1673 C B PHE A 99 ? 8.86497 26.25737 7.84605 0.559 7.37225 C ? A ? 99 C 1
   ATOM 1674 O B PHE A 99 ? 8.31427 27.02244 8.62688 0.559 9.25730 O ? A ? 99 O 1
   ATOM 1675 CB B PHE A 99 ? 11.04197 27.32631 7.36219 0.559 7.52599 C ? A ? 99 CB 1
   ATOM 1676 CG B PHE A 99 ? 12.08656 27.72752 6.34507 0.559 6.49468 C ? A ? 99 CG 1
   ATOM 1677 CD1 B PHE A 99 ? 12.13665 29.02047 5.92879 0.559 6.32550 C ? A ? 99 CD1 1
   ATOM 1678 CD2 B PHE A 99 ? 13.07445 26.85316 5.94381 0.559 8.01137 C ? A ? 99 CD2 1
   ATOM 1679 CE1 B PHE A 99 ? 13.11407 29.49062 5.06731 0.559 7.66913 C ? A ? 99 CE1 1
   ATOM 1680 CE2 B PHE A 99 ? 14.09534 27.29682 5.04276 0.559 6.11857 C ? A ? 99 CE2 1
   ATOM 1681 CZ B PHE A 99 ? 14.06302 28.60258 4.57692 0.559 7.75442 C ? A ? 99 CZ 1
   ATOM 1682 H B PHE A 99 ? 8.81565 28.61106 6.57217 0.559 8.05980 H ? A ? 99 H 1
   ATOM 1683 HA B PHE A 99 ? 9.92517 26.15795 6.07759 0.559 8.40646 H ? A ? 99 HA 1
   ATOM 1684 HB2 B PHE A 99 ? 10.85542 28.09953 7.91737 0.559 9.03455 H ? A ? 99 HB2 1
   ATOM 1685 HB3 B PHE A 99 ? 11.41282 26.61141 7.90282 0.559 9.03455 H ? A ? 99 HB3 1
   ATOM 1686 HD1 B PHE A 99 ? 11.48863 29.61325 6.23467 0.559 7.59396 H ? A ? 99 HD1 1
   ATOM 1687 HD2 B PHE A 99 ? 13.07776 25.97766 6.25749 0.559 9.61701 H ? A ? 99 HD2 1
   ATOM 1688 HE1 B PHE A 99 ? 13.13469 30.38716 4.82095 0.559 9.20632 H ? A ? 99 HE1 1
   ATOM 1689 HE2 B PHE A 99 ? 14.77087 26.71705 4.77365 0.559 7.34565 H ? A ? 99 HE2 1
   ATOM 1690 HZ B PHE A 99 ? 14.67624 28.88353 3.93666 0.559 9.30867 H ? A ? 99 HZ 1
   ATOM 1691 N . ASP A 100 ? 8.76137 24.93362 7.92601 1.000 6.02347 N ? A ? 100 N 1
   ATOM 1692 CA . ASP A 100 ? 8.09820 24.22665 9.03782 1.000 6.40302 C ? A ? 100 CA 1
   ATOM 1693 C . ASP A 100 ? 9.25376 23.90085 9.96247 1.000 8.35549 C ? A ? 100 C 1
   ATOM 1694 O . ASP A 100 ? 10.09679 23.08915 9.59265 1.000 9.12421 O ? A ? 100 O 1
   ATOM 1695 CB . ASP A 100 ? 7.39895 22.97233 8.50045 1.000 9.27294 C ? A ? 100 CB 1
   ATOM 1696 CG . ASP A 100 ? 6.84424 22.11616 9.55358 1.000 15.12256 C ? A ? 100 CG 1
   ATOM 1697 OD1 . ASP A 100 ? 7.21074 22.18297 10.73453 1.000 12.81281 O ? A ? 100 OD1 1
   ATOM 1698 OD2 . ASP A 100 ? 5.96135 21.34035 9.17133 1.000 20.63619 O ? A ? 100 OD2 1
   ATOM 1699 HA . ASP A 100 ? 7.41831 24.74417 9.49697 1.000 7.68699 H ? A ? 100 HA 1
   ATOM 1700 HB2 . ASP A 100 ? 6.66831 23.24397 7.92315 1.000 11.13090 H ? A ? 100 HB2 1
   ATOM 1701 HB3 . ASP A 100 ? 8.04096 22.44670 7.99801 1.000 11.13090 H ? A ? 100 HB3 1
   ATOM 1702 H A ASP A 100 ? 9.07606 24.40359 7.32631 0.441 7.23153 H ? A ? 100 H 1
   ATOM 1703 H B ASP A 100 ? 9.07587 24.39771 7.33146 0.559 7.23153 H ? A ? 100 H 1
   ATOM 1704 N . VAL A 101 ? 9.34602 24.61482 11.09396 1.000 7.59473 N ? A ? 101 N 1
   ATOM 1705 CA . VAL A 101 ? 10.47046 24.49693 12.01341 1.000 6.08861 C ? A ? 101 CA 1
   ATOM 1706 C . VAL A 101 ? 9.99658 23.88555 13.32946 1.000 7.31400 C ? A ? 101 C 1
   ATOM 1707 O . VAL A 101 ? 9.01828 24.33646 13.88576 1.000 6.89965 O ? A ? 101 O 1
   ATOM 1708 CB . VAL A 101 ? 11.11305 25.86096 12.25748 1.000 10.99737 C ? A ? 101 CB 1
   ATOM 1709 CG1 . VAL A 101 ? 12.34203 25.69028 13.18113 1.000 12.81442 C ? A ? 101 CG1 1
   ATOM 1710 CG2 . VAL A 101 ? 11.54526 26.45538 10.92896 1.000 12.45137 C ? A ? 101 CG2 1
   ATOM 1711 H . VAL A 101 ? 8.75345 25.18360 11.34882 1.000 9.11704 H ? A ? 101 H 1
   ATOM 1712 HA . VAL A 101 ? 11.12489 23.89226 11.63000 1.000 7.30970 H ? A ? 101 HA 1
   ATOM 1713 HB . VAL A 101 ? 10.47843 26.45911 12.68219 1.000 13.20021 H ? A ? 101 HB 1
   ATOM 1714 HG11 . VAL A 101 ? 12.83650 26.52441 13.20621 1.000 15.38067 H ? A ? 101 HG11 1
   ATOM 1715 HG12 . VAL A 101 ? 12.03740 25.45940 14.07265 1.000 15.38067 H ? A ? 101 HG12 1
   ATOM 1716 HG13 . VAL A 101 ? 12.90490 24.98249 12.83027 1.000 15.38067 H ? A ? 101 HG13 1
   ATOM 1717 HG21 . VAL A 101 ? 12.03467 27.27633 11.09459 1.000 14.94500 H ? A ? 101 HG21 1
   ATOM 1718 HG22 . VAL A 101 ? 12.11367 25.81867 10.46809 1.000 14.94500 H ? A ? 101 HG22 1
   ATOM 1719 HG23 . VAL A 101 ? 10.75714 26.64208 10.39519 1.000 14.94500 H ? A ? 101 HG23 1
   ATOM 1720 N . GLU A 102 ? 10.74732 22.91271 13.85781 1.000 8.75727 N ? A ? 102 N 1
   ATOM 1721 CA . GLU A 102 ? 10.54244 22.45613 15.22314 1.000 8.17126 C ? A ? 102 CA 1
   ATOM 1722 C . GLU A 102 ? 11.80614 22.75509 16.03388 1.000 8.46446 C ? A ? 102 C 1
   ATOM 1723 O . GLU A 102 ? 12.92847 22.37581 15.64678 1.000 9.60620 O ? A ? 102 O 1
   ATOM 1724 CB . GLU A 102 ? 10.17654 20.92476 15.18845 1.000 10.94640 C ? A ? 102 CB 1
   ATOM 1725 CG . GLU A 102 ? 9.86251 20.36984 16.50318 1.000 20.43247 C ? A ? 102 CG 1
   ATOM 1726 CD . GLU A 102 ? 9.34522 18.92264 16.47409 1.000 25.48175 C ? A ? 102 CD 1
   ATOM 1727 OE1 . GLU A 102 ? 8.74836 18.52448 17.48181 1.000 31.96084 O ? A ? 102 OE1 1
   ATOM 1728 OE2 . GLU A 102 ? 9.66606 18.20904 15.51177 1.000 29.90358 O ? A ? 102 OE2 1
   ATOM 1729 H . GLU A 102 ? 11.37939 22.50667 13.43922 1.000 10.51208 H ? A ? 102 H 1
   ATOM 1730 HA . GLU A 102 ? 9.82157 22.92587 15.67101 1.000 9.80887 H ? A ? 102 HA 1
   ATOM 1731 HB2 . GLU A 102 ? 9.39965 20.80174 14.62081 1.000 13.13904 H ? A ? 102 HB2 1
   ATOM 1732 HB3 . GLU A 102 ? 10.93076 20.43116 14.83011 1.000 13.13904 H ? A ? 102 HB3 1
   ATOM 1733 HG2 . GLU A 102 ? 10.66695 20.38262 17.04505 1.000 24.52232 H ? A ? 102 HG2 1
   ATOM 1734 HG3 . GLU A 102 ? 9.17636 20.91803 16.91500 1.000 24.52232 H ? A ? 102 HG3 1
   ATOM 1735 N . LEU A 103 ? 11.61516 23.45806 17.13624 1.000 6.87213 N ? A ? 103 N 1
   ATOM 1736 CA . LEU A 103 ? 12.73428 23.79229 18.05130 1.000 7.86595 C ? A ? 103 CA 1
   ATOM 1737 C . LEU A 103 ? 12.89776 22.63151 19.03670 1.000 13.40873 C ? A ? 103 C 1
   ATOM 1738 O . LEU A 103 ? 12.08621 22.45869 19.94491 1.000 14.01530 O ? A ? 103 O 1
   ATOM 1739 CB . LEU A 103 ? 12.44892 25.14578 18.68477 1.000 7.05188 C ? A ? 103 CB 1
   ATOM 1740 CG . LEU A 103 ? 13.58379 25.57824 19.62156 1.000 10.46718 C ? A ? 103 CG 1
   ATOM 1741 CD1 . LEU A 103 ? 14.96432 25.59571 19.01567 1.000 11.02762 C ? A ? 103 CD1 1
   ATOM 1742 CD2 . LEU A 103 ? 13.25538 27.01496 20.30205 1.000 10.37723 C ? A ? 103 CD2 1
   ATOM 1743 H . LEU A 103 ? 10.85147 23.76075 17.39072 1.000 8.24992 H ? A ? 103 H 1
   ATOM 1744 HA . LEU A 103 ? 13.58755 23.86835 17.59628 1.000 9.44251 H ? A ? 103 HA 1
   ATOM 1745 HB2 . LEU A 103 ? 12.35709 25.81282 17.98654 1.000 8.46562 H ? A ? 103 HB2 1
   ATOM 1746 HB3 . LEU A 103 ? 11.62958 25.09100 19.20109 1.000 8.46562 H ? A ? 103 HB3 1
   ATOM 1747 HG . LEU A 103 ? 13.62240 24.88603 20.29998 1.000 12.56397 H ? A ? 103 HG 1
   ATOM 1748 HD11 . LEU A 103 ? 15.57384 26.03218 19.63119 1.000 13.23650 H ? A ? 103 HD11 1
   ATOM 1749 HD12 . LEU A 103 ? 15.25137 24.68275 18.85753 1.000 13.23650 H ? A ? 103 HD12 1
   ATOM 1750 HD13 . LEU A 103 ? 14.93522 26.08317 18.17755 1.000 13.23650 H ? A ? 103 HD13 1
   ATOM 1751 HD21 . LEU A 103 ? 13.99769 27.27191 20.87113 1.000 12.45604 H ? A ? 103 HD21 1
   ATOM 1752 HD22 . LEU A 103 ? 13.13130 27.67493 19.60209 1.000 12.45604 H ? A ? 103 HD22 1
   ATOM 1753 HD23 . LEU A 103 ? 12.44548 26.93654 20.83008 1.000 12.45604 H ? A ? 103 HD23 1
   ATOM 1754 N . LEU A 104 ? 13.93576 21.82298 18.88013 1.000 10.98130 N ? A ? 104 N 1
   ATOM 1755 CA . LEU A 104 ? 14.01706 20.59429 19.65642 1.000 14.45729 C ? A ? 104 CA 1
   ATOM 1756 C . LEU A 104 ? 14.68782 20.83141 20.99720 1.000 12.78407 C ? A ? 104 C 1
   ATOM 1757 O . LEU A 104 ? 14.29849 20.22464 21.97484 1.000 13.36687 O ? A ? 104 O 1
   ATOM 1758 CB . LEU A 104 ? 14.79263 19.51379 18.90851 1.000 12.92608 C ? A ? 104 CB 1
   ATOM 1759 CG . LEU A 104 ? 14.19701 19.20170 17.54138 1.000 13.37835 C ? A ? 104 CG 1
   ATOM 1760 CD1 . LEU A 104 ? 15.22046 18.28627 16.83618 1.000 19.48121 C ? A ? 104 CD1 1
   ATOM 1761 CD2 . LEU A 104 ? 12.88290 18.54886 17.49670 1.000 16.61668 C ? A ? 104 CD2 1
   ATOM 1762 H . LEU A 104 ? 14.59253 21.96008 18.34213 1.000 13.18093 H ? A ? 104 H 1
   ATOM 1763 HA . LEU A 104 ? 13.11495 20.26500 19.79308 1.000 17.35211 H ? A ? 104 HA 1
   ATOM 1764 HB2 . LEU A 104 ? 15.70555 19.81442 18.77780 1.000 15.51466 H ? A ? 104 HB2 1
   ATOM 1765 HB3 . LEU A 104 ? 14.78384 18.69856 19.43409 1.000 15.51466 H ? A ? 104 HB3 1
   ATOM 1766 HG . LEU A 104 ? 14.02988 20.05476 17.11097 1.000 16.05738 H ? A ? 104 HG 1
   ATOM 1767 HD11 . LEU A 104 ? 14.88791 18.06241 15.95289 1.000 23.38081 H ? A ? 104 HD11 1
   ATOM 1768 HD12 . LEU A 104 ? 16.06589 18.75601 16.76209 1.000 23.38081 H ? A ? 104 HD12 1
   ATOM 1769 HD13 . LEU A 104 ? 15.33572 17.47852 17.36074 1.000 23.38081 H ? A ? 104 HD13 1
   ATOM 1770 HD21 . LEU A 104 ? 12.60898 18.45347 16.57108 1.000 19.94338 H ? A ? 104 HD21 1
   ATOM 1771 HD22 . LEU A 104 ? 12.94978 17.67556 17.91355 1.000 19.94338 H ? A ? 104 HD22 1
   ATOM 1772 HD23 . LEU A 104 ? 12.24186 19.09625 17.97663 1.000 19.94338 H ? A ? 104 HD23 1
   ATOM 1773 N . LYS A 105 ? 15.74153 21.62395 21.01891 1.000 14.06581 N ? A ? 105 N 1
   ATOM 1774 CA . LYS A 105 ? 16.47274 21.88731 22.23633 1.000 16.37988 C ? A ? 105 CA 1
   ATOM 1775 C . LYS A 105 ? 17.40923 23.02631 21.99951 1.000 16.48576 C ? A ? 105 C 1
   ATOM 1776 O . LYS A 105 ? 17.67225 23.45310 20.86326 1.000 13.92998 O ? A ? 105 O 1
   ATOM 1777 CB . LYS A 105 ? 17.25415 20.68891 22.78834 1.000 25.00300 C ? A ? 105 CB 1
   ATOM 1778 CG . LYS A 105 ? 18.27849 20.24852 21.94782 1.000 25.07815 C ? A ? 105 CG 1
   ATOM 1779 CD . LYS A 105 ? 18.68346 18.74621 22.29550 1.000 35.79830 C ? A ? 105 CD 1
   ATOM 1780 CE . LYS A 105 ? 19.78140 18.18169 21.35578 1.000 53.85751 C ? A ? 105 CE 1
   ATOM 1781 NZ . LYS A 105 ? 19.29391 17.27611 20.19823 1.000 60.17886 N ? A ? 105 NZ 1
   ATOM 1782 H . LYS A 105 ? 16.05726 22.02761 20.32827 1.000 16.88234 H ? A ? 105 H 1
   ATOM 1783 HA . LYS A 105 ? 15.81560 22.13148 22.90674 1.000 19.65922 H ? A ? 105 HA 1
   ATOM 1784 HB2 . LYS A 105 ? 17.65413 20.94111 23.63529 1.000 30.00696 H ? A ? 105 HB2 1
   ATOM 1785 HB3 . LYS A 105 ? 16.63983 19.94963 22.91864 1.000 30.00696 H ? A ? 105 HB3 1
   ATOM 1786 HG2 . LYS A 105 ? 17.97881 20.28179 21.02587 1.000 30.09714 H ? A ? 105 HG2 1
   ATOM 1787 HG3 . LYS A 105 ? 19.05874 20.81306 22.06362 1.000 30.09714 H ? A ? 105 HG3 1
   ATOM 1788 HD2 . LYS A 105 ? 19.02187 18.71273 23.20393 1.000 42.96132 H ? A ? 105 HD2 1
   ATOM 1789 HD3 . LYS A 105 ? 17.89971 18.18076 22.21238 1.000 42.96132 H ? A ? 105 HD3 1
   ATOM 1790 HE2 . LYS A 105 ? 20.24978 18.92997 20.95378 1.000 64.63238 H ? A ? 105 HE2 1
   ATOM 1791 HE3 . LYS A 105 ? 20.39551 17.65440 21.89032 1.000 64.63238 H ? A ? 105 HE3 1
   ATOM 1792 HZ1 . LYS A 105 ? 19.98639 17.01428 19.70425 1.000 72.21799 H ? A ? 105 HZ1 1
   ATOM 1793 HZ2 . LYS A 105 ? 18.88460 16.55699 20.52601 1.000 72.21799 H ? A ? 105 HZ2 1
   ATOM 1794 HZ3 . LYS A 105 ? 18.72325 17.72299 19.68177 1.000 72.21799 H ? A ? 105 HZ3 1
   ATOM 1795 N . LEU A 106 ? 17.78914 23.61466 23.11756 1.000 15.74875 N ? A ? 106 N 1
   ATOM 1796 CA . LEU A 106 ? 18.85071 24.60435 23.17096 1.000 15.36072 C ? A ? 106 CA 1
   ATOM 1797 C . LEU A 106 ? 20.00219 24.02326 23.94049 1.000 23.39773 C ? A ? 106 C 1
   ATOM 1798 O . LEU A 106 ? 19.80575 23.44299 25.02029 1.000 19.62464 O ? A ? 106 O 1
   ATOM 1799 CB . LEU A 106 ? 18.44385 25.86993 23.84219 1.000 13.58231 C ? A ? 106 CB 1
   ATOM 1800 CG . LEU A 106 ? 17.17807 26.46927 23.32618 1.000 17.54015 C ? A ? 106 CG 1
   ATOM 1801 CD1 . LEU A 106 ? 16.70098 27.62198 24.23984 1.000 25.32862 C ? A ? 106 CD1 1
   ATOM 1802 CD2 . LEU A 106 ? 17.64873 27.05196 22.01003 1.000 19.30309 C ? A ? 106 CD2 1
   ATOM 1803 H . LEU A 106 ? 17.43597 23.45265 23.88478 1.000 18.90186 H ? A ? 106 H 1
   ATOM 1804 HA . LEU A 106 ? 19.10395 24.81733 22.25914 1.000 18.43623 H ? A ? 106 HA 1
   ATOM 1805 HB2 . LEU A 106 ? 18.31913 25.69062 24.78728 1.000 16.30214 H ? A ? 106 HB2 1
   ATOM 1806 HB3 . LEU A 106 ? 19.14933 26.52415 23.71891 1.000 16.30214 H ? A ? 106 HB3 1
   ATOM 1807 HG . LEU A 106 ? 16.43811 25.84507 23.26502 1.000 21.05154 H ? A ? 106 HG 1
   ATOM 1808 HD11 . LEU A 106 ? 15.81798 27.90550 23.95552 1.000 30.39771 H ? A ? 106 HD11 1
   ATOM 1809 HD12 . LEU A 106 ? 16.66769 27.30554 25.15617 1.000 30.39771 H ? A ? 106 HD12 1
   ATOM 1810 HD13 . LEU A 106 ? 17.32495 28.36113 24.16760 1.000 30.39771 H ? A ? 106 HD13 1
   ATOM 1811 HD21 . LEU A 106 ? 16.91174 27.52446 21.59231 1.000 23.16708 H ? A ? 106 HD21 1
   ATOM 1812 HD22 . LEU A 106 ? 18.38089 27.66512 22.17995 1.000 23.16708 H ? A ? 106 HD22 1
   ATOM 1813 HD23 . LEU A 106 ? 17.94800 26.33083 21.43443 1.000 23.16708 H ? A ? 106 HD23 1
   ATOM 1814 N . GLU A 107 ? 21.18461 24.19079 23.37306 1.000 20.01002 N ? A ? 107 N 1
   ATOM 1815 CA . GLU A 107 ? 22.40244 23.72875 23.99250 1.000 27.74553 C ? A ? 107 CA 1
   ATOM 1816 C . GLU A 107 ? 23.52891 24.73495 23.79859 1.000 26.72880 C ? A ? 107 C 1
   ATOM 1817 O . GLU A 107 ? 23.39458 25.97751 23.62308 1.000 25.04974 O ? A ? 107 O 1
   ATOM 1818 CB . GLU A 107 ? 22.78908 22.38691 23.42719 1.000 32.23748 C ? A ? 107 CB 1
   ATOM 1819 CG . GLU A 107 ? 23.15481 22.30731 22.00580 1.000 31.41384 C ? A ? 107 CG 1
   ATOM 1820 CD . GLU A 107 ? 23.22478 20.86753 21.51678 1.000 36.19306 C ? A ? 107 CD 1
   ATOM 1821 OE1 . GLU A 107 ? 22.54349 19.97847 22.09343 1.000 40.35140 O ? A ? 107 OE1 1
   ATOM 1822 OE2 . GLU A 107 ? 23.90162 20.63195 20.50326 1.000 38.20318 O ? A ? 107 OE2 1
   ATOM 1823 H . GLU A 107 ? 21.30596 24.57719 22.61439 1.000 24.01539 H ? A ? 107 H 1
   ATOM 1824 HA . GLU A 107 ? 22.26269 23.62588 24.94686 1.000 33.29800 H ? A ? 107 HA 1
   ATOM 1825 HB2 . GLU A 107 ? 23.55569 22.06696 23.92802 1.000 38.68834 H ? A ? 107 HB2 1
   ATOM 1826 HB3 . GLU A 107 ? 22.03697 21.78739 23.55290 1.000 38.68834 H ? A ? 107 HB3 1
   ATOM 1827 HG2 . GLU A 107 ? 22.48877 22.77504 21.47804 1.000 37.69997 H ? A ? 107 HG2 1
   ATOM 1828 HG3 . GLU A 107 ? 24.02584 22.71425 21.87694 1.000 37.69997 H ? A ? 107 HG3 1
   HETATM 1829 C1 . FK5 A 108 ? 19.93104 29.38998 5.92652 1.000 10.95578 C ? B ? . C1 1
   HETATM 1830 C10 . FK5 A 108 ? 18.78628 25.62660 2.27142 1.000 9.70212 C ? B ? . C10 1
   HETATM 1831 C11 . FK5 A 108 ? 19.44699 26.68940 1.43688 1.000 10.30503 C ? B ? . C11 1
   HETATM 1832 C12 . FK5 A 108 ? 20.78985 26.21956 0.79654 1.000 10.49927 C ? B ? . C12 1
   HETATM 1833 C13 . FK5 A 108 ? 21.66022 25.66024 1.90909 1.000 13.40338 C ? B ? . C13 1
   HETATM 1834 C14 . FK5 A 108 ? 20.89597 24.52495 2.49957 1.000 10.32398 C ? B ? . C14 1
   HETATM 1835 C15 . FK5 A 108 ? 21.57387 23.62963 3.52353 1.000 14.74958 C ? B ? . C15 1
   HETATM 1836 C16 . FK5 A 108 ? 22.35025 24.41116 4.57915 1.000 10.04457 C ? B ? . C16 1
   HETATM 1837 C17 . FK5 A 108 ? 22.79467 23.54216 5.79202 1.000 13.15509 C ? B ? . C17 1
   HETATM 1838 C18 . FK5 A 108 ? 24.29321 23.04969 5.55927 1.000 13.02410 C ? B ? . C18 1
   HETATM 1839 C19 . FK5 A 108 ? 25.36885 24.05522 5.82933 1.000 12.94054 C ? B ? . C19 1
   HETATM 1840 C2 . FK5 A 108 ? 18.59488 28.78552 5.72037 1.000 6.08653 C ? B ? . C2 1
   HETATM 1841 C20 . FK5 A 108 ? 25.86407 24.72121 4.80177 1.000 11.23622 C ? B ? . C20 1
   HETATM 1842 C21 . FK5 A 108 ? 26.86969 25.80193 4.81965 1.000 13.26625 C ? B ? . C21 1
   HETATM 1843 C22 . FK5 A 108 ? 26.10001 27.10161 4.68730 1.000 11.62461 C ? B ? . C22 1
   HETATM 1844 C23 . FK5 A 108 ? 25.68924 27.73718 5.99431 1.000 12.73349 C ? B ? . C23 1
   HETATM 1845 C24 . FK5 A 108 ? 24.63153 28.78811 5.67236 1.000 14.08701 C ? B ? . C24 1
   HETATM 1846 C25 . FK5 A 108 ? 23.22900 28.19812 5.66018 1.000 11.10995 C ? B ? . C25 1
   HETATM 1847 C26 . FK5 A 108 ? 22.23935 29.36575 5.45692 1.000 6.60916 C ? B ? . C26 1
   HETATM 1848 C27 . FK5 A 108 ? 22.54376 30.20617 4.28817 1.000 8.98417 C ? B ? . C27 1
   HETATM 1849 C28 . FK5 A 108 ? 22.74189 31.48171 4.50404 1.000 10.91298 C ? B ? . C28 1
   HETATM 1850 C29 . FK5 A 108 ? 23.21872 32.45259 3.45474 1.000 9.64381 C ? B ? . C29 1
   HETATM 1851 C3 . FK5 A 108 ? 17.80276 28.71406 7.05857 1.000 7.19135 C ? B ? . C3 1
   HETATM 1852 C30 . FK5 A 108 ? 22.36225 33.72950 3.60016 1.000 9.49967 C ? B ? . C30 1
   HETATM 1853 C31 . FK5 A 108 ? 22.99039 34.82026 2.79892 1.000 11.29716 C ? B ? . C31 1
   HETATM 1854 C32 . FK5 A 108 ? 24.38838 35.13035 3.24555 1.000 13.39019 C ? B ? . C32 1
   HETATM 1855 C33 . FK5 A 108 ? 25.19324 33.85529 2.87853 1.000 14.79367 C ? B ? . C33 1
   HETATM 1856 C34 . FK5 A 108 ? 24.69703 32.74718 3.82336 1.000 12.97557 C ? B ? . C34 1
   HETATM 1857 C35 . FK5 A 108 ? 18.49274 27.31941 0.38098 1.000 11.77808 C ? B ? . C35 1
   HETATM 1858 C36 . FK5 A 108 ? 21.94624 22.34364 6.20691 1.000 11.43089 C ? B ? . C36 1
   HETATM 1859 C37 . FK5 A 108 ? 25.68183 24.31405 7.24982 1.000 16.25691 C ? B ? . C37 1
   HETATM 1860 C38 . FK5 A 108 ? 27.86029 25.67464 3.67058 1.000 12.82174 C ? B ? . C38 1
   HETATM 1861 C39 . FK5 A 108 ? 28.97384 26.69015 3.63107 1.000 21.39225 C ? B ? . C39 1
   HETATM 1862 C4 . FK5 A 108 ? 18.38719 27.59196 7.98303 1.000 8.34666 C ? B ? . C4 1
   HETATM 1863 C40 . FK5 A 108 ? 29.63828 27.13496 4.69122 1.000 26.14116 C ? B ? . C40 1
   HETATM 1864 C41 . FK5 A 108 ? 22.74651 27.47216 6.92624 1.000 11.39323 C ? B ? . C41 1
   HETATM 1865 C42 . FK5 A 108 ? 22.56022 29.54927 2.95702 1.000 12.12237 C ? B ? . C42 1
   HETATM 1866 C43 . FK5 A 108 ? 23.93571 25.94588 1.31818 1.000 13.43902 C ? B ? . C43 1
   HETATM 1867 C44 . FK5 A 108 ? 21.63480 21.39140 2.52288 1.000 16.90828 C ? B ? . C44 1
   HETATM 1868 C45 . FK5 A 108 ? 21.18030 36.18322 1.99991 1.000 15.12396 C ? B ? . C45 1
   HETATM 1869 C5 . FK5 A 108 ? 18.24883 26.28175 7.28853 1.000 7.77105 C ? B ? . C5 1
   HETATM 1870 C6 . FK5 A 108 ? 18.94405 26.29148 5.94476 1.000 8.83934 C ? B ? . C6 1
   HETATM 1871 C8 . FK5 A 108 ? 17.93903 27.40124 3.97082 1.000 8.86743 C ? B ? . C8 1
   HETATM 1872 C9 . FK5 A 108 ? 17.70085 26.13862 3.24687 1.000 7.19349 C ? B ? . C9 1
   HETATM 1873 N7 . FK5 A 108 ? 18.48008 27.45279 5.16704 1.000 6.71148 N ? B ? . N7 1
   HETATM 1874 O1 . FK5 A 108 ? 20.88902 28.71905 5.37537 1.000 6.78958 O ? B ? . O1 1
   HETATM 1875 O10 . FK5 A 108 ? 24.80831 29.77608 6.68770 1.000 19.66676 O ? B ? . O10 1
   HETATM 1876 O11 . FK5 A 108 ? 22.22554 36.01606 2.93336 1.000 14.71185 O ? B ? . O11 1
   HETATM 1877 O12 . FK5 A 108 ? 24.93247 36.21417 2.44891 1.000 15.69324 O ? B ? . O12 1
   HETATM 1878 O2 . FK5 A 108 ? 20.08373 30.41491 6.50322 1.000 8.77181 O ? B ? . O2 1
   HETATM 1879 O3 . FK5 A 108 ? 17.50475 28.38905 3.31928 1.000 10.87705 O ? B ? . O3 1
   HETATM 1880 O4 . FK5 A 108 ? 16.70766 25.49686 3.42164 1.000 9.61484 O ? B ? . O4 1
   HETATM 1881 O5 . FK5 A 108 ? 19.73265 25.07172 3.21157 1.000 9.48734 O ? B ? . O5 1
   HETATM 1882 O6 . FK5 A 108 ? 18.33132 24.57617 1.50909 1.000 8.60838 O ? B ? . O6 1
   HETATM 1883 O7 . FK5 A 108 ? 22.82867 25.01807 1.32733 1.000 13.25671 O ? B ? . O7 1
   HETATM 1884 O8 . FK5 A 108 ? 22.39545 22.56401 2.97905 1.000 13.27333 O ? B ? . O8 1
   HETATM 1885 O9 . FK5 A 108 ? 25.75890 27.55704 3.59862 1.000 14.54523 O ? B ? . O9 1
   HETATM 1886 H2 . FK5 A 108 ? 18.26605 29.39512 5.04129 1.000 7.30720 H ? B ? . H2 1
   HETATM 1887 H11 . FK5 A 108 ? 19.69610 27.35018 2.10187 1.000 12.36940 H ? B ? . H11 1
   HETATM 1888 H13 . FK5 A 108 ? 21.88576 26.34206 2.56114 1.000 16.08742 H ? B ? . H13 1
   HETATM 1889 H14 . FK5 A 108 ? 20.67444 23.99890 1.71530 1.000 12.39214 H ? B ? . H14 1
   HETATM 1890 H15 . FK5 A 108 ? 20.86051 23.10626 3.92117 1.000 17.70286 H ? B ? . H15 1
   HETATM 1891 H17 . FK5 A 108 ? 22.68696 24.13536 6.55190 1.000 15.78947 H ? B ? . H17 1
   HETATM 1892 H20 . FK5 A 108 ? 25.55190 24.49423 3.95564 1.000 13.48683 H ? B ? . H20 1
   HETATM 1893 H21 . FK5 A 108 ? 27.34686 25.78356 5.66397 1.000 15.92286 H ? B ? . H21 1
   HETATM 1894 H24 . FK5 A 108 ? 24.78314 29.16345 4.79086 1.000 16.90777 H ? B ? . H24 1
   HETATM 1895 H25 . FK5 A 108 ? 23.25448 27.53950 4.94851 1.000 13.33531 H ? B ? . H25 1
   HETATM 1896 H26 . FK5 A 108 ? 22.17356 29.94464 6.23246 1.000 7.93436 H ? B ? . H26 1
   HETATM 1897 H28 . FK5 A 108 ? 22.58412 31.83016 5.35174 1.000 13.09893 H ? B ? . H28 1
   HETATM 1898 H29 . FK5 A 108 ? 23.17174 32.13826 2.53828 1.000 11.57593 H ? B ? . H29 1
   HETATM 1899 H31 . FK5 A 108 ? 22.98534 34.50049 1.88315 1.000 13.55996 H ? B ? . H31 1
   HETATM 1900 H32 . FK5 A 108 ? 24.38727 35.39135 4.17978 1.000 16.07159 H ? B ? . H32 1
   HETATM 1901 H39 . FK5 A 108 ? 29.19485 27.01580 2.78846 1.000 25.67406 H ? B ? . H39 1
   HETATM 1902 H41 . FK5 A 108 ? 17.91689 27.57088 8.83113 1.000 10.01936 H ? B ? . H41 1
   HETATM 1903 H42 . FK5 A 108 ? 19.32036 27.76688 8.18179 1.000 10.01936 H ? B ? . H42 1
   HETATM 1904 H51 . FK5 A 108 ? 17.31341 26.06925 7.14456 1.000 9.32862 H ? B ? . H51 1
   HETATM 1905 H52 . FK5 A 108 ? 18.63315 25.56988 7.82373 1.000 9.32862 H ? B ? . H52 1
   HETATM 1906 H61 . FK5 A 108 ? 18.75294 25.48116 5.44702 1.000 10.61057 H ? B ? . H61 1
   HETATM 1907 H62 . FK5 A 108 ? 19.90676 26.34610 6.05023 1.000 10.61057 H ? B ? . H62 1
   HETATM 1908 HO6 . FK5 A 108 ? 17.48173 24.57809 1.48271 1.000 10.33342 H ? B ? . HO6 1
   HETATM 1909 H121 . FK5 A 108 ? 21.25658 26.94968 0.36066 1.000 12.60249 H ? B ? . H121 1
   HETATM 1910 H122 . FK5 A 108 ? 20.64882 25.53436 0.12459 1.000 12.60249 H ? B ? . H122 1
   HETATM 1911 H161 . FK5 A 108 ? 21.79696 25.14621 4.88650 1.000 12.05685 H ? B ? . H161 1
   HETATM 1912 H162 . FK5 A 108 ? 23.12781 24.80907 4.15729 1.000 12.05685 H ? B ? . H162 1
   HETATM 1913 H181 . FK5 A 108 ? 24.36278 22.74915 4.63963 1.000 15.63228 H ? B ? . H181 1
   HETATM 1914 H182 . FK5 A 108 ? 24.43631 22.27244 6.12169 1.000 15.63228 H ? B ? . H182 1
   HETATM 1915 H231 . FK5 A 108 ? 26.46266 28.12437 6.43343 1.000 15.28355 H ? B ? . H231 1
   HETATM 1916 H232 . FK5 A 108 ? 25.35373 27.06007 6.60247 1.000 15.28355 H ? B ? . H232 1
   HETATM 1917 H301 . FK5 A 108 ? 21.45683 33.57834 3.28667 1.000 11.40297 H ? B ? . H301 1
   HETATM 1918 H302 . FK5 A 108 ? 22.30211 34.00386 4.52861 1.000 11.40297 H ? B ? . H302 1
   HETATM 1919 H31A . FK5 A 108 ? 16.87068 28.54404 6.85071 1.000 8.63298 H ? B ? . H31A 1
   HETATM 1920 H32A . FK5 A 108 ? 17.85462 29.58201 7.48855 1.000 8.63298 H ? B ? . H32A 1
   HETATM 1921 H331 . FK5 A 108 ? 25.04622 33.62219 1.94851 1.000 17.75577 H ? B ? . H331 1
   HETATM 1922 H332 . FK5 A 108 ? 26.14368 34.01606 2.98682 1.000 17.75577 H ? B ? . H332 1
   HETATM 1923 H341 . FK5 A 108 ? 25.23222 31.94346 3.73111 1.000 15.57404 H ? B ? . H341 1
   HETATM 1924 H342 . FK5 A 108 ? 24.76274 33.02324 4.75092 1.000 15.57404 H ? B ? . H342 1
   HETATM 1925 H351 . FK5 A 108 ? 18.20704 26.66529 -0.27583 1.000 14.13706 H ? B ? . H351 1
   HETATM 1926 H352 . FK5 A 108 ? 18.92277 28.04350 -0.10033 1.000 14.13706 H ? B ? . H352 1
   HETATM 1927 H353 . FK5 A 108 ? 17.69365 27.68172 0.79460 1.000 14.13706 H ? B ? . H353 1
   HETATM 1928 H361 . FK5 A 108 ? 22.23903 21.97399 7.05457 1.000 13.72043 H ? B ? . H361 1
   HETATM 1929 H362 . FK5 A 108 ? 21.01170 22.58377 6.30625 1.000 13.72043 H ? B ? . H362 1
   HETATM 1930 H363 . FK5 A 108 ? 21.99080 21.62955 5.55195 1.000 13.72043 H ? B ? . H363 1
   HETATM 1931 H371 . FK5 A 108 ? 24.88226 24.60619 7.71483 1.000 19.51166 H ? B ? . H371 1
   HETATM 1932 H372 . FK5 A 108 ? 26.01342 23.50332 7.66655 1.000 19.51166 H ? B ? . H372 1
   HETATM 1933 H373 . FK5 A 108 ? 26.35883 25.00549 7.31674 1.000 19.51166 H ? B ? . H373 1
   HETATM 1934 H381 . FK5 A 108 ? 28.24644 24.78603 3.71703 1.000 15.38945 H ? B ? . H381 1
   HETATM 1935 H382 . FK5 A 108 ? 27.35524 25.72932 2.84424 1.000 15.38945 H ? B ? . H382 1
   HETATM 1936 H401 . FK5 A 108 ? 30.32312 27.75829 4.62192 1.000 31.37275 H ? B ? . H401 1
   HETATM 1937 H402 . FK5 A 108 ? 29.44070 26.81834 5.54635 1.000 31.37275 H ? B ? . H402 1
   HETATM 1938 H411 . FK5 A 108 ? 22.78380 28.06219 7.69524 1.000 13.67524 H ? B ? . H411 1
   HETATM 1939 H412 . FK5 A 108 ? 23.30176 26.69848 7.11068 1.000 13.67524 H ? B ? . H412 1
   HETATM 1940 H413 . FK5 A 108 ? 21.83094 27.16977 6.82040 1.000 13.67524 H ? B ? . H413 1
   HETATM 1941 H421 . FK5 A 108 ? 23.41769 29.12475 2.79757 1.000 14.55021 H ? B ? . H421 1
   HETATM 1942 H422 . FK5 A 108 ? 22.40571 30.19999 2.25445 1.000 14.55021 H ? B ? . H422 1
   HETATM 1943 H423 . FK5 A 108 ? 21.86858 28.87129 2.90349 1.000 14.55021 H ? B ? . H423 1
   HETATM 1944 H431 . FK5 A 108 ? 23.74837 26.69919 0.73652 1.000 16.13018 H ? B ? . H431 1
   HETATM 1945 H432 . FK5 A 108 ? 24.10540 26.28773 2.20994 1.000 16.13018 H ? B ? . H432 1
   HETATM 1946 H433 . FK5 A 108 ? 24.74425 25.51356 1.00153 1.000 16.13018 H ? B ? . H433 1
   HETATM 1947 H441 . FK5 A 108 ? 21.09341 21.01562 3.23462 1.000 20.29330 H ? B ? . H441 1
   HETATM 1948 H442 . FK5 A 108 ? 21.03436 21.61421 1.79437 1.000 20.29330 H ? B ? . H442 1
   HETATM 1949 H443 . FK5 A 108 ? 22.21950 20.68549 2.20552 1.000 20.29330 H ? B ? . H443 1
   HETATM 1950 H451 . FK5 A 108 ? 20.67342 36.98835 2.18897 1.000 18.15212 H ? B ? . H451 1
   HETATM 1951 H452 . FK5 A 108 ? 21.53024 36.25369 1.09798 1.000 18.15212 H ? B ? . H452 1
   HETATM 1952 H453 . FK5 A 108 ? 20.56911 35.43048 2.02679 1.000 18.15212 H ? B ? . H453 1
   HETATM 1953 HO10 . FK5 A 108 ? 25.63423 29.80787 6.88606 1.000 23.60347 H ? B ? . HO10 1
   HETATM 1954 HO12 . FK5 A 108 ? 25.72598 36.36145 2.71565 1.000 18.83525 H ? B ? . HO12 1
   HETATM 1955 O . HOH A 401 ? 14.62428 34.97321 -3.60882 1.000 8.54373 O ? C ? . O 1
   HETATM 1956 O . HOH A 402 ? 14.12347 34.21590 -0.92278 1.000 9.20831 O ? C ? . O 1
   HETATM 1957 O . HOH A 403 ? 5.95586 30.04657 22.77164 1.000 12.70805 O ? C ? . O 1
   HETATM 1958 O . HOH A 404 ? 19.81748 39.71033 -3.66135 1.000 9.94450 O ? C ? . O 1
   HETATM 1959 O . HOH A 405 ? 4.10251 28.15705 22.22299 0.994 13.30642 O ? C ? . O 1
   HETATM 1960 O . HOH A 406 ? 3.77784 31.77391 8.63985 0.853 14.79544 O ? C ? . O 1
   HETATM 1961 O . HOH A 407 ? 23.20270 33.64796 13.37857 1.000 14.08706 O ? C ? . O 1
   HETATM 1963 O . HOH A 409 ? 21.43877 36.52581 10.41397 1.000 24.41520 O ? C ? . O 1
   HETATM 1964 O . HOH A 410 ? 19.41360 22.85207 -9.58901 0.925 20.49764 O ? C ? . O 1
   HETATM 1965 O . HOH A 411 ? 7.44237 31.10114 -2.86565 0.839 13.57902 O ? C ? . O 1
   HETATM 1966 O . HOH A 412 ? 24.76311 22.60664 1.81904 0.745 15.62231 O ? C ? . O 1
   HETATM 1967 O . HOH A 413 ? 4.61223 36.62302 13.68751 0.910 22.19101 O ? C ? . O 1
   HETATM 1968 O . HOH A 414 ? 7.37548 37.22017 -2.52266 1.000 16.37196 O ? C ? . O 1
   HETATM 1969 O . HOH A 415 ? 6.82872 19.30025 -2.61738 0.793 15.38556 O ? C ? . O 1
   HETATM 1970 O . HOH A 416 ? 14.37207 35.26789 22.23052 0.677 18.15217 O ? C ? . O 1
   HETATM 1971 O . HOH A 417 ? 2.57451 31.39835 4.29547 0.854 20.24348 O ? C ? . O 1
   HETATM 1972 O . HOH A 418 ? 23.95539 21.31253 11.61727 0.934 17.14806 O ? C ? . O 1
   HETATM 1973 O . HOH A 419 ? 2.67775 32.00483 16.91221 0.676 18.18233 O ? C ? . O 1
   HETATM 1974 O . HOH A 420 ? 5.69830 21.80546 24.05311 0.746 15.54539 O ? C ? . O 1
   HETATM 1975 O . HOH A 421 ? 10.89824 41.92554 1.37794 1.000 23.42906 O ? C ? . O 1
   HETATM 1976 O . HOH A 422 ? 22.79800 31.54243 -0.34899 0.468 13.98053 O ? C ? . O 1
   HETATM 1977 O . HOH A 423 ? 7.51276 38.28952 13.64839 0.893 19.87767 O ? C ? . O 1
   HETATM 1978 O . HOH A 424 ? 6.50262 37.67347 2.48519 0.667 14.99677 O ? C ? . O 1
   HETATM 1979 O . HOH A 425 ? 3.22760 20.99933 21.70380 0.790 20.84519 O ? C ? . O 1
   HETATM 1980 O . HOH A 426 ? 3.86559 26.57403 1.77019 0.802 20.47524 O ? C ? . O 1
   HETATM 1981 O . HOH A 427 ? 5.74348 31.61876 20.43332 0.961 22.90036 O ? C ? . O 1
   HETATM 1982 O . HOH A 428 ? -0.35968 19.99150 19.37371 0.849 24.85085 O ? C ? . O 1
   HETATM 1983 O . HOH A 429 ? 23.18431 37.37129 13.37727 0.985 25.70735 O ? C ? . O 1
   HETATM 1984 O . HOH A 430 ? 15.94391 43.39047 11.18994 1.000 28.10079 O ? C ? . O 1
   HETATM 1985 O . HOH A 431 ? 17.53962 45.67053 3.66958 0.737 18.25922 O ? C ? . O 1
   HETATM 1986 O . HOH A 433 ? 16.67062 22.65494 25.66373 0.899 21.15932 O ? C ? . O 1
   HETATM 1987 O . HOH A 434 ? 0.77946 32.30750 -3.23584 0.584 17.22806 O ? C ? . O 1
   HETATM 1988 O . HOH A 435 ? 25.47247 27.65504 9.69004 0.908 26.92914 O ? C ? . O 1
   HETATM 1989 O . HOH A 436 ? 25.22342 30.75407 0.21572 0.556 16.22971 O ? C ? . O 1
   HETATM 1990 O . HOH A 437 ? 17.23537 30.37817 26.78014 0.965 26.54686 O ? C ? . O 1
   HETATM 1991 O . HOH A 438 ? 4.51014 20.98221 1.39250 0.634 21.61858 O ? C ? . O 1
   HETATM 1992 O . HOH A 441 ? 25.09327 25.81312 11.32955 0.911 30.63747 O ? C ? . O 1
   HETATM 1993 O . HOH A 442 ? 26.44526 28.33952 0.78142 0.974 27.89929 O ? C ? . O 1
   HETATM 1994 O . HOH A 443 ? 13.78507 32.43792 27.94271 0.790 21.00538 O ? C ? . O 1
   HETATM 1995 O . HOH A 444 ? 20.44046 18.62099 8.65323 0.764 17.51419 O ? C ? . O 1
   HETATM 1996 O . HOH A 445 ? 16.57219 16.86674 2.21596 0.549 21.49970 O ? C ? . O 1
   HETATM 1997 O . HOH A 447 ? 2.04045 35.39238 14.73973 0.549 22.90646 O ? C ? . O 1
   HETATM 1998 O . HOH A 448 ? 2.57774 29.98038 20.29112 0.714 21.07262 O ? C ? . O 1
   HETATM 1999 O . HOH A 450 ? 6.86452 18.47292 -5.42034 0.611 25.46214 O ? C ? . O 1
   HETATM 2000 O . HOH A 452 ? 12.42614 45.39189 7.22399 0.758 25.63226 O ? C ? . O 1
   HETATM 2001 O . HOH A 453 ? 18.12279 27.84610 28.03688 0.968 34.87768 O ? C ? . O 1
   HETATM 2002 O . HOH A 455 ? 0.41424 31.33215 6.12229 0.947 40.59215 O ? C ? . O 1
   HETATM 2003 O . HOH A 457 ? 5.36267 19.97739 20.79627 0.685 25.93773 O ? C ? . O 1
   HETATM 2005 O . HOH A 459 ? 10.62869 22.87621 29.30314 0.669 32.23076 O ? C ? . O 1
   HETATM 2006 O . HOH A 460 ? 9.02548 40.68539 10.93718 0.816 27.83441 O ? C ? . O 1
   HETATM 2007 O . HOH A 464 ? 10.15233 19.07921 -4.36719 0.685 23.50947 O ? C ? . O 1
   HETATM 2010 O . HOH A 472 ? 6.75899 20.07142 6.57377 0.760 30.96046 O ? C ? . O 1
   HETATM 2011 O . HOH A 473 ? 18.63423 14.07934 24.23831 1.000 27.83348 O ? C ? . O 1
   HETATM 2012 O . HOH A 475 ? 17.16229 37.13737 17.22506 0.979 36.19780 O ? C ? . O 1
   HETATM 2013 O . HOH A 477 ? 14.24050 23.83676 -5.84652 0.877 27.32203 O ? C ? . O 1
   HETATM 2014 O . HOH A 479 ? 10.53514 39.94389 13.49757 0.858 37.06294 O ? C ? . O 1
   HETATM 2015 O . HOH A 480 ? 6.27846 37.44941 5.76725 0.939 24.31598 O ? C ? . O 1
   HETATM 2016 O . HOH A 481 ? 19.31986 19.31986 -0.00000 0.212 20.17749 O ? C ? . O 1
   HETATM 2018 O . HOH A 483 ? 19.06844 17.07658 1.49277 0.393 19.83047 O ? C ? . O 1
   HETATM 2019 O . HOH A 484 ? 4.68554 27.81575 30.45613 0.899 30.98173 O ? C ? . O 1
   HETATM 2501 O . HOH S 485 ? 9.53012 18.34961 13.27265 1.000 33.17248 O ? D ? . O 1
   HETATM 2503 O . HOH S 487 ? 26.46778 31.88453 7.05597 0.586 22.41534 O ? D ? . O 1
   HETATM 2504 O . HOH S 488 ? 12.18381 22.25507 -5.39735 0.891 25.53257 O ? D ? . O 1
   HETATM 2505 O . HOH S 489 ? 14.44572 16.85065 1.04746 0.637 26.96086 O ? D ? . O 1
   HETATM 2506 O . HOH S 490 ? 17.25755 48.35886 4.46523 0.840 30.05732 O ? D ? . O 1
   HETATM 2507 O . HOH S 491 ? 9.25222 19.26161 -6.66506 0.735 35.03653 O ? D ? . O 1
   HETATM 2508 O . HOH S 492 ? 3.51943 20.37179 10.21518 0.582 28.55271 O ? D ? . O 1
   HETATM 2512 O . HOH S 496 ? 28.96237 38.10584 11.82034 0.754 35.59939 O ? D ? . O 1
   HETATM 2513 O . HOH S 497 ? 9.84030 15.69349 16.08761 0.701 33.99299 O ? D ? . O 1
   HETATM 2515 O . HOH S 499 ? -1.48552 21.78413 18.33587 0.619 26.47353 O ? D ? . O 1
   HETATM 2516 O . HOH S 500 ? 0.18616 31.43569 -0.67755 0.532 20.86064 O ? D ? . O 1
   HETATM 2518 O . HOH S 502 ? 5.00040 38.12056 3.88983 0.845 40.44818 O ? D ? . O 1
   HETATM 2519 O . HOH S 503 ? 23.00094 17.57457 14.05299 0.604 24.59187 O ? D ? . O 1
   HETATM 2524 O . HOH S 508 ? 21.16867 18.05022 1.54135 0.516 16.28450 O ? D ? . O 1
   HETATM 2528 O . HOH S 512 ? 11.37020 40.78995 10.85247 0.464 24.75113 O ? D ? . O 1
   HETATM 2530 O . HOH S 514 ? 12.76058 42.22260 14.14657 0.739 27.88292 O ? D ? . O 1
   HETATM 2531 O . HOH S 515 ? 16.72886 22.50436 -7.14677 0.435 22.38556 O ? D ? . O 1
   HETATM 2534 O . HOH S 518 ? 1.59309 19.45439 22.18814 0.298 19.64317 O ? D ? . O 1
   HETATM 2535 O . HOH S 519 ? 1.29941 32.09217 19.49707 0.741 29.23810 O ? D ? . O 1
   HETATM 2537 O . HOH S 521 ? 26.49198 24.87268 14.14568 0.925 36.37497 O ? D ? . O 1
   HETATM 2546 O . HOH S 530 ? 15.09610 20.39139 25.75273 0.578 31.36015 O ? D ? . O 1
   HETATM 2570 O . HOH S 531 ? 18.78127 14.42133 21.95500 0.937 26.81797 O ? E ? . O 1
   HETATM 2577 O . HOH S 538 ? 8.83216 17.51571 5.79838 0.901 33.42277 O ? E ? . O 1
   HETATM 2579 O . HOH S 540 ? 25.61681 23.20146 11.06468 0.944 39.80047 O ? E ? . O 1
   HETATM 2580 O . HOH S 541 ? 26.84761 22.34212 13.95368 0.706 32.79858 O ? E ? . O 1
   HETATM 2581 O . HOH S 542 ? 5.07910 21.60327 6.68745 0.557 26.74028 O ? E ? . O 1
   HETATM 2585 O . HOH S 546 ? 23.06754 40.57595 18.88013 1.000 45.90962 O ? E ? . O 1
   HETATM 2588 O . HOH S 549 ? 5.07744 18.67877 17.82851 0.924 43.12145 O ? E ? . O 1
   HETATM 2589 O . HOH S 550 ? 15.81071 34.29990 26.61083 0.618 27.05628 O ? E ? . O 1
   HETATM 2593 O . HOH S 554 ? 31.18158 28.07064 2.63185 0.373 18.88557 O ? E ? . O 1
   HETATM 2597 O . HOH S 558 ? 2.71358 25.56916 3.89776 0.728 42.47252 O ? E ? . O 1
   HETATM 2614 O . HOH S 566 ? 6.03541 27.54619 32.89664 0.807 28.29761 O ? F ? . O 1
   HETATM 2616 O . HOH S 568 ? 6.25058 26.54104 -7.60289 0.497 32.42067 O ? F ? . O 1
   HETATM 2617 O . HOH S 569 ? 23.21209 35.67801 25.58230 0.806 33.36222 O ? F ? . O 1
   HETATM 2619 O . HOH S 571 ? 29.74075 35.65290 11.67191 0.529 29.92906 O ? F ? . O 1
   HETATM 2620 O . HOH S 572 ? 29.83629 29.75725 15.65783 0.784 37.25201 O ? F ? . O 1
   HETATM 2621 O . HOH S 573 ? 13.70653 18.14832 -1.45772 0.936 33.07422 O ? F ? . O 1
   HETATM 2622 O . HOH S 574 ? 3.67847 36.92644 5.58183 0.602 32.41027 O ? F ? . O 1
   HETATM 2623 O . HOH S 575 ? 6.69483 40.36547 6.26186 0.731 31.85358 O ? F ? . O 1
   HETATM 2624 O . HOH S 576 ? 13.23949 28.20258 30.96415 0.812 25.43067 O ? F ? . O 1
   HETATM 2625 O . HOH S 577 ? 10.03912 21.16330 -5.26334 0.287 23.00616 O ? F ? . O 1
   HETATM 2629 O . HOH S 581 ? 11.26752 22.23245 27.34437 0.561 19.97793 O ? F ? . O 1
   HETATM 2630 O . HOH S 582 ? 26.44144 26.53062 22.39848 0.740 25.44208 O ? F ? . O 1
   HETATM 2634 O . HOH S 586 ? 6.01309 20.55235 4.46375 0.611 30.98008 O ? F ? . O 1
   HETATM 2635 O . HOH S 587 ? 6.85078 39.70352 17.99208 0.616 33.86748 O ? F ? . O 1
   HETATM 2640 O . HOH S 592 ? 17.41847 25.07786 27.64220 0.562 28.82996 O ? F ? . O 1
   HETATM 2641 O . HOH S 593 ? 13.00212 43.11605 11.95864 0.413 26.19002 O ? F ? . O 1
   HETATM 2643 O . HOH S 595 ? 13.58510 12.81992 10.83613 0.648 26.25572 O ? F ? . O 1
   HETATM 2644 O . HOH S 596 ? 10.47396 21.52637 -7.46753 0.539 29.59994 O ? F ? . O 1
   HETATM 2646 O . HOH S 598 ? 13.83396 9.44369 6.81759 0.605 35.16180 O ? F ? . O 1
   HETATM 2648 O . HOH S 600 ? 31.27313 35.11308 16.70311 0.643 31.01523 O ? F ? . O 1
   HETATM 2649 O . HOH S 601 ? 12.80418 20.51988 27.09295 0.757 32.47769 O ? F ? . O 1
   HETATM 2651 O . HOH S 603 ? 7.62388 18.48819 7.83844 0.571 33.27885 O ? F ? . O 1
   HETATM 2676 O . HOH S 604 ? 9.03969 43.03890 1.76841 0.873 33.51243 O ? G ? . O 1
   HETATM 2678 O . HOH S 606 ? 3.14328 18.96282 12.19094 0.894 38.55085 O ? G ? . O 1
   HETATM 2680 O . HOH S 608 ? 26.16971 21.99182 20.07285 0.769 41.12410 O ? G ? . O 1
   HETATM 2681 O . HOH S 609 ? 4.82724 17.23573 15.55444 0.760 27.99265 O ? G ? . O 1
   HETATM 2682 O . HOH S 610 ? 14.11303 46.19732 5.74300 0.531 24.58842 O ? G ? . O 1
   HETATM 2683 O . HOH S 611 ? 6.81791 26.18999 30.88715 0.463 24.45776 O ? G ? . O 1
   HETATM 2684 O . HOH S 612 ? 13.93978 25.84782 30.94182 0.662 29.97357 O ? G ? . O 1
   HETATM 2685 O . HOH S 613 ? 25.19286 36.98332 26.07192 0.663 38.02020 O ? G ? . O 1
   HETATM 2689 O . HOH S 617 ? 28.63046 31.31987 7.94479 0.650 35.78900 O ? G ? . O 1
   HETATM 2692 O . HOH S 620 ? 7.46461 20.55523 -4.86492 0.400 24.55434 O ? G ? . O 1
   HETATM 2693 O . HOH S 621 ? 12.08859 25.98197 -5.42814 0.551 23.51012 O ? G ? . O 1
   HETATM 2694 O . HOH S 622 ? 1.85245 35.64362 12.34596 0.406 21.70535 O ? G ? . O 1
   HETATM 2695 O . HOH S 623 ? 5.72543 23.75212 -10.27969 0.695 29.56723 O ? G ? . O 1
   HETATM 2698 O . HOH S 626 ? 10.96431 20.71497 25.35498 0.304 23.41371 O ? G ? . O 1
   HETATM 2699 O . HOH S 627 ? 13.94880 36.19445 24.47892 0.457 18.30149 O ? G ? . O 1
   HETATM 2701 O . HOH S 629 ? 0.39024 35.23871 9.89436 0.663 36.74898 O ? G ? . O 1
   HETATM 2703 O . HOH S 631 ? 18.56733 36.94775 19.28138 0.546 34.37973 O ? G ? . O 1
   HETATM 2705 O . HOH S 633 ? 12.47294 22.62203 31.23439 0.439 27.65283 O ? G ? . O 1
   HETATM 2707 O . HOH S 635 ? 15.90924 48.52849 2.83312 0.402 24.74366 O ? G ? . O 1
   HETATM 2708 O . HOH S 636 ? 28.46403 42.11700 9.66119 0.655 28.96330 O ? G ? . O 1
   HETATM 2710 O . HOH S 638 ? 27.90629 28.04039 9.27090 0.771 42.61821 O ? G ? . O 1
   HETATM 2731 O . HOH S 643 ? 2.94313 18.44021 15.77536 0.785 37.35331 O ? H ? . O 1
   HETATM 2732 O . HOH S 644 ? 26.25465 29.86576 20.77991 0.516 31.28115 O ? H ? . O 1
   HETATM 2735 O . HOH S 647 ? 15.09006 28.66328 1.73399 0.208 11.86268 O ? H ? . O 1
   HETATM 2738 O . HOH S 650 ? 6.42022 25.42592 -11.54387 0.310 22.39308 O ? H ? . O 1
   HETATM 2744 O . HOH S 656 ? 12.08713 13.98876 12.02632 0.433 24.19212 O ? H ? . O 1
   HETATM 2747 O . HOH S 659 ? 25.83950 24.66156 23.66048 0.405 21.21357 O ? H ? . O 1
   HETATM 2751 O . HOH S 663 ? 15.87459 27.86571 31.36128 0.732 36.95788 O ? H ? . O 1
   HETATM 2752 O . HOH S 664 ? 3.04954 23.97802 2.35756 0.332 18.63058 O ? H ? . O 1
   HETATM 2753 O . HOH S 665 ? 22.80514 16.15386 15.77933 0.477 26.93975 O ? H ? . O 1

data_comp_FK5
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
   FK5 C1 C C 0 0.265 19.6989 29.0094 21.7436
   FK5 C2 C CH1 0 0.051 18.3387 29.5790 22.1529
   FK5 C3 C CH2 0 -0.190 17.3524 29.6345 20.9799
   FK5 C4 C CH2 0 -0.174 17.6332 30.8127 20.0491
   FK5 C5 C CH2 0 -0.172 17.6519 32.1222 20.8369
   FK5 C6 C CH2 0 -0.190 18.6696 32.0442 21.9669
   FK5 C8 C C 0 0.242 18.2884 30.9330 24.1474
   FK5 C9 C C 0 0.134 18.1059 32.2989 24.8281
   FK5 C10 C CT 0 0.331 19.1876 32.8102 25.8148
   FK5 C11 C CH1 0 -0.051 19.4575 31.7929 26.9447
   FK5 C12 C CH2 0 -0.278 20.7408 32.1753 27.6844
   FK5 C13 C CH1 0 0.159 21.8887 32.3752 26.7045
   FK5 C14 C CH1 0 0.053 21.5050 33.4406 25.6772
   FK5 C15 C CH1 0 0.187 22.6472 33.7405 24.6607
   FK5 C16 C CH2 0 -0.290 23.0786 35.2102 24.5879
   FK5 C17 C CH1 0 0.058 23.9570 35.8039 25.7050
   FK5 C18 C CH2 0 -0.253 25.2229 34.9784 26.0083
   FK5 C19 C C 0 0.119 26.0396 34.5612 24.8096
   FK5 C20 C C1 0 -0.373 26.2923 33.2660 24.6059
   FK5 C21 C CH1 0 0.140 27.1352 32.6567 23.5078
   FK5 C22 C C 0 0.158 26.4977 31.3334 23.1010
   FK5 C23 C CH2 0 -0.337 25.2308 31.4443 22.2812
   FK5 C24 C CH1 0 0.179 24.4303 30.1548 22.1856
   FK5 C25 C CH1 0 -0.017 22.9420 30.4324 21.9274
   FK5 C26 C CH1 0 0.190 22.0796 29.1765 22.1095
   FK5 C27 C C 0 -0.011 22.4214 28.3455 23.3184
   FK5 C28 C C1 0 -0.162 22.9236 27.1243 23.1231
   FK5 C29 C CH1 0 0.004 23.4901 26.1884 24.1445
   FK5 C30 C CH2 0 -0.198 22.9686 24.7605 23.9373
   FK5 C31 C CH1 0 0.174 23.5808 23.7585 24.9109
   FK5 C32 C CH1 0 0.073 25.1018 23.7885 24.8273
   FK5 C33 C CH2 0 -0.173 25.6322 25.2019 25.0534
   FK5 C34 C CH2 0 -0.244 25.0278 26.2016 24.0710
   FK5 C35 C CH3 0 -0.384 18.2685 31.6206 27.8850
   FK5 C36 C CH3 0 -0.423 23.2068 36.1075 27.0043
   FK5 C37 C CH3 0 -0.410 26.5681 35.6680 23.9425
   FK5 C38 C CH2 0 -0.128 28.6213 32.5144 23.9155
   FK5 C39 C C1 0 -0.160 28.8565 31.8963 25.2609
   FK5 C40 C C2 0 -0.326 29.4553 32.5121 26.2749
   FK5 C41 C CH3 0 -0.480 22.6902 31.0623 20.5581
   FK5 C42 C CH3 0 -0.501 22.2357 29.0089 24.6534
   FK5 N7 N NT 0 -0.021 18.4234 30.8775 22.8173
   FK5 O1 O O2 0 -0.293 20.7117 29.6870 22.2646
   FK5 O2 O O 0 -0.403 19.8010 28.0175 21.0569
   FK5 O3 O O 0 -0.459 18.1565 29.9531 24.8828
   FK5 O4 O O 0 -0.287 17.0558 32.8711 24.6750
   FK5 O5 O O2 0 -0.359 20.3331 32.9658 24.9865
   FK5 O6 O OH1 0 -0.469 18.7365 34.0498 26.2840
   FK5 O7 O O2 0 -0.379 23.0776 32.7728 27.3726
   FK5 O8 O O2 0 -0.388 22.3566 33.2362 23.3551
   FK5 O9 O O 0 -0.382 26.9612 30.2626 23.4416
   FK5 O10 O OH1 0 -0.547 25.0204 29.3329 21.1655
   FK5 O11 O O2 0 -0.375 23.0598 22.4686 24.5831
   FK5 O12 O OH1 0 -0.507 25.6252 22.8769 25.8012
   FK5 H2 H HCH1 0 0.126 17.9686 28.8721 22.8964
   FK5 H31A H HCH2 0 0.117 17.4001 28.6862 20.4463
   FK5 H32A H HCH2 0 0.113 16.3477 29.7290 21.3982
   FK5 H41 H HCH2 0 0.105 18.5998 30.6725 19.5532
   FK5 H42 H HCH2 0 0.112 16.8757 30.8495 19.2642
   FK5 H51 H HCH2 0 0.113 17.9139 32.9616 20.1901
   FK5 H52 H HCH2 0 0.103 16.6606 32.3217 21.2540
   FK5 H61 H HCH2 0 0.124 19.6747 31.9491 21.5543
   FK5 H62 H HCH2 0 0.162 18.6550 32.9395 22.5809
   FK5 H11 H HCH1 0 0.097 19.6421 30.8426 26.4460
   FK5 H121 H HCH2 0 0.122 20.6090 33.0974 28.2613
   FK5 H122 H HCH2 0 0.124 20.9815 31.3860 28.3990
   FK5 H13 H HCH1 0 0.084 22.0750 31.4456 26.1555
   FK5 H14 H HCH1 0 0.103 21.2460 34.3645 26.1982
   FK5 H15 H HCH1 0 0.115 23.5022 33.1461 24.9742
   FK5 H161 H HCH2 0 0.123 23.6468 35.2991 23.6599
   FK5 H162 H HCH2 0 0.125 22.1965 35.8465 24.4743
   FK5 H17 H HCH1 0 0.076 24.2850 36.7691 25.3048
   FK5 H181 H HCH2 0 0.102 25.8544 35.5873 26.6668
   FK5 H182 H HCH2 0 0.148 24.9385 34.0917 26.5732
   FK5 H20 H H 0 0.164 25.8933 32.5568 25.3256
   FK5 H21 H HCH1 0 0.096 27.0944 33.3024 22.6270
   FK5 H231 H HCH2 0 0.172 24.6180 32.2418 22.7079
   FK5 H232 H HCH2 0 0.142 25.5197 31.7938 21.2840
   FK5 H24 H HCH1 0 0.117 24.5261 29.6358 23.1402
   FK5 H25 H HCH1 0 0.129 22.6316 31.1415 22.6954
   FK5 H26 H HCH1 0 0.106 22.1054 28.5552 21.2165
   FK5 H28 H H 0 0.144 22.9994 26.7705 22.0958
   FK5 H29 H HCH1 0 0.064 23.2048 26.5142 25.1478
   FK5 H301 H HCH2 0 0.107 21.8827 24.7346 24.0487
   FK5 H302 H HCH2 0 0.096 23.1971 24.4363 22.9163
   FK5 H31 H HCH1 0 0.057 23.2854 24.0154 25.9361
   FK5 H32 H HCH1 0 0.060 25.3849 23.4480 23.8225
   FK5 H331 H HCH2 0 0.090 25.3931 25.4995 26.0797
   FK5 H332 H HCH2 0 0.108 26.7223 25.1903 24.9660
   FK5 H341 H HCH2 0 0.098 25.3382 25.9567 23.0494
   FK5 H342 H HCH2 0 0.114 25.3955 27.2083 24.2802
   FK5 H351 H HCH3 0 0.130 18.4918 30.8397 28.6136
   FK5 H352 H HCH3 0 0.121 18.0531 32.5386 28.4348
   FK5 H353 H HCH3 0 0.129 17.3686 31.3267 27.3429
   FK5 H361 H HCH3 0 0.116 23.8450 36.6807 27.6815
   FK5 H362 H HCH3 0 0.118 22.3089 36.6986 26.8088
   FK5 H363 H HCH3 0 0.119 22.9122 35.1949 27.5211
   FK5 H371 H HCH3 0 0.128 27.1876 35.3048 23.1249
   FK5 H372 H HCH3 0 0.135 25.7544 36.2590 23.5145
   FK5 H373 H HCH3 0 0.131 27.1690 36.3564 24.5448
   FK5 H381 H HCH2 0 0.110 29.1261 31.9186 23.1480
   FK5 H382 H HCH2 0 0.115 29.0645 33.5125 23.8991
   FK5 H39 H H 0 0.129 28.5040 30.8783 25.3879
   FK5 H401 H H 0 0.129 29.8136 33.5328 26.1852
   FK5 H402 H H 0 0.134 29.6088 32.0195 27.2278
   FK5 H411 H HCH3 0 0.144 21.6245 31.2243 20.3962
   FK5 H412 H HCH3 0 0.138 23.1877 32.0287 20.4745
   FK5 H413 H HCH3 0 0.115 23.0619 30.4157 19.7617
   FK5 H421 H HCH3 0 0.134 22.3814 28.3198 25.4816
   FK5 H422 H HCH3 0 0.158 22.9401 29.8357 24.7795
   FK5 H423 H HCH3 0 0.156 21.2349 29.4366 24.7326
   FK5 H431 H HCH3 0 0.136 24.7626 32.1075 28.2835
   FK5 H432 H HCH3 0 0.133 23.3590 31.0377 28.5013
   FK5 H433 H HCH3 0 0.129 24.2081 31.0844 26.9353
   FK5 H441 H HCH3 0 0.140 21.3282 33.4410 21.6331
   FK5 H442 H HCH3 0 0.120 20.6344 34.3612 22.9827
   FK5 H443 H HCH3 0 0.124 22.1089 34.9360 22.1647
   FK5 H451 H HCH3 0 0.126 22.3000 20.7338 25.3062
   FK5 H452 H HCH3 0 0.116 23.6693 21.3707 26.2507
   FK5 H453 H HCH3 0 0.114 22.0643 22.1328 26.3799
   FK5 HO6 H HOH1 0 0.353 19.0645 34.2082 27.1777
   FK5 HO10 H HOH1 0 0.329 24.7820 28.4146 21.3430
   FK5 HO12 H HOH1 0 0.334 26.5877 22.8826 25.7257
   FK5 C43 C CH3 0 -0.224 23.8871 31.6844 27.7936
   FK5 C44 C CH3 0 -0.202 21.5629 34.0515 22.5014
   FK5 C45 C CH3 0 -0.195 22.7657 21.6379 25.6983

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
   FK5 C1 C2 single 1.530 0.020 1.530
   FK5 C1 O1 single 1.325 0.020 1.325
   FK5 C1 O2 double 1.211 0.020 1.211
   FK5 C2 C3 single 1.534 0.020 1.534
   FK5 C2 N7 single 1.461 0.020 1.461
   FK5 C2 H2 single 0.970 0.020 1.090
   FK5 C3 C4 single 1.528 0.020 1.528
   FK5 C3 H31A single 0.970 0.020 1.090
   FK5 C3 H32A single 0.970 0.020 1.090
   FK5 C4 C5 single 1.528 0.020 1.528
   FK5 C4 H41 single 0.970 0.020 1.090
   FK5 C4 H42 single 0.970 0.020 1.090
   FK5 C5 C6 single 1.523 0.020 1.523
   FK5 C5 H51 single 0.970 0.020 1.090
   FK5 C5 H52 single 0.970 0.020 1.090
   FK5 C6 N7 single 1.465 0.020 1.465
   FK5 C6 H61 single 0.970 0.020 1.090
   FK5 C6 H62 single 0.970 0.020 1.090
   FK5 C8 C9 single 1.537 0.020 1.537
   FK5 C8 N7 single 1.338 0.020 1.338
   FK5 C8 O3 double 1.232 0.020 1.232
   FK5 C9 C10 single 1.551 0.020 1.551
   FK5 C9 O4 double 1.206 0.020 1.206
   FK5 C10 C11 single 1.544 0.020 1.544
   FK5 C10 O5 single 1.422 0.020 1.422
   FK5 C10 O6 single 1.400 0.020 1.400
   FK5 C11 C12 single 1.530 0.020 1.530
   FK5 C11 C35 single 1.526 0.020 1.526
   FK5 C11 H11 single 0.970 0.020 1.090
   FK5 C12 C13 single 1.522 0.020 1.522
   FK5 C12 H121 single 0.970 0.020 1.090
   FK5 C12 H122 single 0.970 0.020 1.090
   FK5 C13 C14 single 1.529 0.020 1.529
   FK5 C13 O7 single 1.421 0.020 1.421
   FK5 C13 H13 single 0.970 0.020 1.090
   FK5 C14 C15 single 1.558 0.020 1.558
   FK5 C14 O5 single 1.441 0.020 1.441
   FK5 C14 H14 single 0.970 0.020 1.090
   FK5 C15 C16 single 1.533 0.020 1.533
   FK5 C15 O8 single 1.429 0.020 1.429
   FK5 C15 H15 single 0.970 0.020 1.090
   FK5 C16 C17 single 1.540 0.020 1.540
   FK5 C16 H161 single 0.970 0.020 1.090
   FK5 C16 H162 single 0.970 0.020 1.090
   FK5 C17 C18 single 1.541 0.020 1.541
   FK5 C17 C36 single 1.531 0.020 1.531
   FK5 C17 H17 single 0.970 0.020 1.090
   FK5 C18 C19 single 1.509 0.020 1.509
   FK5 C18 H181 single 0.970 0.020 1.090
   FK5 C18 H182 single 0.970 0.020 1.090
   FK5 C19 C20 double 1.335 0.020 1.335
   FK5 C19 C37 single 1.502 0.020 1.502
   FK5 C20 C21 single 1.512 0.020 1.512
   FK5 C20 H20 single 0.930 0.020 1.080
   FK5 C21 C22 single 1.524 0.020 1.524
   FK5 C21 C38 single 1.548 0.020 1.548
   FK5 C21 H21 single 0.970 0.020 1.090
   FK5 C22 C23 single 1.513 0.020 1.513
   FK5 C22 O9 double 1.215 0.020 1.215
   FK5 C23 C24 single 1.521 0.020 1.521
   FK5 C23 H231 single 0.970 0.020 1.090
   FK5 C23 H232 single 0.970 0.020 1.090
   FK5 C24 C25 single 1.536 0.020 1.536
   FK5 C24 O10 single 1.437 0.020 1.437
   FK5 C24 H24 single 0.970 0.020 1.090
   FK5 C25 C26 single 1.534 0.020 1.534
   FK5 C25 C41 single 1.528 0.020 1.528
   FK5 C25 H25 single 0.970 0.020 1.090
   FK5 C26 C27 single 1.506 0.020 1.506
   FK5 C26 O1 single 1.468 0.020 1.468
   FK5 C26 H26 single 0.970 0.020 1.090
   FK5 C27 C28 double 1.335 0.020 1.335
   FK5 C27 C42 single 1.502 0.020 1.502
   FK5 C28 C29 single 1.497 0.020 1.497
   FK5 C28 H28 single 0.930 0.020 1.080
   FK5 C29 C30 single 1.534 0.020 1.534
   FK5 C29 C34 single 1.539 0.020 1.539
   FK5 C29 H29 single 0.970 0.020 1.090
   FK5 C30 C31 single 1.525 0.020 1.525
   FK5 C30 H301 single 0.970 0.020 1.090
   FK5 C30 H302 single 0.970 0.020 1.090
   FK5 C31 C32 single 1.524 0.020 1.524
   FK5 C31 O11 single 1.429 0.020 1.429
   FK5 C31 H31 single 0.970 0.020 1.090
   FK5 C32 C33 single 1.526 0.020 1.526
   FK5 C32 O12 single 1.433 0.020 1.433
   FK5 C32 H32 single 0.970 0.020 1.090
   FK5 C33 C34 single 1.526 0.020 1.526
   FK5 C33 H331 single 0.970 0.020 1.090
   FK5 C33 H332 single 0.970 0.020 1.090
   FK5 C34 H341 single 0.970 0.020 1.090
   FK5 C34 H342 single 0.970 0.020 1.090
   FK5 C35 H351 single 0.970 0.020 1.090
   FK5 C35 H352 single 0.970 0.020 1.090
   FK5 C35 H353 single 0.970 0.020 1.090
   FK5 C36 H361 single 0.970 0.020 1.090
   FK5 C36 H362 single 0.970 0.020 1.090
   FK5 C36 H363 single 0.970 0.020 1.090
   FK5 C37 H371 single 0.970 0.020 1.090
   FK5 C37 H372 single 0.970 0.020 1.090
   FK5 C37 H373 single 0.970 0.020 1.090
   FK5 C38 C39 single 1.499 0.020 1.499
   FK5 C38 H381 single 0.970 0.020 1.090
   FK5 C38 H382 single 0.970 0.020 1.090
   FK5 C39 C40 double 1.329 0.020 1.329
   FK5 C39 H39 single 0.930 0.020 1.080
   FK5 C40 H401 single 0.930 0.020 1.080
   FK5 C40 H402 single 0.930 0.020 1.080
   FK5 C41 H411 single 0.970 0.020 1.090
   FK5 C41 H412 single 0.970 0.020 1.090
   FK5 C41 H413 single 0.970 0.020 1.090
   FK5 C42 H421 single 0.970 0.020 1.090
   FK5 C42 H422 single 0.970 0.020 1.090
   FK5 C42 H423 single 0.970 0.020 1.090
   FK5 C43 O7 single 1.420 0.020 1.420
   FK5 C43 H431 single 0.970 0.020 1.090
   FK5 C43 H432 single 0.970 0.020 1.090
   FK5 C43 H433 single 0.970 0.020 1.090
   FK5 C44 O8 single 1.423 0.020 1.423
   FK5 C44 H441 single 0.970 0.020 1.090
   FK5 C44 H442 single 0.970 0.020 1.090
   FK5 C44 H443 single 0.970 0.020 1.090
   FK5 C45 O11 single 1.421 0.020 1.421
   FK5 C45 H451 single 0.970 0.020 1.090
   FK5 C45 H452 single 0.970 0.020 1.090
   FK5 C45 H453 single 0.970 0.020 1.090
   FK5 O6 HO6 single 0.850 0.020 0.980
   FK5 O10 HO10 single 0.850 0.020 0.980
   FK5 O12 HO12 single 0.850 0.020 0.980

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   FK5 O2 C1 O1 125.27 3.000
   FK5 O2 C1 C2 122.11 3.000
   FK5 O1 C1 C2 112.57 3.000
   FK5 H2 C2 N7 106.59 3.000
   FK5 H2 C2 C3 109.07 3.000
   FK5 N7 C2 C3 110.66 3.000
   FK5 H2 C2 C1 104.05 3.000
   FK5 N7 C2 C1 113.63 3.000
   FK5 C3 C2 C1 112.37 3.000
   FK5 H32A C3 H31A 107.65 3.000
   FK5 H32A C3 C4 109.61 3.000
   FK5 H31A C3 C4 111.40 3.000
   FK5 H32A C3 C2 107.57 3.000
   FK5 H31A C3 C2 108.36 3.000
   FK5 C4 C3 C2 112.07 3.000
   FK5 H42 C4 H41 106.93 3.000
   FK5 H42 C4 C5 110.51 3.000
   FK5 H41 C4 C5 109.40 3.000
   FK5 H42 C4 C3 109.67 3.000
   FK5 H41 C4 C3 109.84 3.000
   FK5 C5 C4 C3 110.42 3.000
   FK5 H52 C5 H51 107.65 3.000
   FK5 H52 C5 C6 109.40 3.000
   FK5 H51 C5 C6 108.58 3.000
   FK5 H52 C5 C4 109.98 3.000
   FK5 H51 C5 C4 110.88 3.000
   FK5 C6 C5 C4 110.30 3.000
   FK5 H62 C6 H61 107.36 3.000
   FK5 H62 C6 N7 109.05 3.000
   FK5 H61 C6 N7 107.77 3.000
   FK5 H62 C6 C5 111.62 3.000
   FK5 H61 C6 C5 109.85 3.000
   FK5 N7 C6 C5 111.06 3.000
   FK5 O3 C8 N7 124.83 3.000
   FK5 O3 C8 C9 115.44 3.000
   FK5 N7 C8 C9 119.28 3.000
   FK5 O4 C9 C10 122.13 3.000
   FK5 O4 C9 C8 117.97 3.000
   FK5 C10 C9 C8 119.47 3.000
   FK5 O6 C10 O5 110.97 3.000
   FK5 O6 C10 C11 113.23 3.000
   FK5 O5 C10 C11 110.94 3.000
   FK5 O6 C10 C9 106.28 3.000
   FK5 O5 C10 C9 103.14 3.000
   FK5 C11 C10 C9 111.73 3.000
   FK5 H11 C11 C35 108.41 3.000
   FK5 H11 C11 C12 107.30 3.000
   FK5 C35 C11 C12 112.58 3.000
   FK5 H11 C11 C10 105.63 3.000
   FK5 C35 C11 C10 112.90 3.000
   FK5 C12 C11 C10 109.62 3.000
   FK5 H122 C12 H121 106.88 3.000
   FK5 H122 C12 C13 110.48 3.000
   FK5 H121 C12 C13 108.61 3.000
   FK5 H122 C12 C11 108.71 3.000
   FK5 H121 C12 C11 111.36 3.000
   FK5 C13 C12 C11 110.73 3.000
   FK5 H13 C13 O7 109.32 3.000
   FK5 H13 C13 C14 107.29 3.000
   FK5 O7 C13 C14 109.32 3.000
   FK5 H13 C13 C12 109.84 3.000
   FK5 O7 C13 C12 111.41 3.000
   FK5 C14 C13 C12 109.56 3.000
   FK5 H14 C14 O5 108.34 3.000
   FK5 H14 C14 C15 108.80 3.000
   FK5 O5 C14 C15 110.29 3.000
   FK5 H14 C14 C13 109.19 3.000
   FK5 O5 C14 C13 107.25 3.000
   FK5 C15 C14 C13 112.86 3.000
   FK5 H15 C15 O8 103.31 3.000
   FK5 H15 C15 C16 108.45 3.000
   FK5 O8 C15 C16 110.61 3.000
   FK5 H15 C15 C14 106.44 3.000
   FK5 O8 C15 C14 112.27 3.000
   FK5 C16 C15 C14 114.94 3.000
   FK5 H162 C16 H161 106.51 3.000
   FK5 H162 C16 C17 108.12 3.000
   FK5 H161 C16 C17 106.76 3.000
   FK5 H162 C16 C15 109.61 3.000
   FK5 H161 C16 C15 105.36 3.000
   FK5 C17 C16 C15 119.70 3.000
   FK5 H17 C17 C36 106.39 3.000
   FK5 H17 C17 C18 107.33 3.000
   FK5 C36 C17 C18 109.98 3.000
   FK5 H17 C17 C16 104.21 3.000
   FK5 C36 C17 C16 114.37 3.000
   FK5 C18 C17 C16 113.87 3.000
   FK5 H182 C18 H181 106.91 3.000
   FK5 H182 C18 C19 109.16 3.000
   FK5 H181 C18 C19 108.59 3.000
   FK5 H182 C18 C17 108.88 3.000
   FK5 H181 C18 C17 107.08 3.000
   FK5 C19 C18 C17 115.86 3.000
   FK5 C37 C19 C20 124.07 3.000
   FK5 C37 C19 C18 116.44 3.000
   FK5 C20 C19 C18 119.45 3.000
   FK5 H20 C20 C21 115.01 3.000
   FK5 H20 C20 C19 117.56 3.000
   FK5 C21 C20 C19 127.37 3.000
   FK5 H21 C21 C38 107.61 3.000
   FK5 H21 C21 C22 106.40 3.000
   FK5 C38 C21 C22 113.09 3.000
   FK5 H21 C21 C20 109.05 3.000
   FK5 C38 C21 C20 112.39 3.000
   FK5 C22 C21 C20 108.08 3.000
   FK5 O9 C22 C23 122.39 3.000
   FK5 O9 C22 C21 122.05 3.000
   FK5 C23 C22 C21 115.54 3.000
   FK5 H232 C23 H231 105.70 3.000
   FK5 H232 C23 C24 110.62 3.000
   FK5 H231 C23 C24 110.38 3.000
   FK5 H232 C23 C22 107.20 3.000
   FK5 H231 C23 C22 108.15 3.000
   FK5 C24 C23 C22 114.37 3.000
   FK5 H24 C24 O10 108.25 3.000
   FK5 H24 C24 C25 108.56 3.000
   FK5 O10 C24 C25 112.46 3.000
   FK5 H24 C24 C23 107.59 3.000
   FK5 O10 C24 C23 108.27 3.000
   FK5 C25 C24 C23 111.55 3.000
   FK5 H25 C25 C41 108.43 3.000
   FK5 H25 C25 C26 106.78 3.000
   FK5 C41 C25 C26 110.56 3.000
   FK5 H25 C25 C24 105.96 3.000
   FK5 C41 C25 C24 112.64 3.000
   FK5 C26 C25 C24 112.13 3.000
   FK5 H26 C26 O1 107.90 3.000
   FK5 H26 C26 C27 109.77 3.000
   FK5 O1 C26 C27 108.58 3.000
   FK5 H26 C26 C25 110.88 3.000
   FK5 O1 C26 C25 104.57 3.000
   FK5 C27 C26 C25 114.79 3.000
   FK5 C42 C27 C28 125.49 3.000
   FK5 C42 C27 C26 116.20 3.000
   FK5 C28 C27 C26 118.21 3.000
   FK5 H28 C28 C29 114.47 3.000
   FK5 H28 C28 C27 117.48 3.000
   FK5 C29 C28 C27 127.93 3.000
   FK5 H29 C29 C34 107.58 3.000
   FK5 H29 C29 C30 108.22 3.000
   FK5 C34 C29 C30 109.94 3.000
   FK5 H29 C29 C28 109.96 3.000
   FK5 C34 C29 C28 109.89 3.000
   FK5 C30 C29 C28 111.17 3.000
   FK5 H302 C30 H301 107.19 3.000
   FK5 H302 C30 C31 108.47 3.000
   FK5 H301 C30 C31 108.56 3.000
   FK5 H302 C30 C29 109.30 3.000
   FK5 H301 C30 C29 110.27 3.000
   FK5 C31 C30 C29 112.88 3.000
   FK5 H31 C31 O11 109.11 3.000
   FK5 H31 C31 C32 108.38 3.000
   FK5 O11 C31 C32 111.66 3.000
   FK5 H31 C31 C30 109.54 3.000
   FK5 O11 C31 C30 107.47 3.000
   FK5 C32 C31 C30 110.65 3.000
   FK5 H32 C32 O12 109.29 3.000
   FK5 H32 C32 C33 109.45 3.000
   FK5 O12 C32 C33 111.19 3.000
   FK5 H32 C32 C31 107.55 3.000
   FK5 O12 C32 C31 108.35 3.000
   FK5 C33 C32 C31 110.92 3.000
   FK5 H332 C33 H331 107.18 3.000
   FK5 H332 C33 C34 110.50 3.000
   FK5 H331 C33 C34 109.80 3.000
   FK5 H332 C33 C32 108.95 3.000
   FK5 H331 C33 C32 108.34 3.000
   FK5 C34 C33 C32 111.93 3.000
   FK5 H342 C34 H341 106.82 3.000
   FK5 H342 C34 C33 110.31 3.000
   FK5 H341 C34 C33 109.98 3.000
   FK5 H342 C34 C29 109.58 3.000
   FK5 H341 C34 C29 109.01 3.000
   FK5 C33 C34 C29 111.05 3.000
   FK5 H353 C35 H352 108.31 3.000
   FK5 H353 C35 H351 107.93 3.000
   FK5 H352 C35 H351 107.82 3.000
   FK5 H353 C35 C11 111.53 3.000
   FK5 H352 C35 C11 111.67 3.000
   FK5 H351 C35 C11 109.44 3.000
   FK5 H363 C36 H362 108.41 3.000
   FK5 H363 C36 H361 107.66 3.000
   FK5 H362 C36 H361 107.88 3.000
   FK5 H363 C36 C17 111.66 3.000
   FK5 H362 C36 C17 110.98 3.000
   FK5 H361 C36 C17 110.11 3.000
   FK5 H373 C37 H372 106.51 3.000
   FK5 H373 C37 H371 108.11 3.000
   FK5 H372 C37 H371 108.06 3.000
   FK5 H373 C37 C19 109.82 3.000
   FK5 H372 C37 C19 111.26 3.000
   FK5 H371 C37 C19 112.84 3.000
   FK5 H382 C38 H381 107.44 3.000
   FK5 H382 C38 C39 109.06 3.000
   FK5 H381 C38 C39 109.41 3.000
   FK5 H382 C38 C21 107.56 3.000
   FK5 H381 C38 C21 107.94 3.000
   FK5 C39 C38 C21 115.15 3.000
   FK5 H39 C39 C40 119.48 3.000
   FK5 H39 C39 C38 116.17 3.000
   FK5 C40 C39 C38 124.36 3.000
   FK5 H402 C40 H401 116.96 3.000
   FK5 H402 C40 C39 121.61 3.000
   FK5 H401 C40 C39 121.43 3.000
   FK5 H413 C41 H412 108.29 3.000
   FK5 H413 C41 H411 108.23 3.000
   FK5 H412 C41 H411 107.64 3.000
   FK5 H413 C41 C25 110.71 3.000
   FK5 H412 C41 C25 111.04 3.000
   FK5 H411 C41 C25 110.82 3.000
   FK5 H423 C42 H422 106.62 3.000
   FK5 H423 C42 H421 108.42 3.000
   FK5 H422 C42 H421 107.76 3.000
   FK5 H423 C42 C27 110.54 3.000
   FK5 H422 C42 C27 110.90 3.000
   FK5 H421 C42 C27 112.36 3.000
   FK5 C8 N7 C6 124.13 3.000
   FK5 C8 N7 C2 118.88 3.000
   FK5 C6 N7 C2 116.98 3.000
   FK5 C26 O1 C1 119.52 3.000
   FK5 C14 O5 C10 114.33 3.000
   FK5 HO6 O6 C10 110.25 3.000
   FK5 C43 O7 C13 113.69 3.000
   FK5 C44 O8 C15 117.34 3.000
   FK5 HO10 O10 C24 108.19 3.000
   FK5 C45 O11 C31 115.02 3.000
   FK5 HO12 O12 C32 107.89 3.000
   FK5 H433 C43 H432 108.94 3.000
   FK5 H433 C43 H431 109.25 3.000
   FK5 H432 C43 H431 109.06 3.000
   FK5 H433 C43 O7 110.77 3.000
   FK5 H432 C43 O7 111.68 3.000
   FK5 H431 C43 O7 107.09 3.000
   FK5 H443 C44 H442 109.36 3.000
   FK5 H443 C44 H441 108.45 3.000
   FK5 H442 C44 H441 109.16 3.000
   FK5 H443 C44 O8 111.72 3.000
   FK5 H442 C44 O8 111.89 3.000
   FK5 H441 C44 O8 106.14 3.000
   FK5 H453 C45 H452 108.99 3.000
   FK5 H453 C45 H451 108.95 3.000
   FK5 H452 C45 H451 109.42 3.000
   FK5 H453 C45 O11 110.88 3.000
   FK5 H452 C45 O11 111.63 3.000
   FK5 H451 C45 O11 106.91 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
   FK5 CONST_01 C9 C8 N7 C2 180.00 0.0 0
   FK5 CONST_02 C9 C8 N7 C6 0.00 0.0 0
   FK5 CONST_03 O3 C8 N7 C2 0.00 0.0 0
   FK5 CONST_04 O3 C8 N7 C6 180.00 0.0 0
   FK5 Var_01 C21 C20 C19 C18 -177.06 0.0 0
   FK5 Var_02 C4 C3 C2 C1 -77.72 30.0 3
   FK5 Var_03 C6 N7 C2 C1 76.54 30.0 1
   FK5 Var_04 C8 N7 C2 C1 -102.77 30.0 1
   FK5 Var_05 C25 C26 O1 C1 143.55 30.0 1
   FK5 Var_06 C26 O1 C1 C2 172.45 30.0 1
   FK5 Var_07 C5 C4 C3 C2 -54.67 30.0 1
   FK5 Var_08 C5 C6 N7 C2 53.59 30.0 3
   FK5 Var_09 O1 C1 C2 C3 137.30 30.0 1
   FK5 Var_10 C6 N7 C2 C3 -50.99 30.0 1
   FK5 Var_11 C8 N7 C2 C3 129.71 30.0 1
   FK5 Var_12 C6 C5 C4 C3 56.13 30.0 1
   FK5 Var_13 N7 C2 C3 C4 50.49 30.0 3
   FK5 Var_14 N7 C6 C5 C4 -54.37 30.0 1
   FK5 Var_15 C8 N7 C6 C5 -127.15 30.0 3
   FK5 Var_16 C11 C10 C9 C8 -54.96 30.0 1
   FK5 Var_17 O5 C10 C9 C8 64.26 30.0 1
   FK5 Var_18 C12 C11 C10 C9 166.51 30.0 3
   FK5 Var_19 C14 O5 C10 C9 -179.95 30.0 1
   FK5 Var_20 N7 C8 C9 C10 -116.19 30.0 1
   FK5 Var_21 C13 C12 C11 C10 -51.82 30.0 1
   FK5 Var_22 C13 C14 O5 C10 63.55 30.0 1
   FK5 Var_23 C15 C14 O5 C10 -173.18 30.0 1
   FK5 Var_24 C14 O5 C10 C11 -60.18 30.0 1
   FK5 Var_25 C14 C13 C12 C11 57.02 30.0 1
   FK5 Var_26 O5 C10 C11 C12 52.02 30.0 3
   FK5 Var_27 C15 C14 C13 C12 178.12 30.0 3
   FK5 Var_28 O5 C14 C13 C12 -60.20 30.0 3
   FK5 Var_29 C16 C15 C14 C13 -123.85 30.0 1
   FK5 Var_30 C17 C16 C15 C14 76.05 30.0 1
   FK5 Var_31 C18 C17 C16 C15 51.72 30.0 1
   FK5 Var_32 O5 C14 C15 C16 116.21 30.0 1
   FK5 Var_33 C19 C18 C17 C16 48.01 30.0 1
   FK5 Var_34 C20 C19 C18 C17 -123.32 30.0 1
   FK5 Var_35 C22 C21 C20 C19 -144.54 30.0 1
   FK5 Var_36 C23 C22 C21 C20 73.99 30.0 1
   FK5 Var_37 C24 C23 C22 C21 -165.37 30.0 1
   FK5 Var_38 C25 C24 C23 C22 154.42 30.0 1
   FK5 Var_39 C26 C25 C24 C23 -168.43 30.0 1
   FK5 Var_40 O1 C26 C25 C24 162.10 30.0 1
   FK5 Var_41 C32 C31 C30 C29 -55.57 30.0 1
   FK5 Var_42 C32 C33 C34 C29 56.16 30.0 1
   FK5 Var_43 C33 C34 C29 C30 -54.42 30.0 1
   FK5 Var_44 C33 C32 C31 C30 55.09 30.0 1
   FK5 Var_45 C34 C29 C30 C31 54.95 30.0 1
   FK5 Var_46 C34 C33 C32 C31 -56.32 30.0 1
   FK5 Var_47 O1 C1 C2 N7 10.67 30.0 1
   FK5 Var_48 C37 C19 C20 C21 0.28 0.0 0
   FK5 Var_49 C27 C26 O1 C1 -93.47 30.0 1
   FK5 Var_50 O2 C1 C2 C3 -45.17 30.0 1
   FK5 Var_51 O6 C10 C9 C8 -178.93 30.0 1
   FK5 Var_52 C35 C11 C10 C9 -67.12 30.0 3
   FK5 Var_53 O3 C8 C9 C10 71.13 30.0 1
   FK5 Var_54 O4 C9 C10 C11 117.31 30.0 1
   FK5 Var_55 O7 C13 C12 C11 178.12 30.0 1
   FK5 Var_56 O6 C10 C11 C12 -73.52 30.0 3
   FK5 Var_57 C35 C11 C12 C13 -178.38 30.0 1
   FK5 Var_58 O8 C15 C14 C13 108.57 30.0 1
   FK5 Var_59 O6 C10 O5 C14 66.61 30.0 1
   FK5 Var_60 O7 C13 C14 C15 55.77 30.0 3
   FK5 Var_61 C36 C17 C16 C15 -75.91 30.0 1
   FK5 Var_62 O8 C15 C16 C17 -155.53 30.0 1
   FK5 Var_63 C37 C19 C18 C17 59.13 30.0 1
   FK5 Var_64 C36 C17 C18 C19 177.88 30.0 1
   FK5 Var_65 C38 C21 C20 C19 89.96 30.0 1
   FK5 Var_66 O9 C22 C21 C20 -104.31 30.0 1
   FK5 Var_67 O10 C24 C23 C22 -81.32 30.0 1
   FK5 Var_68 C38 C21 C22 C23 -160.93 30.0 1
   FK5 Var_69 C41 C25 C24 C23 66.10 30.0 1
   FK5 Var_70 O9 C22 C23 C24 12.93 30.0 1
   FK5 Var_71 C27 C26 C25 C24 43.24 30.0 1
   FK5 Var_72 O10 C24 C25 C26 69.70 30.0 1
   FK5 Var_73 O2 C1 O1 C26 -4.99 30.0 1
   FK5 Var_74 C31 C30 C29 C28 176.86 30.0 1
   FK5 Var_75 C33 C34 C29 C28 -177.08 30.0 1
   FK5 Var_76 O11 C31 C30 C29 -177.73 30.0 1
   FK5 Var_77 O12 C32 C31 C30 177.40 30.0 1
   FK5 Var_78 O11 C31 C32 C33 174.75 30.0 1
   FK5 Var_79 O12 C32 C33 C34 -176.97 30.0 1
   FK5 Var_80 O5 C10 C11 C35 178.39 30.0 3
   FK5 Var_81 O1 C26 C25 C41 -71.30 30.0 1
   FK5 Var_82 O2 C1 C2 N7 -171.80 30.0 1
   FK5 Var_83 O4 C9 C8 N7 71.22 30.0 1
   FK5 Var_84 O5 C10 C9 O4 -123.47 30.0 1
   FK5 Var_85 O7 C13 C14 O5 177.45 30.0 3
   FK5 Var_86 O8 C15 C14 O5 -11.37 30.0 1
   FK5 Var_87 H20 C20 C19 C18 -0.10 0.0 0
   FK5 Var_88 H31A C3 C2 C1 45.62 30.0 3
   FK5 Var_89 H32A C3 C2 C1 161.73 30.0 3
   FK5 Var_90 H26 C26 O1 C1 25.45 30.0 1
   FK5 Var_91 H41 C4 C3 C2 66.08 30.0 1
   FK5 Var_92 H42 C4 C3 C2 -176.68 30.0 1
   FK5 Var_93 H61 C6 N7 C2 -66.78 30.0 3
   FK5 Var_94 H62 C6 N7 C2 176.99 30.0 3
   FK5 Var_95 H51 C5 C4 C3 176.44 30.0 1
   FK5 Var_96 H52 C5 C4 C3 -64.62 30.0 1
   FK5 Var_97 H2 C2 C3 C4 167.45 30.0 3
   FK5 Var_98 H11 C11 C10 C9 51.19 30.0 3
   FK5 Var_99 H121 C12 C11 C10 69.13 30.0 1
   FK5 Var_100 H122 C12 C11 C10 -173.37 30.0 1
   FK5 Var_101 H14 C14 O5 C10 -54.19 30.0 1
   FK5 Var_102 H13 C13 C12 C11 -60.59 30.0 1
   FK5 Var_103 H15 C15 C14 C13 -3.78 30.0 1
   FK5 Var_104 H161 C16 C15 C14 -163.89 30.0 1
   FK5 Var_105 H162 C16 C15 C14 -49.64 30.0 1
   FK5 Var_106 H17 C17 C16 C15 168.34 30.0 1
   FK5 Var_107 H181 C18 C17 C16 169.30 30.0 1
   FK5 Var_108 H182 C18 C17 C16 -75.44 30.0 1
   FK5 Var_109 H21 C21 C20 C19 -29.27 30.0 1
   FK5 Var_110 H231 C23 C22 C21 -41.94 30.0 1
   FK5 Var_111 H232 C23 C22 C21 71.61 30.0 1
   FK5 Var_112 H24 C24 C23 C22 35.46 30.0 1
   FK5 Var_113 H25 C25 C24 C23 -52.30 30.0 1
   FK5 Var_114 H31 C31 C30 C29 63.86 30.0 1
   FK5 Var_115 H331 C33 C34 C29 -64.20 30.0 1
   FK5 Var_116 H332 C33 C34 C29 177.78 30.0 1
   FK5 Var_117 H341 C34 C29 C30 66.90 30.0 1
   FK5 Var_118 H342 C34 C29 C30 -176.53 30.0 1
   FK5 Var_119 H32 C32 C31 C30 -64.56 30.0 1
   FK5 Var_120 H29 C29 C30 C31 -62.29 30.0 1
   FK5 Var_121 H301 C30 C31 C32 -178.14 30.0 1
   FK5 Var_122 H302 C30 C31 C32 65.70 30.0 1
   FK5 Var_123 C29 C28 C27 C26 171.82 0.0 2
   FK5 Var_124 C43 O7 C13 C12 89.44 30.0 3
   FK5 Var_125 C43 O7 C13 C14 -149.33 30.0 3
   FK5 Var_126 C44 O8 C15 C14 84.33 30.0 3
   FK5 Var_127 C44 O8 C15 C16 -45.53 30.0 3
   FK5 Var_128 C39 C38 C21 C20 48.01 30.0 3
   FK5 Var_129 C39 C38 C21 C22 -74.72 30.0 3
   FK5 Var_130 C28 C27 C26 C25 -113.72 30.0 3
   FK5 Var_131 C42 C27 C26 C25 62.86 30.0 3
   FK5 Var_132 C41 C25 C26 C27 169.85 30.0 1
   FK5 Var_133 C30 C29 C28 C27 135.14 30.0 3
   FK5 Var_134 C34 C29 C28 C27 -102.92 30.0 3
   FK5 Var_135 O1 C26 C27 C28 129.69 30.0 2
   FK5 Var_136 C45 O11 C31 C30 -141.32 30.0 3
   FK5 Var_137 C45 O11 C31 C32 97.16 30.0 3
   FK5 Var_138 O6 C10 C11 C35 52.85 30.0 3
   FK5 Var_139 O9 C22 C21 C38 20.77 30.0 1
   FK5 Var_140 O10 C24 C25 C41 -55.77 30.0 1
   FK5 Var_141 O1 C26 C27 C42 -53.73 30.0 2
   FK5 Var_142 O4 C9 C8 O3 -101.46 30.0 1
   FK5 Var_143 O6 C10 C9 O4 -6.66 30.0 1
   FK5 Var_144 O12 C32 C31 O11 -62.94 30.0 1
   FK5 Var_145 HO6 O6 C10 C9 150.43 30.0 3
   FK5 Var_146 H351 C35 C11 C10 175.84 30.0 3
   FK5 Var_147 H352 C35 C11 C10 -64.86 30.0 3
   FK5 Var_148 H353 C35 C11 C10 56.48 30.0 3
   FK5 Var_149 H361 C36 C17 C16 -170.17 30.0 3
   FK5 Var_150 H362 C36 C17 C16 -50.78 30.0 3
   FK5 Var_151 H363 C36 C17 C16 70.30 30.0 3
   FK5 Var_152 H371 C37 C19 C18 177.20 30.0 3
   FK5 Var_153 H372 C37 C19 C18 -61.15 30.0 3
   FK5 Var_154 H373 C37 C19 C18 56.52 30.0 3
   FK5 Var_155 H381 C38 C21 C20 170.55 30.0 3
   FK5 Var_156 H382 C38 C21 C20 -73.79 30.0 3
   FK5 Var_157 HO10 O10 C24 C23 156.50 30.0 3
   FK5 Var_158 H411 C41 C25 C24 178.63 30.0 3
   FK5 Var_159 H412 C41 C25 C24 -61.79 30.0 3
   FK5 Var_160 H413 C41 C25 C24 58.53 30.0 3
   FK5 Var_161 H28 C28 C29 C30 -49.10 30.0 1
   FK5 Var_162 HO12 O12 C32 C31 178.43 30.0 3
   FK5 Var_163 C42 C27 C28 C29 -4.41 0.0 2
   FK5 Var_164 C40 C39 C38 C21 -118.04 30.0 3
   FK5 Var_165 H431 C43 O7 C13 179.75 30.0 3
   FK5 Var_166 H432 C43 O7 C13 -60.92 30.0 3
   FK5 Var_167 H433 C43 O7 C13 60.70 30.0 3
   FK5 Var_168 H441 C44 O8 C15 -171.50 30.0 3
   FK5 Var_169 H442 C44 O8 C15 -52.52 30.0 3
   FK5 Var_170 H443 C44 O8 C15 70.48 30.0 3
   FK5 Var_171 H39 C39 C38 C21 61.93 30.0 3
   FK5 Var_172 H421 C42 C27 C26 172.94 30.0 3
   FK5 Var_173 H422 C42 C27 C26 -66.37 30.0 3
   FK5 Var_174 H423 C42 C27 C26 51.67 30.0 3
   FK5 Var_175 H451 C45 O11 C31 175.12 30.0 3
   FK5 Var_176 H452 C45 O11 C31 -65.25 30.0 3
   FK5 Var_177 H453 C45 O11 C31 56.48 30.0 3
   FK5 Var_178 H401 C40 C39 C38 0.43 0.0 2
   FK5 Var_179 H402 C40 C39 C38 -179.55 0.0 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
   FK5 chir_01 C2 C1 C3 N7 positiv
   FK5 chir_02 C10 O5 C9 C11 negativ
   FK5 chir_03 C11 C10 C12 C35 negativ
   FK5 chir_04 C13 O7 C14 C12 positiv
   FK5 chir_05 C14 O5 C15 C13 positiv
   FK5 chir_06 C15 O8 C16 C14 negativ
   FK5 chir_07 C17 C16 C18 C36 positiv
   FK5 chir_08 C21 C20 C22 C38 positiv
   FK5 chir_09 C24 O10 C23 C25 negativ
   FK5 chir_10 C25 C24 C26 C41 positiv
   FK5 chir_11 C26 O1 C25 C27 negativ
   FK5 chir_12 C29 C28 C30 C34 negativ
   FK5 chir_13 C31 O11 C30 C32 positiv
   FK5 chir_14 C32 O12 C31 C33 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
   FK5 plan-1 C2 0.020
   FK5 plan-1 C6 0.020
   FK5 plan-1 C8 0.020
   FK5 plan-1 C9 0.020
   FK5 plan-1 N7 0.020
   FK5 plan-1 O3 0.020
   FK5 plan-2 C26 0.020
   FK5 plan-2 C27 0.020
   FK5 plan-2 C28 0.020
   FK5 plan-2 C29 0.020
   FK5 plan-2 C42 0.020
   FK5 plan-2 H28 0.020
   FK5 plan-3 C38 0.020
   FK5 plan-3 C39 0.020
   FK5 plan-3 C40 0.020
   FK5 plan-3 H39 0.020
   FK5 plan-3 H401 0.020
   FK5 plan-3 H402 0.020
   FK5 plan-4 C8 0.020
   FK5 plan-4 C9 0.020
   FK5 plan-4 C10 0.020
   FK5 plan-4 O4 0.020
   FK5 plan-5 C21 0.020
   FK5 plan-5 C22 0.020
   FK5 plan-5 C23 0.020
   FK5 plan-5 O9 0.020
   FK5 plan-6 C1 0.020
   FK5 plan-6 C2 0.020
   FK5 plan-6 O1 0.020
   FK5 plan-6 O2 0.020
   FK5 plan-7 C18 0.020
   FK5 plan-7 C19 0.020
   FK5 plan-7 C20 0.020
   FK5 plan-7 C21 0.020
   FK5 plan-7 C37 0.020
   FK5 plan-7 H20 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   FK5 plan-1
   FK5 plan-2
   FK5 plan-3
   FK5 plan-4
   FK5 plan-5
   FK5 plan-6
   FK5 plan-7

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
   FK5 FK5 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN ligand 126 57 .

