data_1iqz_qFit
_cell.length_a                    69.700
_cell.length_b                    37.450
_cell.length_c                    32.560
_cell.angle_alpha                 90.000
_cell.angle_beta                  105.700
_cell.angle_gamma                 90.000
_cell.volume                      81819.394
_space_group.crystal_system       monoclinic
_space_group.IT_number            5
_space_group.name_H-M_alt         'C 1 2 1'
_space_group.name_Hall            ' C 2y'
_symmetry.space_group_name_H-M    'C 1 2 1'
_symmetry.space_group_name_Hall   ' C 2y'
_symmetry.Int_Tables_number       5
_reflns.B_iso_Wilson_estimate     5.65
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              6.97
_refine.ls_d_res_high             0.93
_refine.pdbx_ls_sigma_F           1.33
_refine.ls_percent_reflns_obs     88.52
_refine.ls_number_reflns_obs      48622
_refine.ls_number_reflns_R_work   46622
_refine.ls_number_reflns_R_free   2000
_refine.ls_R_factor_obs           0.1169
_refine.ls_R_factor_R_work        0.1162
_refine.ls_R_factor_R_free        0.1315
_refine.ls_percent_reflns_R_free  4.11
_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             0.0565
_refine.pdbx_overall_phase_error  11.8609
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                8.71
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 -x,y,-z
   3 x+1/2,y+1/2,z
   4 -x+1/2,y+1/2,-z

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

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

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

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

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 1447 0.0184 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2049 1.8664 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 223 2.8253 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 287 0.0109 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 549 11.4617 ? ?

loop_
  _refine_ls_shell.pdbx_refine_id
  _refine_ls_shell.d_res_high
  _refine_ls_shell.d_res_low
  _refine_ls_shell.number_reflns_R_work
  _refine_ls_shell.R_factor_R_work
  _refine_ls_shell.percent_reflns_obs
  _refine_ls_shell.R_factor_R_free
  _refine_ls_shell.number_reflns_R_free
   'X-RAY DIFFRACTION' 2.21 6.97 3295 0.1228 85.66 0.1610 141
   'X-RAY DIFFRACTION' 1.76 2.21 3451 0.1122 90.56 0.1104 148
   'X-RAY DIFFRACTION' 1.54 1.76 3394 0.1025 90.47 0.0977 146
   'X-RAY DIFFRACTION' 1.40 1.54 3384 0.1077 89.66 0.1164 145
   'X-RAY DIFFRACTION' 1.30 1.40 3378 0.1095 89.92 0.1199 145
   'X-RAY DIFFRACTION' 1.23 1.30 3435 0.1108 91.01 0.1530 147
   'X-RAY DIFFRACTION' 1.17 1.23 3374 0.1072 90.86 0.1131 145
   'X-RAY DIFFRACTION' 1.11 1.17 3423 0.1052 90.63 0.1272 148
   'X-RAY DIFFRACTION' 1.07 1.11 3293 0.1105 88.35 0.1187 141
   'X-RAY DIFFRACTION' 1.03 1.07 3321 0.1153 88.72 0.1415 141
   'X-RAY DIFFRACTION' 1.00 1.03 3314 0.1310 87.76 0.1400 143
   'X-RAY DIFFRACTION' 0.97 1.00 3279 0.1362 88.21 0.1538 140
   'X-RAY DIFFRACTION' 0.95 0.97 3308 0.1459 88.10 0.1624 143
   'X-RAY DIFFRACTION' 0.93 0.95 2973 0.1825 79.47 0.1960 127

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 metalc CYS A 11 SG CYS A 11 SG . SF4 A 82 FE4 SF4 C . FE4 . .
   C00002 metalc CYS A 11 SG CYS A 11 SG . SF4 A 82 FE4 SF4 C . FE4 . .
   C00003 metalc CYS A 14 SG CYS A 14 SG . SF4 A 82 FE2 SF4 C . FE2 . .
   C00004 metalc CYS A 14 SG CYS A 14 SG . SF4 A 82 FE2 SF4 C . FE2 . .
   C00005 metalc CYS A 14 SG CYS A 14 SG . SF4 A 82 FE2 SF4 C . FE2 . .
   C00006 metalc CYS A 17 SG CYS A 17 SG . SF4 A 82 FE3 SF4 C . FE3 . .
   C00007 metalc CYS A 17 SG CYS A 17 SG . SF4 A 82 FE3 SF4 C . FE3 . .
   C00008 metalc CYS A 17 SG CYS A 17 SG . SF4 A 82 FE3 SF4 C . FE3 . .
   C00009 metalc CYS A 61 SG CYS A 61 SG . SF4 A 82 FE1 SF4 C . FE1 . .
   C00010 metalc CYS A 61 SG CYS A 61 SG . SF4 A 82 FE1 SF4 C . FE1 . .
   C00011 metalc CYS A 61 SG CYS A 61 SG . SF4 A 82 FE1 SF4 C . FE1 . .
   C00012 metalc CYS A 61 SG CYS A 61 SG . SF4 A 82 FE1 SF4 C . FE1 . .

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 2.51340 1.74867 1.72398 . 31.80534 0.44561 10.58317 . 0.0 
;
3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Fe . . 13.53868 8.76290 3.62829 . 5.59997 0.29039 49.61845 . 0.0 
;
3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   H . . 0.53795 0.34799 0.11320 . 10.08003 29.74760 2.57510 . 0.0 
;
3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 2.99955 2.25584 1.72788 . 23.27268 7.45433 0.31622 . 0.0 
;
3-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   HOH
   ILE
   LEU
   LYS
   MET
   PHE
   PRO
   SER
   SF4
   SO4
   THR
   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 . PRO A 1 ? 50.58771 5.89589 -11.34802 1.000 14.28605 N ? A ? 1 N 1
   ATOM 2 CA . PRO A 1 ? 50.10776 7.18774 -11.81022 1.000 11.32798 C ? A ? 1 CA 1
   ATOM 3 C . PRO A 1 ? 50.25496 8.20767 -10.73394 1.000 8.16101 C ? A ? 1 C 1
   ATOM 4 O . PRO A 1 ? 50.57536 7.89903 -9.57818 1.000 10.64195 O ? A ? 1 O 1
   ATOM 5 CB . PRO A 1 ? 48.65142 6.94078 -12.10158 1.000 19.76782 C ? A ? 1 CB 1
   ATOM 6 CG . PRO A 1 ? 48.27609 5.77643 -11.08955 1.000 23.94179 C ? A ? 1 CG 1
   ATOM 7 CD . PRO A 1 ? 49.52819 5.06423 -10.76080 1.000 19.90273 C ? A ? 1 CD 1
   ATOM 8 H2 . PRO A 1 ? 51.26539 6.04145 -10.68381 1.000 17.14326 H ? A ? 1 H2 1
   ATOM 9 H3 . PRO A 1 ? 50.96684 5.42588 -12.09431 1.000 17.14326 H ? A ? 1 H3 1
   ATOM 10 HA . PRO A 1 ? 50.54909 7.47072 -12.62634 1.000 13.59358 H ? A ? 1 HA 1
   ATOM 11 HB2 . PRO A 1 ? 48.13165 7.74137 -11.92900 1.000 23.72138 H ? A ? 1 HB2 1
   ATOM 12 HB3 . PRO A 1 ? 48.53370 6.66099 -13.02287 1.000 23.72138 H ? A ? 1 HB3 1
   ATOM 13 HG2 . PRO A 1 ? 47.88418 6.15957 -10.28924 1.000 28.73015 H ? A ? 1 HG2 1
   ATOM 14 HG3 . PRO A 1 ? 47.64455 5.17369 -11.51236 1.000 28.73015 H ? A ? 1 HG3 1
   ATOM 15 HD2 . PRO A 1 ? 49.64029 4.99787 -9.79959 1.000 23.88327 H ? A ? 1 HD2 1
   ATOM 16 HD3 . PRO A 1 ? 49.53084 4.17885 -11.15703 1.000 23.88327 H ? A ? 1 HD3 1
   ATOM 17 N . LYS A 2 ? 49.99018 9.45696 -11.12457 1.000 7.67665 N ? A ? 2 N 1
   ATOM 18 CA . LYS A 2 ? 49.96246 10.56455 -10.20294 1.000 5.82541 C ? A ? 2 CA 1
   ATOM 19 C . LYS A 2 ? 48.72302 11.39198 -10.38818 1.000 4.46357 C ? A ? 2 C 1
   ATOM 20 O . LYS A 2 ? 48.23963 11.60604 -11.50222 1.000 6.02286 O ? A ? 2 O 1
   ATOM 21 H . LYS A 2 ? 49.82153 9.67989 -11.93788 1.000 9.21198 H ? A ? 2 H 1
   ATOM 22 HA . LYS A 2 ? 49.95936 10.24497 -9.28710 1.000 6.99050 H ? A ? 2 HA 1
   ATOM 23 CB A LYS A 2 ? 51.21097 11.50092 -10.25820 0.494 7.68953 C ? A ? 2 CB 1
   ATOM 24 CG A LYS A 2 ? 52.55724 10.79228 -9.94157 0.494 8.27501 C ? A ? 2 CG 1
   ATOM 25 CD A LYS A 2 ? 52.86525 10.55585 -8.36060 0.494 10.19604 C ? A ? 2 CD 1
   ATOM 26 CE A LYS A 2 ? 54.25265 10.01107 -8.26979 0.494 10.86862 C ? A ? 2 CE 1
   ATOM 27 NZ A LYS A 2 ? 54.22794 9.18337 -7.07776 0.494 12.19496 N ? A ? 2 NZ 1
   ATOM 28 HB2 A LYS A 2 ? 51.27851 11.87446 -11.15084 0.494 9.22744 H ? A ? 2 HB2 1
   ATOM 29 HB3 A LYS A 2 ? 51.09358 12.21203 -9.60901 0.494 9.22744 H ? A ? 2 HB3 1
   ATOM 30 HG2 A LYS A 2 ? 52.55276 9.92105 -10.36799 0.494 9.93002 H ? A ? 2 HG2 1
   ATOM 31 HG3 A LYS A 2 ? 53.27943 11.33262 -10.29847 0.494 9.93002 H ? A ? 2 HG3 1
   ATOM 32 HD2 A LYS A 2 ? 52.81335 11.39437 -7.87574 0.494 12.23525 H ? A ? 2 HD2 1
   ATOM 33 HD3 A LYS A 2 ? 52.24011 9.91625 -7.98510 0.494 12.23525 H ? A ? 2 HD3 1
   ATOM 34 HE2 A LYS A 2 ? 54.46810 9.47313 -9.04767 0.494 13.04234 H ? A ? 2 HE2 1
   ATOM 35 HE3 A LYS A 2 ? 54.90205 10.72462 -8.16969 0.494 13.04234 H ? A ? 2 HE3 1
   ATOM 36 HZ1 A LYS A 2 ? 55.05815 9.03203 -6.79500 0.494 14.63395 H ? A ? 2 HZ1 1
   ATOM 37 HZ2 A LYS A 2 ? 53.77306 9.59331 -6.43190 0.494 14.63395 H ? A ? 2 HZ2 1
   ATOM 38 HZ3 A LYS A 2 ? 53.83707 8.40400 -7.25639 0.494 14.63395 H ? A ? 2 HZ3 1
   ATOM 39 CB B LYS A 2 ? 51.18011 11.45183 -10.51760 0.506 6.83141 C ? A ? 2 CB 1
   ATOM 40 CG B LYS A 2 ? 52.64430 10.82400 -10.33429 0.506 5.77681 C ? A ? 2 CG 1
   ATOM 41 CD B LYS A 2 ? 52.80925 10.48743 -8.90543 0.506 8.25327 C ? A ? 2 CD 1
   ATOM 42 CE B LYS A 2 ? 53.99451 9.55139 -8.64196 0.506 9.34110 C ? A ? 2 CE 1
   ATOM 43 NZ B LYS A 2 ? 54.47620 9.58577 -7.21909 0.506 11.31617 N ? A ? 2 NZ 1
   ATOM 44 HB2 B LYS A 2 ? 51.11140 11.72762 -11.44502 0.506 8.19769 H ? A ? 2 HB2 1
   ATOM 45 HB3 B LYS A 2 ? 51.13691 12.22748 -9.93674 0.506 8.19769 H ? A ? 2 HB3 1
   ATOM 46 HG2 B LYS A 2 ? 52.73351 10.01799 -10.86655 0.506 6.93217 H ? A ? 2 HG2 1
   ATOM 47 HG3 B LYS A 2 ? 53.32132 11.46881 -10.59267 0.506 6.93217 H ? A ? 2 HG3 1
   ATOM 48 HD2 B LYS A 2 ? 52.95729 11.30450 -8.40405 0.506 9.90392 H ? A ? 2 HD2 1
   ATOM 49 HD3 B LYS A 2 ? 52.00493 10.04607 -8.59053 0.506 9.90392 H ? A ? 2 HD3 1
   ATOM 50 HE2 B LYS A 2 ? 53.72643 8.64110 -8.84298 0.506 11.20931 H ? A ? 2 HE2 1
   ATOM 51 HE3 B LYS A 2 ? 54.73410 9.81308 -9.21242 0.506 11.20931 H ? A ? 2 HE3 1
   ATOM 52 HZ1 B LYS A 2 ? 54.42290 8.77319 -6.85996 0.506 13.57941 H ? A ? 2 HZ1 1
   ATOM 53 HZ2 B LYS A 2 ? 55.32271 9.85910 -7.19081 0.506 13.57941 H ? A ? 2 HZ2 1
   ATOM 54 HZ3 B LYS A 2 ? 53.97572 10.14592 -6.74175 0.506 13.57941 H ? A ? 2 HZ3 1
   ATOM 55 N . TYR A 3 ? 48.21799 11.89096 -9.25683 1.000 4.08032 N ? A ? 3 N 1
   ATOM 56 CA . TYR A 3 ? 47.06205 12.77443 -9.17194 1.000 3.95180 C ? A ? 3 CA 1
   ATOM 57 C . TYR A 3 ? 47.46731 13.97739 -8.31579 1.000 3.74736 C ? A ? 3 C 1
   ATOM 58 O . TYR A 3 ? 48.31011 13.85544 -7.42431 1.000 4.13229 O ? A ? 3 O 1
   ATOM 59 H . TYR A 3 ? 48.55005 11.71966 -8.48224 1.000 4.89638 H ? A ? 3 H 1
   ATOM 60 HA . TYR A 3 ? 46.78274 13.07913 -10.04946 1.000 4.74216 H ? A ? 3 HA 1
   ATOM 61 CB A TYR A 3 ? 45.86699 12.04260 -8.50597 0.554 4.55910 C ? A ? 3 CB 1
   ATOM 62 CG A TYR A 3 ? 45.44036 10.83187 -9.28506 0.554 4.76590 C ? A ? 3 CG 1
   ATOM 63 CD1 A TYR A 3 ? 46.08605 9.59807 -9.09142 0.554 5.35302 C ? A ? 3 CD1 1
   ATOM 64 CD2 A TYR A 3 ? 44.47928 10.91691 -10.27072 0.554 5.45111 C ? A ? 3 CD2 1
   ATOM 65 CE1 A TYR A 3 ? 45.77922 8.49347 -9.83842 0.554 5.86236 C ? A ? 3 CE1 1
   ATOM 66 CE2 A TYR A 3 ? 44.15512 9.80741 -11.04152 0.554 6.06242 C ? A ? 3 CE2 1
   ATOM 67 CZ A TYR A 3 ? 44.80426 8.59768 -10.83766 0.554 6.02503 C ? A ? 3 CZ 1
   ATOM 68 OH A TYR A 3 ? 44.45408 7.47647 -11.58283 0.554 8.87245 O ? A ? 3 OH 1
   ATOM 69 HB2 A TYR A 3 ? 46.12575 11.75491 -7.61648 0.554 5.47092 H ? A ? 3 HB2 1
   ATOM 70 HB3 A TYR A 3 ? 45.11232 12.64959 -8.45189 0.554 5.47092 H ? A ? 3 HB3 1
   ATOM 71 HD1 A TYR A 3 ? 46.74186 9.53063 -8.43548 0.554 6.42362 H ? A ? 3 HD1 1
   ATOM 72 HD2 A TYR A 3 ? 44.04397 11.72491 -10.42082 0.554 6.54133 H ? A ? 3 HD2 1
   ATOM 73 HE1 A TYR A 3 ? 46.21221 7.68493 -9.68450 0.554 7.03483 H ? A ? 3 HE1 1
   ATOM 74 HE2 A TYR A 3 ? 43.49958 9.87567 -11.69766 0.554 7.27490 H ? A ? 3 HE2 1
   ATOM 75 HH A TYR A 3 ? 43.91062 7.69090 -12.18638 0.554 10.64695 H ? A ? 3 HH 1
   ATOM 76 CB B TYR A 3 ? 45.85106 12.06684 -8.56478 0.446 4.61374 C ? A ? 3 CB 1
   ATOM 77 CG B TYR A 3 ? 45.48927 10.76809 -9.25572 0.446 4.98978 C ? A ? 3 CG 1
   ATOM 78 CD1 B TYR A 3 ? 46.09757 9.57533 -8.88074 0.446 5.39949 C ? A ? 3 CD1 1
   ATOM 79 CD2 B TYR A 3 ? 44.59913 10.72299 -10.30923 0.446 5.82265 C ? A ? 3 CD2 1
   ATOM 80 CE1 B TYR A 3 ? 45.81229 8.40007 -9.48770 0.446 5.99196 C ? A ? 3 CE1 1
   ATOM 81 CE2 B TYR A 3 ? 44.26509 9.48665 -10.92013 0.446 6.02680 C ? A ? 3 CE2 1
   ATOM 82 CZ B TYR A 3 ? 44.90188 8.33679 -10.51994 0.446 5.10048 C ? A ? 3 CZ 1
   ATOM 83 OH B TYR A 3 ? 44.58082 7.15439 -11.15020 0.446 6.93688 O ? A ? 3 OH 1
   ATOM 84 HB2 B TYR A 3 ? 46.04245 11.86398 -7.63574 0.446 5.53649 H ? A ? 3 HB2 1
   ATOM 85 HB3 B TYR A 3 ? 45.08352 12.65697 -8.62420 0.446 5.53649 H ? A ? 3 HB3 1
   ATOM 86 HD1 B TYR A 3 ? 46.72068 9.58561 -8.19043 0.446 6.47939 H ? A ? 3 HD1 1
   ATOM 87 HD2 B TYR A 3 ? 44.21469 11.51007 -10.62167 0.446 6.98719 H ? A ? 3 HD2 1
   ATOM 88 HE1 B TYR A 3 ? 46.23725 7.62311 -9.20375 0.446 7.19035 H ? A ? 3 HE1 1
   ATOM 89 HE2 B TYR A 3 ? 43.61855 9.45478 -11.58787 0.446 7.23216 H ? A ? 3 HE2 1
   ATOM 90 HH B TYR A 3 ? 44.07874 7.30572 -11.80641 0.446 8.32426 H ? A ? 3 HH 1
   ATOM 91 N A THR A 4 ? 46.89937 15.15271 -8.61387 0.549 3.69775 N ? A ? 4 N 1
   ATOM 92 CA A THR A 4 ? 47.18214 16.36559 -7.80641 0.549 3.66773 C ? A ? 4 CA 1
   ATOM 93 C A THR A 4 ? 45.90757 17.19256 -7.62365 0.549 3.29765 C ? A ? 4 C 1
   ATOM 94 O A THR A 4 ? 44.96171 17.11736 -8.42102 0.549 3.80869 O ? A ? 4 O 1
   ATOM 95 CB A THR A 4 ? 48.33762 17.15176 -8.46803 0.549 3.54773 C ? A ? 4 CB 1
   ATOM 96 OG1 A THR A 4 ? 48.78838 18.21133 -7.62852 0.549 3.81826 O ? A ? 4 OG1 1
   ATOM 97 CG2 A THR A 4 ? 47.98302 17.74760 -9.83895 0.549 4.36479 C ? A ? 4 CG2 1
   ATOM 98 H A THR A 4 ? 46.35438 15.27884 -9.26707 0.549 4.43729 H ? A ? 4 H 1
   ATOM 99 HA A THR A 4 ? 47.44781 16.13905 -6.90142 0.549 4.40128 H ? A ? 4 HA 1
   ATOM 100 HB A THR A 4 ? 49.04603 16.50393 -8.60724 0.549 4.25728 H ? A ? 4 HB 1
   ATOM 101 HG1 A THR A 4 ? 49.60279 18.36215 -7.76848 0.549 4.58191 H ? A ? 4 HG1 1
   ATOM 102 HG21 A THR A 4 ? 48.77007 18.14814 -10.24023 0.549 5.23775 H ? A ? 4 HG21 1
   ATOM 103 HG22 A THR A 4 ? 47.64938 17.05189 -10.42681 0.549 5.23775 H ? A ? 4 HG22 1
   ATOM 104 HG23 A THR A 4 ? 47.29987 18.42879 -9.73796 0.549 5.23775 H ? A ? 4 HG23 1
   ATOM 105 N B THR A 4 ? 46.75311 15.05995 -8.50776 0.451 3.36722 N ? A ? 4 N 1
   ATOM 106 CA B THR A 4 ? 47.11058 16.27088 -7.76442 0.451 3.61907 C ? A ? 4 CA 1
   ATOM 107 C B THR A 4 ? 45.84481 17.08568 -7.56623 0.451 3.56807 C ? A ? 4 C 1
   ATOM 108 O B THR A 4 ? 44.84961 16.89373 -8.27954 0.451 4.08838 O ? A ? 4 O 1
   ATOM 109 CB B THR A 4 ? 48.22515 17.04963 -8.49430 0.451 3.53233 C ? A ? 4 CB 1
   ATOM 110 OG1 B THR A 4 ? 48.67127 18.17249 -7.71015 0.451 3.77973 O ? A ? 4 OG1 1
   ATOM 111 CG2 B THR A 4 ? 47.81733 17.57229 -9.87712 0.451 4.18051 C ? A ? 4 CG2 1
   ATOM 112 H B THR A 4 ? 46.08070 15.12871 -9.03948 0.451 4.04066 H ? A ? 4 H 1
   ATOM 113 HA B THR A 4 ? 47.45115 16.06087 -6.88078 0.451 4.34289 H ? A ? 4 HA 1
   ATOM 114 HB B THR A 4 ? 48.94590 16.41353 -8.62385 0.451 4.23880 H ? A ? 4 HB 1
   ATOM 115 HG1 B THR A 4 ? 48.32758 18.14273 -6.94426 0.451 4.53567 H ? A ? 4 HG1 1
   ATOM 116 HG21 B THR A 4 ? 48.55653 18.05302 -10.28134 0.451 5.01662 H ? A ? 4 HG21 1
   ATOM 117 HG22 B THR A 4 ? 47.57150 16.83119 -10.45265 0.451 5.01662 H ? A ? 4 HG22 1
   ATOM 118 HG23 B THR A 4 ? 47.05929 18.17189 -9.79486 0.451 5.01662 H ? A ? 4 HG23 1
   ATOM 119 N . ILE A 5 ? 45.89219 17.98515 -6.55812 1.000 3.80621 N ? A ? 5 N 1
   ATOM 120 CA . ILE A 5 ? 44.71259 18.75066 -6.11670 1.000 3.88364 C ? A ? 5 CA 1
   ATOM 121 C . ILE A 5 ? 45.23621 19.86950 -5.22804 1.000 3.54652 C ? A ? 5 C 1
   ATOM 122 O . ILE A 5 ? 46.28944 19.73384 -4.62347 1.000 4.61463 O ? A ? 5 O 1
   ATOM 123 HA . ILE A 5 ? 44.24793 19.13864 -6.87463 1.000 4.66037 H ? A ? 5 HA 1
   ATOM 124 CB A ILE A 5 ? 43.68761 17.82843 -5.38285 0.533 4.32537 C ? A ? 5 CB 1
   ATOM 125 CG1 A ILE A 5 ? 42.36525 18.52622 -5.06853 0.533 4.53215 C ? A ? 5 CG1 1
   ATOM 126 CG2 A ILE A 5 ? 44.30687 17.19090 -4.13229 0.533 4.31727 C ? A ? 5 CG2 1
   ATOM 127 CD1 A ILE A 5 ? 41.26132 17.54825 -4.62135 0.533 5.12139 C ? A ? 5 CD1 1
   ATOM 128 H A ILE A 5 ? 46.57470 18.10668 -6.04919 0.549 4.56745 H ? A ? 5 H 1
   ATOM 129 HB A ILE A 5 ? 43.46967 17.11831 -6.00665 0.533 5.19044 H ? A ? 5 HB 1
   ATOM 130 HG12 A ILE A 5 ? 42.50828 19.16432 -4.35210 0.533 5.43858 H ? A ? 5 HG12 1
   ATOM 131 HG13 A ILE A 5 ? 42.05430 18.98525 -5.86446 0.533 5.43858 H ? A ? 5 HG13 1
   ATOM 132 HG21 A ILE A 5 ? 43.66503 16.57921 -3.73887 0.533 5.18072 H ? A ? 5 HG21 1
   ATOM 133 HG22 A ILE A 5 ? 45.10920 16.70929 -4.38768 0.533 5.18072 H ? A ? 5 HG22 1
   ATOM 134 HG23 A ILE A 5 ? 44.52878 17.89050 -3.49808 0.533 5.18072 H ? A ? 5 HG23 1
   ATOM 135 HD11 A ILE A 5 ? 40.42048 18.02792 -4.55971 0.533 6.14567 H ? A ? 5 HD11 1
   ATOM 136 HD12 A ILE A 5 ? 41.18800 16.83476 -5.27439 0.533 6.14567 H ? A ? 5 HD12 1
   ATOM 137 HD13 A ILE A 5 ? 41.49683 17.18086 -3.75507 0.533 6.14567 H ? A ? 5 HD13 1
   ATOM 138 CB B ILE A 5 ? 43.70379 17.82068 -5.39617 0.178 4.35741 C ? A ? 5 CB 1
   ATOM 139 CG1 B ILE A 5 ? 42.36880 18.51780 -5.12170 0.178 4.51965 C ? A ? 5 CG1 1
   ATOM 140 CG2 B ILE A 5 ? 44.32320 17.23557 -4.12514 0.178 4.25611 C ? A ? 5 CG2 1
   ATOM 141 CD1 B ILE A 5 ? 41.27929 17.56500 -4.62561 0.178 5.09589 C ? A ? 5 CD1 1
   ATOM 142 H B ILE A 5 ? 46.60460 18.16853 -6.11265 0.451 4.56745 H ? A ? 5 H 1
   ATOM 143 HB B ILE A 5 ? 43.50365 17.08500 -5.99585 0.178 5.22890 H ? A ? 5 HB 1
   ATOM 144 HG12 B ILE A 5 ? 42.50331 19.19649 -4.44185 0.178 5.42359 H ? A ? 5 HG12 1
   ATOM 145 HG13 B ILE A 5 ? 42.05465 18.92816 -5.94256 0.178 5.42359 H ? A ? 5 HG13 1
   ATOM 146 HG21 B ILE A 5 ? 43.72211 16.56787 -3.75939 0.178 5.10734 H ? A ? 5 HG21 1
   ATOM 147 HG22 B ILE A 5 ? 45.17467 16.82768 -4.34766 0.178 5.10734 H ? A ? 5 HG22 1
   ATOM 148 HG23 B ILE A 5 ? 44.45631 17.94889 -3.48144 0.178 5.10734 H ? A ? 5 HG23 1
   ATOM 149 HD11 B ILE A 5 ? 40.43816 18.04556 -4.57594 0.178 6.11507 H ? A ? 5 HD11 1
   ATOM 150 HD12 B ILE A 5 ? 41.20081 16.82417 -5.24683 0.178 6.11507 H ? A ? 5 HD12 1
   ATOM 151 HD13 B ILE A 5 ? 41.52426 17.23528 -3.74687 0.178 6.11507 H ? A ? 5 HD13 1
   ATOM 152 CB C ILE A 5 ? 43.72218 17.82108 -5.34634 0.289 4.33683 C ? A ? 5 CB 1
   ATOM 153 CG1 C ILE A 5 ? 42.30702 18.37823 -5.23177 0.289 4.51197 C ? A ? 5 CG1 1
   ATOM 154 CG2 C ILE A 5 ? 44.36865 17.51464 -4.01307 0.289 4.52715 C ? A ? 5 CG2 1
   ATOM 155 CD1 C ILE A 5 ? 41.27798 17.30697 -4.85279 0.289 5.65507 C ? A ? 5 CD1 1
   ATOM 156 HB C ILE A 5 ? 43.57891 17.00391 -5.84894 0.289 5.20420 H ? A ? 5 HB 1
   ATOM 157 HG12 C ILE A 5 ? 42.29230 19.06475 -4.54666 0.289 5.41436 H ? A ? 5 HG12 1
   ATOM 158 HG13 C ILE A 5 ? 42.04629 18.75645 -6.08609 0.289 5.41436 H ? A ? 5 HG13 1
   ATOM 159 HG21 C ILE A 5 ? 43.99345 16.69199 -3.66182 0.289 5.43257 H ? A ? 5 HG21 1
   ATOM 160 HG22 C ILE A 5 ? 45.32481 17.41374 -4.14148 0.289 5.43257 H ? A ? 5 HG22 1
   ATOM 161 HG23 C ILE A 5 ? 44.19249 18.24631 -3.40109 0.289 5.43257 H ? A ? 5 HG23 1
   ATOM 162 HD11 C ILE A 5 ? 40.40463 17.72171 -4.77440 0.289 6.78608 H ? A ? 5 HD11 1
   ATOM 163 HD12 C ILE A 5 ? 41.26045 16.62718 -5.54451 0.289 6.78608 H ? A ? 5 HD12 1
   ATOM 164 HD13 C ILE A 5 ? 41.53291 16.90999 -4.00526 0.289 6.78608 H ? A ? 5 HD13 1
   ATOM 165 N A VAL A 6 ? 44.52631 20.99472 -5.18252 0.680 4.20878 N ? A ? 6 N 1
   ATOM 166 CA A VAL A 6 ? 44.81453 22.07081 -4.24162 0.680 4.17059 C ? A ? 6 CA 1
   ATOM 167 C A VAL A 6 ? 43.85228 21.98160 -3.03329 0.680 4.27519 C ? A ? 6 C 1
   ATOM 168 O A VAL A 6 ? 42.62654 21.87900 -3.19877 0.680 4.71505 O ? A ? 6 O 1
   ATOM 169 CB A VAL A 6 ? 44.65991 23.44575 -4.92360 0.680 4.09509 C ? A ? 6 CB 1
   ATOM 170 CG1 A VAL A 6 ? 44.87570 24.55139 -3.96627 0.680 4.86269 C ? A ? 6 CG1 1
   ATOM 171 CG2 A VAL A 6 ? 45.66884 23.58258 -6.10762 0.680 4.75343 C ? A ? 6 CG2 1
   ATOM 172 H A VAL A 6 ? 43.85859 21.15990 -5.69872 0.680 5.05054 H ? A ? 6 H 1
   ATOM 173 HA A VAL A 6 ? 45.72220 21.95882 -3.91837 0.680 5.00471 H ? A ? 6 HA 1
   ATOM 174 HB A VAL A 6 ? 43.75345 23.50859 -5.26315 0.680 4.91411 H ? A ? 6 HB 1
   ATOM 175 HG11 A VAL A 6 ? 45.01216 25.37486 -4.46040 0.680 5.83522 H ? A ? 6 HG11 1
   ATOM 176 HG12 A VAL A 6 ? 44.09476 24.63292 -3.39673 0.680 5.83522 H ? A ? 6 HG12 1
   ATOM 177 HG13 A VAL A 6 ? 45.65849 24.35494 -3.42816 0.680 5.83522 H ? A ? 6 HG13 1
   ATOM 178 HG21 A VAL A 6 ? 45.54603 24.44770 -6.52880 0.680 5.70412 H ? A ? 6 HG21 1
   ATOM 179 HG22 A VAL A 6 ? 46.57240 23.50782 -5.76282 0.680 5.70412 H ? A ? 6 HG22 1
   ATOM 180 HG23 A VAL A 6 ? 45.50019 22.87523 -6.74958 0.680 5.70412 H ? A ? 6 HG23 1
   ATOM 181 N B VAL A 6 ? 44.48421 20.98209 -5.13922 0.320 4.07354 N ? A ? 6 N 1
   ATOM 182 CA B VAL A 6 ? 44.84682 22.15148 -4.32723 0.320 3.70548 C ? A ? 6 CA 1
   ATOM 183 C B VAL A 6 ? 43.86426 22.22291 -3.15879 0.320 4.03533 C ? A ? 6 C 1
   ATOM 184 O B VAL A 6 ? 42.64173 22.24590 -3.36564 0.320 3.21024 O ? A ? 6 O 1
   ATOM 185 CB B VAL A 6 ? 44.81896 23.51398 -5.05486 0.320 4.26480 C ? A ? 6 CB 1
   ATOM 186 CG1 B VAL A 6 ? 45.22484 24.65025 -4.01651 0.320 5.30010 C ? A ? 6 CG1 1
   ATOM 187 CG2 B VAL A 6 ? 45.70620 23.45851 -6.27057 0.320 4.80297 C ? A ? 6 CG2 1
   ATOM 188 H B VAL A 6 ? 43.73774 21.08195 -5.55443 0.320 4.88825 H ? A ? 6 H 1
   ATOM 189 HA B VAL A 6 ? 45.76073 21.99902 -4.04012 0.320 4.44658 H ? A ? 6 HA 1
   ATOM 190 HB B VAL A 6 ? 43.93237 23.73093 -5.38317 0.320 5.11776 H ? A ? 6 HB 1
   ATOM 191 HG11 B VAL A 6 ? 45.37652 25.47852 -4.49803 0.320 6.36012 H ? A ? 6 HG11 1
   ATOM 192 HG12 B VAL A 6 ? 44.50423 24.76626 -3.37763 0.320 6.36012 H ? A ? 6 HG12 1
   ATOM 193 HG13 B VAL A 6 ? 46.03533 24.38224 -3.55589 0.320 6.36012 H ? A ? 6 HG13 1
   ATOM 194 HG21 B VAL A 6 ? 45.74324 24.33942 -6.67496 0.320 5.76356 H ? A ? 6 HG21 1
   ATOM 195 HG22 B VAL A 6 ? 46.59546 23.18103 -6.00015 0.320 5.76356 H ? A ? 6 HG22 1
   ATOM 196 HG23 B VAL A 6 ? 45.33803 22.82019 -6.90137 0.320 5.76356 H ? A ? 6 HG23 1
   ATOM 197 N A ASP A 7 ? 44.40230 22.08085 -1.82676 0.680 4.29969 N ? A ? 7 N 1
   ATOM 198 CA A ASP A 7 ? 43.61775 22.34576 -0.60829 0.680 4.71842 C ? A ? 7 CA 1
   ATOM 199 C A ASP A 7 ? 43.34238 23.84603 -0.56060 0.680 4.65810 C ? A ? 7 C 1
   ATOM 200 O A ASP A 7 ? 44.18711 24.64311 -0.16609 0.680 5.62266 O ? A ? 7 O 1
   ATOM 201 CB A ASP A 7 ? 44.37765 21.91491 0.62363 0.680 4.79189 C ? A ? 7 CB 1
   ATOM 202 CG A ASP A 7 ? 43.58405 22.04656 1.88150 0.680 5.91658 C ? A ? 7 CG 1
   ATOM 203 OD1 A ASP A 7 ? 42.44760 22.63279 1.81928 0.680 7.27385 O ? A ? 7 OD1 1
   ATOM 204 OD2 A ASP A 7 ? 44.09977 21.52912 2.92245 0.680 6.56213 O ? A ? 7 OD2 1
   ATOM 205 H A ASP A 7 ? 45.24516 21.99792 -1.67738 0.680 5.15963 H ? A ? 7 H 1
   ATOM 206 HA A ASP A 7 ? 42.78216 21.85451 -0.64504 0.680 5.66210 H ? A ? 7 HA 1
   ATOM 207 HB2 A ASP A 7 ? 44.63053 20.98344 0.52709 0.680 5.75026 H ? A ? 7 HB2 1
   ATOM 208 HB3 A ASP A 7 ? 45.17061 22.46644 0.71261 0.680 5.75026 H ? A ? 7 HB3 1
   ATOM 209 N B ASP A 7 ? 44.39264 22.31234 -1.94611 0.320 3.93445 N ? A ? 7 N 1
   ATOM 210 CA B ASP A 7 ? 43.58801 22.60647 -0.74326 0.320 3.86862 C ? A ? 7 CA 1
   ATOM 211 C B ASP A 7 ? 43.27789 24.09040 -0.75930 0.320 4.04066 C ? A ? 7 C 1
   ATOM 212 O B ASP A 7 ? 44.11732 24.91957 -0.39555 0.320 4.12031 O ? A ? 7 O 1
   ATOM 213 CB B ASP A 7 ? 44.35373 22.16796 0.49912 0.320 4.80583 C ? A ? 7 CB 1
   ATOM 214 CG B ASP A 7 ? 43.54516 22.25539 1.79268 0.320 6.32204 C ? A ? 7 CG 1
   ATOM 215 OD1 B ASP A 7 ? 42.60959 23.04697 1.83911 0.320 4.97296 O ? A ? 7 OD1 1
   ATOM 216 OD2 B ASP A 7 ? 43.81560 21.56111 2.79311 0.320 6.02514 O ? A ? 7 OD2 1
   ATOM 217 H B ASP A 7 ? 45.22967 22.20647 -1.77943 0.320 4.72134 H ? A ? 7 H 1
   ATOM 218 HA B ASP A 7 ? 42.74655 22.12393 -0.74610 0.320 4.64234 H ? A ? 7 HA 1
   ATOM 219 HB2 B ASP A 7 ? 44.62832 21.24461 0.38548 0.320 5.76700 H ? A ? 7 HB2 1
   ATOM 220 HB3 B ASP A 7 ? 45.13352 22.73590 0.60048 0.320 5.76700 H ? A ? 7 HB3 1
   ATOM 221 N A LYS A 8 ? 42.16205 24.24874 -1.02317 0.680 5.48583 N ? A ? 8 N 1
   ATOM 222 CA A LYS A 8 ? 41.79635 25.65287 -1.13593 0.680 6.42881 C ? A ? 8 CA 1
   ATOM 223 C A LYS A 8 ? 41.71947 26.33496 0.22060 0.680 7.61998 C ? A ? 8 C 1
   ATOM 224 O A LYS A 8 ? 41.78837 27.58570 0.26550 0.680 10.32066 O ? A ? 8 O 1
   ATOM 225 CB A LYS A 8 ? 40.49301 25.85425 -1.95142 0.680 8.01460 C ? A ? 8 CB 1
   ATOM 226 CG A LYS A 8 ? 40.63211 25.43619 -3.44016 0.680 8.54775 C ? A ? 8 CG 1
   ATOM 227 CD A LYS A 8 ? 39.37944 25.70995 -4.22740 0.680 12.09888 C ? A ? 8 CD 1
   ATOM 228 CE A LYS A 8 ? 39.56159 25.61428 -5.68668 0.680 15.70068 C ? A ? 8 CE 1
   ATOM 229 NZ A LYS A 8 ? 38.29817 25.43007 -6.49286 0.680 21.68079 N ? A ? 8 NZ 1
   ATOM 230 H A LYS A 8 ? 41.54064 23.71475 -1.28451 0.680 6.58300 H ? A ? 8 H 1
   ATOM 231 HA A LYS A 8 ? 42.48711 26.10050 -1.64914 0.680 7.71458 H ? A ? 8 HA 1
   ATOM 232 HB2 A LYS A 8 ? 39.78874 25.31764 -1.55525 0.680 9.61752 H ? A ? 8 HB2 1
   ATOM 233 HB3 A LYS A 8 ? 40.24893 26.79271 -1.92647 0.680 9.61752 H ? A ? 8 HB3 1
   ATOM 234 HG2 A LYS A 8 ? 41.35822 25.93603 -3.84490 0.680 10.25730 H ? A ? 8 HG2 1
   ATOM 235 HG3 A LYS A 8 ? 40.81688 24.48516 -3.48806 0.680 10.25730 H ? A ? 8 HG3 1
   ATOM 236 HD2 A LYS A 8 ? 38.70219 25.06436 -3.97158 0.680 14.51866 H ? A ? 8 HD2 1
   ATOM 237 HD3 A LYS A 8 ? 39.07407 26.60842 -4.02638 0.680 14.51866 H ? A ? 8 HD3 1
   ATOM 238 HE2 A LYS A 8 ? 39.98292 26.43151 -5.99574 0.680 18.84082 H ? A ? 8 HE2 1
   ATOM 239 HE3 A LYS A 8 ? 40.13480 24.85437 -5.87339 0.680 18.84082 H ? A ? 8 HE3 1
   ATOM 240 HZ1 A LYS A 8 ? 38.02795 24.58337 -6.44605 0.680 26.01695 H ? A ? 8 HZ1 1
   ATOM 241 HZ2 A LYS A 8 ? 37.65481 25.95657 -6.17507 0.680 26.01695 H ? A ? 8 HZ2 1
   ATOM 242 HZ3 A LYS A 8 ? 38.44767 25.63885 -7.34501 0.680 26.01695 H ? A ? 8 HZ3 1
   ATOM 243 N B LYS A 8 ? 42.09757 24.42787 -1.27647 0.320 3.88453 N ? A ? 8 N 1
   ATOM 244 CA B LYS A 8 ? 41.74146 25.81576 -1.38547 0.320 6.31447 C ? A ? 8 CA 1
   ATOM 245 C B LYS A 8 ? 41.54987 26.44696 -0.02484 0.320 7.55021 C ? A ? 8 C 1
   ATOM 246 O B LYS A 8 ? 41.43367 27.65201 0.08260 0.320 8.80359 O ? A ? 8 O 1
   ATOM 247 CB B LYS A 8 ? 40.47705 25.91516 -2.19542 0.320 7.65023 C ? A ? 8 CB 1
   ATOM 248 CG B LYS A 8 ? 40.58051 25.34309 -3.60038 0.320 8.20796 C ? A ? 8 CG 1
   ATOM 249 CD B LYS A 8 ? 39.20217 25.45320 -4.28032 0.320 10.12896 C ? A ? 8 CD 1
   ATOM 250 CE B LYS A 8 ? 39.15570 24.92532 -5.69682 0.320 6.69861 C ? A ? 8 CE 1
   ATOM 251 NZ B LYS A 8 ? 37.75324 24.74180 -6.24388 0.320 11.85246 N ? A ? 8 NZ 1
   ATOM 252 H B LYS A 8 ? 41.50512 23.87399 -1.56251 0.320 4.66144 H ? A ? 8 H 1
   ATOM 253 HA B LYS A 8 ? 42.43507 26.31532 -1.84401 0.320 7.57736 H ? A ? 8 HA 1
   ATOM 254 HB2 B LYS A 8 ? 39.77528 25.43081 -1.73301 0.320 9.18027 H ? A ? 8 HB2 1
   ATOM 255 HB3 B LYS A 8 ? 40.23566 26.85106 -2.27740 0.320 9.18027 H ? A ? 8 HB3 1
   ATOM 256 HG2 B LYS A 8 ? 41.22949 25.84616 -4.11677 0.320 9.84955 H ? A ? 8 HG2 1
   ATOM 257 HG3 B LYS A 8 ? 40.84025 24.40937 -3.56040 0.320 9.84955 H ? A ? 8 HG3 1
   ATOM 258 HD2 B LYS A 8 ? 38.55878 24.94772 -3.75933 0.320 12.15475 H ? A ? 8 HD2 1
   ATOM 259 HD3 B LYS A 8 ? 38.94487 26.38802 -4.30876 0.320 12.15475 H ? A ? 8 HD3 1
   ATOM 260 HE2 B LYS A 8 ? 39.61809 25.55019 -6.27701 0.320 8.03833 H ? A ? 8 HE2 1
   ATOM 261 HE3 B LYS A 8 ? 39.59621 24.06146 -5.72149 0.320 8.03833 H ? A ? 8 HE3 1
   ATOM 262 HZ1 B LYS A 8 ? 37.72213 24.02207 -6.76649 0.320 14.22295 H ? A ? 8 HZ1 1
   ATOM 263 HZ2 B LYS A 8 ? 37.17647 24.63757 -5.57412 0.320 14.22295 H ? A ? 8 HZ2 1
   ATOM 264 HZ3 B LYS A 8 ? 37.51663 25.45524 -6.72044 0.320 14.22295 H ? A ? 8 HZ3 1
   ATOM 265 N A GLU A 9 ? 41.55891 25.55714 1.31037 0.680 6.84421 N ? A ? 9 N 1
   ATOM 266 CA A GLU A 9 ? 41.42424 26.09588 2.64401 0.680 7.37516 C ? A ? 9 CA 1
   ATOM 267 C A GLU A 9 ? 42.75726 26.59680 3.18396 0.680 7.33981 C ? A ? 9 C 1
   ATOM 268 O A GLU A 9 ? 42.74770 27.32524 4.17390 0.680 9.28911 O ? A ? 9 O 1
   ATOM 269 CB A GLU A 9 ? 40.86487 25.08161 3.62919 0.680 8.26922 C ? A ? 9 CB 1
   ATOM 270 CG A GLU A 9 ? 39.47655 24.62285 3.32779 0.680 14.67328 C ? A ? 9 CG 1
   ATOM 271 CD A GLU A 9 ? 38.44875 25.67821 3.47452 0.680 20.47308 C ? A ? 9 CD 1
   ATOM 272 OE1 A GLU A 9 ? 38.61541 26.55114 4.35015 0.680 22.46075 O ? A ? 9 OE1 1
   ATOM 273 OE2 A GLU A 9 ? 37.49090 25.59804 2.68754 0.680 25.17241 O ? A ? 9 OE2 1
   ATOM 274 H A GLU A 9 ? 41.52604 24.69809 1.28691 0.680 8.21305 H ? A ? 9 H 1
   ATOM 275 HA A GLU A 9 ? 40.78598 26.82428 2.58953 0.680 8.85019 H ? A ? 9 HA 1
   ATOM 276 HB2 A GLU A 9 ? 41.43861 24.29949 3.62592 0.680 9.92306 H ? A ? 9 HB2 1
   ATOM 277 HB3 A GLU A 9 ? 40.85528 25.48233 4.51249 0.680 9.92306 H ? A ? 9 HB3 1
   ATOM 278 HG2 A GLU A 9 ? 39.44525 24.30640 2.41140 0.680 17.60794 H ? A ? 9 HG2 1
   ATOM 279 HG3 A GLU A 9 ? 39.24790 23.90229 3.93559 0.680 17.60794 H ? A ? 9 HG3 1
   ATOM 280 N B GLU A 9 ? 41.44318 25.70599 1.03161 0.320 5.87134 N ? A ? 9 N 1
   ATOM 281 CA B GLU A 9 ? 41.33552 26.36494 2.33827 0.320 7.22014 C ? A ? 9 CA 1
   ATOM 282 C B GLU A 9 ? 42.67731 26.94439 2.84659 0.320 4.50660 C ? A ? 9 C 1
   ATOM 283 O B GLU A 9 ? 42.69080 27.88273 3.67330 0.320 5.53437 O ? A ? 9 O 1
   ATOM 284 CB B GLU A 9 ? 40.76995 25.38615 3.38994 0.320 8.16358 C ? A ? 9 CB 1
   ATOM 285 CG B GLU A 9 ? 39.36458 24.90279 3.11450 0.320 11.95549 C ? A ? 9 CG 1
   ATOM 286 CD B GLU A 9 ? 38.42525 26.06614 2.90866 0.320 15.65286 C ? A ? 9 CD 1
   ATOM 287 OE1 B GLU A 9 ? 38.43992 27.01105 3.72342 0.320 15.14797 O ? A ? 9 OE1 1
   ATOM 288 OE2 B GLU A 9 ? 37.68978 26.06394 1.90877 0.320 19.03096 O ? A ? 9 OE2 1
   ATOM 289 H B GLU A 9 ? 41.42894 24.84618 1.04251 0.320 7.04561 H ? A ? 9 H 1
   ATOM 290 HA B GLU A 9 ? 40.71668 27.10507 2.23761 0.320 8.66417 H ? A ? 9 HA 1
   ATOM 291 HB2 B GLU A 9 ? 41.34521 24.60593 3.42505 0.320 9.79630 H ? A ? 9 HB2 1
   ATOM 292 HB3 B GLU A 9 ? 40.76172 25.83132 4.25172 0.320 9.79630 H ? A ? 9 HB3 1
   ATOM 293 HG2 B GLU A 9 ? 39.36150 24.35898 2.31128 0.320 14.34659 H ? A ? 9 HG2 1
   ATOM 294 HG3 B GLU A 9 ? 39.04834 24.38176 3.86910 0.320 14.34659 H ? A ? 9 HG3 1
   ATOM 295 N A THR A 10 ? 43.89648 26.22115 2.58210 0.680 6.49950 N ? A ? 10 N 1
   ATOM 296 CA A THR A 10 ? 45.18134 26.79139 2.97847 0.680 6.83084 C ? A ? 10 CA 1
   ATOM 297 C A THR A 10 ? 45.90004 27.62818 1.91175 0.680 6.01529 C ? A ? 10 C 1
   ATOM 298 O A THR A 10 ? 46.86910 28.32776 2.23907 0.680 6.15044 O ? A ? 10 O 1
   ATOM 299 CB A THR A 10 ? 46.11945 25.67356 3.48635 0.680 5.76070 C ? A ? 10 CB 1
   ATOM 300 OG1 A THR A 10 ? 46.34360 24.81330 2.37840 0.680 6.16687 O ? A ? 10 OG1 1
   ATOM 301 CG2 A THR A 10 ? 45.52821 24.85013 4.66060 0.680 7.55597 C ? A ? 10 CG2 1
   ATOM 302 H A THR A 10 ? 43.94437 25.64239 1.94780 0.680 7.79941 H ? A ? 10 H 1
   ATOM 303 HA A THR A 10 ? 45.01029 27.40442 3.71048 0.680 8.19700 H ? A ? 10 HA 1
   ATOM 304 HB A THR A 10 ? 46.93609 26.06452 3.83441 0.680 6.91284 H ? A ? 10 HB 1
   ATOM 305 HG1 A THR A 10 ? 45.61402 24.49625 2.10862 0.680 7.40024 H ? A ? 10 HG1 1
   ATOM 306 HG21 A THR A 10 ? 46.16003 24.16894 4.93933 0.680 9.06717 H ? A ? 10 HG21 1
   ATOM 307 HG22 A THR A 10 ? 45.34105 25.43275 5.41321 0.680 9.06717 H ? A ? 10 HG22 1
   ATOM 308 HG23 A THR A 10 ? 44.70422 24.42038 4.38265 0.680 9.06717 H ? A ? 10 HG23 1
   ATOM 309 N B THR A 10 ? 43.80247 26.30670 2.48722 0.320 6.35958 N ? A ? 10 N 1
   ATOM 310 CA B THR A 10 ? 45.10808 26.65657 3.05598 0.320 7.00643 C ? A ? 10 CA 1
   ATOM 311 C B THR A 10 ? 45.94307 27.43850 2.07086 0.320 4.91455 C ? A ? 10 C 1
   ATOM 312 O B THR A 10 ? 47.02186 27.91347 2.41598 0.320 5.32241 O ? A ? 10 O 1
   ATOM 313 CB B THR A 10 ? 45.91371 25.44389 3.54047 0.320 5.16889 C ? A ? 10 CB 1
   ATOM 314 OG1 B THR A 10 ? 46.25037 24.62859 2.42507 0.320 6.08606 O ? A ? 10 OG1 1
   ATOM 315 CG2 B THR A 10 ? 45.07448 24.72254 4.53839 0.320 6.03287 C ? A ? 10 CG2 1
   ATOM 316 H B THR A 10 ? 43.83196 25.66645 1.91381 0.320 7.63150 H ? A ? 10 H 1
   ATOM 317 HA B THR A 10 ? 44.93844 27.18239 3.85326 0.320 8.40771 H ? A ? 10 HA 1
   ATOM 318 HB B THR A 10 ? 46.74978 25.69205 3.96508 0.320 6.20267 H ? A ? 10 HB 1
   ATOM 319 HG1 B THR A 10 ? 45.55363 24.40163 2.01440 0.320 7.30327 H ? A ? 10 HG1 1
   ATOM 320 HG21 B THR A 10 ? 45.59826 24.03337 4.97610 0.320 7.23944 H ? A ? 10 HG21 1
   ATOM 321 HG22 B THR A 10 ? 44.74851 25.34348 5.20851 0.320 7.23944 H ? A ? 10 HG22 1
   ATOM 322 HG23 B THR A 10 ? 44.31613 24.30896 4.09706 0.320 7.23944 H ? A ? 10 HG23 1
   ATOM 323 N A CYS A 11 ? 45.47820 27.56968 0.64334 0.680 5.38202 N ? A ? 11 N 1
   ATOM 324 CA A CYS A 11 ? 46.17634 28.36169 -0.38847 0.680 4.94270 C ? A ? 11 CA 1
   ATOM 325 C A CYS A 11 ? 46.19469 29.79031 0.10251 0.680 5.95953 C ? A ? 11 C 1
   ATOM 326 O A CYS A 11 ? 45.19600 30.29862 0.62869 0.680 6.48138 O ? A ? 11 O 1
   ATOM 327 CB A CYS A 11 ? 45.42663 28.22506 -1.73880 0.680 5.06029 C ? A ? 11 CB 1
   ATOM 328 SG A CYS A 11 ? 46.07982 29.17420 -3.11959 0.680 4.59803 S ? A ? 11 SG 1
   ATOM 329 H A CYS A 11 ? 44.81639 27.09883 0.36068 0.680 6.45843 H ? A ? 11 H 1
   ATOM 330 HA A CYS A 11 ? 47.08396 28.05933 -0.54878 0.680 5.93123 H ? A ? 11 HA 1
   ATOM 331 HB2 A CYS A 11 ? 45.44650 27.29135 -2.00088 0.680 6.07235 H ? A ? 11 HB2 1
   ATOM 332 HB3 A CYS A 11 ? 44.50999 28.51251 -1.60449 0.680 6.07235 H ? A ? 11 HB3 1
   ATOM 333 N B CYS A 11 ? 45.45494 27.59473 0.84655 0.320 6.46103 N ? A ? 11 N 1
   ATOM 334 CA B CYS A 11 ? 46.16612 28.33355 -0.20259 0.320 5.14749 C ? A ? 11 CA 1
   ATOM 335 C B CYS A 11 ? 46.13908 29.86908 -0.07088 0.320 5.43980 C ? A ? 11 C 1
   ATOM 336 O B CYS A 11 ? 45.09679 30.50582 0.16315 0.320 3.47563 O ? A ? 11 O 1
   ATOM 337 CB B CYS A 11 ? 45.50483 27.96186 -1.52385 0.320 4.13886 C ? A ? 11 CB 1
   ATOM 338 SG B CYS A 11 ? 46.00460 29.00630 -2.88586 0.320 4.34425 S ? A ? 11 SG 1
   ATOM 339 H B CYS A 11 ? 44.69853 27.27798 0.58748 0.320 7.75323 H ? A ? 11 H 1
   ATOM 340 HA B CYS A 11 ? 47.10415 28.09369 -0.14378 0.320 6.17699 H ? A ? 11 HA 1
   ATOM 341 HB2 B CYS A 11 ? 45.74207 27.04808 -1.74662 0.320 4.96663 H ? A ? 11 HB2 1
   ATOM 342 HB3 B CYS A 11 ? 44.54302 28.04039 -1.42565 0.320 4.96663 H ? A ? 11 HB3 1
   ATOM 343 N . ILE A 12 ? 47.32657 30.45540 -0.13331 1.000 5.43152 N ? A ? 12 N 1
   ATOM 344 CA . ILE A 12 ? 47.52871 31.87503 0.15143 1.000 5.90785 C ? A ? 12 CA 1
   ATOM 345 C . ILE A 12 ? 47.62325 32.73178 -1.13103 1.000 6.32719 C ? A ? 12 C 1
   ATOM 346 O . ILE A 12 ? 47.97517 33.92737 -1.03756 1.000 6.96539 O ? A ? 12 O 1
   ATOM 347 HA . ILE A 12 ? 46.74283 32.13437 0.65743 1.000 7.08942 H ? A ? 12 HA 1
   ATOM 348 CB A ILE A 12 ? 48.65154 32.10355 1.21475 0.459 6.27223 C ? A ? 12 CB 1
   ATOM 349 CG1 A ILE A 12 ? 49.99920 31.48823 0.76754 0.459 5.44194 C ? A ? 12 CG1 1
   ATOM 350 CG2 A ILE A 12 ? 48.19675 31.61187 2.54714 0.459 5.75474 C ? A ? 12 CG2 1
   ATOM 351 CD1 A ILE A 12 ? 51.20785 31.90198 1.55796 0.459 4.78382 C ? A ? 12 CD1 1
   ATOM 352 H A ILE A 12 ? 48.02574 30.08872 -0.47433 0.680 6.51783 H ? A ? 12 H 1
   ATOM 353 HB A ILE A 12 ? 48.81624 33.05614 1.29435 0.459 7.52667 H ? A ? 12 HB 1
   ATOM 354 HG12 A ILE A 12 ? 49.92914 30.52317 0.83585 0.459 6.53033 H ? A ? 12 HG12 1
   ATOM 355 HG13 A ILE A 12 ? 50.15841 31.74488 -0.15424 0.459 6.53033 H ? A ? 12 HG13 1
   ATOM 356 HG21 A ILE A 12 ? 48.90285 31.75873 3.19580 0.459 6.90569 H ? A ? 12 HG21 1
   ATOM 357 HG22 A ILE A 12 ? 47.40040 32.09994 2.80888 0.459 6.90569 H ? A ? 12 HG22 1
   ATOM 358 HG23 A ILE A 12 ? 47.99808 30.66459 2.48322 0.459 6.90569 H ? A ? 12 HG23 1
   ATOM 359 HD11 A ILE A 12 ? 51.99686 31.49987 1.16216 0.459 5.74058 H ? A ? 12 HD11 1
   ATOM 360 HD12 A ILE A 12 ? 51.28328 32.86881 1.53673 0.459 5.74058 H ? A ? 12 HD12 1
   ATOM 361 HD13 A ILE A 12 ? 51.10564 31.59819 2.47348 0.459 5.74058 H ? A ? 12 HD13 1
   ATOM 362 CB B ILE A 12 ? 48.76870 32.16568 1.01321 0.541 6.27427 C ? A ? 12 CB 1
   ATOM 363 CG1 B ILE A 12 ? 50.02836 31.59583 0.38316 0.541 5.73074 C ? A ? 12 CG1 1
   ATOM 364 CG2 B ILE A 12 ? 48.53817 31.60670 2.49024 0.541 6.86792 C ? A ? 12 CG2 1
   ATOM 365 CD1 B ILE A 12 ? 51.26974 32.12470 1.03204 0.541 5.35719 C ? A ? 12 CD1 1
   ATOM 366 H B ILE A 12 ? 48.05194 30.04407 -0.34364 0.320 6.51783 H ? A ? 12 H 1
   ATOM 367 HB B ILE A 12 ? 48.89472 33.12618 1.06275 0.541 7.52913 H ? A ? 12 HB 1
   ATOM 368 HG12 B ILE A 12 ? 50.02372 30.63057 0.47882 0.541 6.87689 H ? A ? 12 HG12 1
   ATOM 369 HG13 B ILE A 12 ? 50.05127 31.83600 -0.55636 0.541 6.87689 H ? A ? 12 HG13 1
   ATOM 370 HG21 B ILE A 12 ? 49.31161 31.82320 3.03413 0.541 8.24151 H ? A ? 12 HG21 1
   ATOM 371 HG22 B ILE A 12 ? 47.74454 32.02047 2.86420 0.541 8.24151 H ? A ? 12 HG22 1
   ATOM 372 HG23 B ILE A 12 ? 48.42151 30.64462 2.44918 0.541 8.24151 H ? A ? 12 HG23 1
   ATOM 373 HD11 B ILE A 12 ? 52.04260 31.81609 0.53370 0.541 6.42862 H ? A ? 12 HD11 1
   ATOM 374 HD12 B ILE A 12 ? 51.23944 33.09422 1.02849 0.541 6.42862 H ? A ? 12 HD12 1
   ATOM 375 HD13 B ILE A 12 ? 51.31267 31.79844 1.94452 0.541 6.42862 H ? A ? 12 HD13 1
   ATOM 376 N B ALA A 13 ? 47.31529 32.20189 -2.33719 0.310 5.82240 N ? A ? 13 N 1
   ATOM 377 CA B ALA A 13 ? 47.18496 33.02362 -3.58387 0.310 7.07521 C ? A ? 13 CA 1
   ATOM 378 C B ALA A 13 ? 48.50123 33.68811 -3.97954 0.310 5.63899 C ? A ? 13 C 1
   ATOM 379 O B ALA A 13 ? 48.54446 34.81302 -4.53914 0.310 6.27919 O ? A ? 13 O 1
   ATOM 380 CB B ALA A 13 ? 46.03822 34.02597 -3.51456 0.310 7.36677 C ? A ? 13 CB 1
   ATOM 381 H B ALA A 13 ? 47.17471 31.36361 -2.46803 0.310 6.98687 H ? A ? 13 H 1
   ATOM 382 HA B ALA A 13 ? 46.96331 32.40917 -4.30096 0.310 8.49025 H ? A ? 13 HA 1
   ATOM 383 HB1 B ALA A 13 ? 46.00496 34.52571 -4.34525 0.310 8.84013 H ? A ? 13 HB1 1
   ATOM 384 HB2 B ALA A 13 ? 45.20593 33.54512 -3.38426 0.310 8.84013 H ? A ? 13 HB2 1
   ATOM 385 HB3 B ALA A 13 ? 46.19119 34.62992 -2.77109 0.310 8.84013 H ? A ? 13 HB3 1
   ATOM 386 N C ALA A 13 ? 47.19365 32.14254 -2.21783 0.405 5.57660 N ? A ? 13 N 1
   ATOM 387 CA C ALA A 13 ? 46.92567 32.91676 -3.42187 0.405 5.70476 C ? A ? 13 CA 1
   ATOM 388 C C ALA A 13 ? 48.17041 33.70586 -3.83284 0.405 5.46158 C ? A ? 13 C 1
   ATOM 389 O C ALA A 13 ? 48.14553 34.93657 -3.98354 0.405 6.09960 O ? A ? 13 O 1
   ATOM 390 CB C ALA A 13 ? 45.71628 33.83571 -3.25134 0.405 6.32173 C ? A ? 13 CB 1
   ATOM 391 H C ALA A 13 ? 47.04730 31.29830 -2.29153 0.404 6.69192 H ? A ? 13 H 1
   ATOM 392 HA C ALA A 13 ? 46.71084 32.29646 -4.13599 0.404 6.84572 H ? A ? 13 HA 1
   ATOM 393 HB1 C ALA A 13 ? 45.57586 34.32896 -4.07468 0.404 7.58608 H ? A ? 13 HB1 1
   ATOM 394 HB2 C ALA A 13 ? 44.93532 33.29614 -3.05169 0.404 7.58608 H ? A ? 13 HB2 1
   ATOM 395 HB3 C ALA A 13 ? 45.88804 34.45165 -2.52194 0.404 7.58608 H ? A ? 13 HB3 1
   ATOM 396 N D ALA A 13 ? 47.37216 32.19839 -2.33900 0.285 5.76021 N ? A ? 13 N 1
   ATOM 397 CA D ALA A 13 ? 47.24718 32.99632 -3.57940 0.285 7.24005 C ? A ? 13 CA 1
   ATOM 398 C D ALA A 13 ? 48.55414 33.73683 -3.90256 0.285 5.48533 C ? A ? 13 C 1
   ATOM 399 O D ALA A 13 ? 48.59203 34.96377 -4.04967 0.285 5.60415 O ? A ? 13 O 1
   ATOM 400 CB D ALA A 13 ? 46.03780 33.94611 -3.52377 0.285 7.27960 C ? A ? 13 CB 1
   ATOM 401 H D ALA A 13 ? 47.26711 31.35522 -2.47181 0.285 6.91226 H ? A ? 13 H 1
   ATOM 402 HA D ALA A 13 ? 47.08788 32.38133 -4.31242 0.285 8.68806 H ? A ? 13 HA 1
   ATOM 403 HB1 D ALA A 13 ? 45.99494 34.45160 -4.35054 0.285 8.73552 H ? A ? 13 HB1 1
   ATOM 404 HB2 D ALA A 13 ? 45.22915 33.42167 -3.41442 0.285 8.73552 H ? A ? 13 HB2 1
   ATOM 405 HB3 D ALA A 13 ? 46.14469 34.54983 -2.77211 0.285 8.73552 H ? A ? 13 HB3 1
   ATOM 406 N B CYS A 14 ? 49.57252 32.92113 -3.70942 0.310 5.46527 N ? A ? 14 N 1
   ATOM 407 CA B CYS A 14 ? 50.92285 33.38122 -3.96736 0.310 3.92016 C ? A ? 14 CA 1
   ATOM 408 C B CYS A 14 ? 51.27527 33.46158 -5.45625 0.310 5.85105 C ? A ? 14 C 1
   ATOM 409 O B CYS A 14 ? 52.34238 34.01585 -5.76716 0.310 6.55648 O ? A ? 14 O 1
   ATOM 410 CB B CYS A 14 ? 51.98105 32.59692 -3.17749 0.310 5.52124 C ? A ? 14 CB 1
   ATOM 411 SG B CYS A 14 ? 52.46543 31.00211 -3.89492 0.310 4.48509 S ? A ? 14 SG 1
   ATOM 412 H B CYS A 14 ? 49.53109 32.12969 -3.37550 0.310 6.55833 H ? A ? 14 H 1
   ATOM 413 HA B CYS A 14 ? 50.97728 34.28503 -3.61941 0.310 4.70419 H ? A ? 14 HA 1
   ATOM 414 HB2 B CYS A 14 ? 52.78154 33.14128 -3.11596 0.310 6.62549 H ? A ? 14 HB2 1
   ATOM 415 HB3 B CYS A 14 ? 51.63091 32.42037 -2.29028 0.310 6.62549 H ? A ? 14 HB3 1
   ATOM 416 N C CYS A 14 ? 49.28024 32.96521 -4.06415 0.405 5.15582 N ? A ? 14 N 1
   ATOM 417 CA C CYS A 14 ? 50.59645 33.56851 -4.30794 0.405 6.15831 C ? A ? 14 CA 1
   ATOM 418 C C CYS A 14 ? 51.18595 33.51357 -5.73006 0.405 6.12013 C ? A ? 14 C 1
   ATOM 419 O C CYS A 14 ? 52.18417 34.18942 -5.99520 0.405 7.54637 O ? A ? 14 O 1
   ATOM 420 CB C CYS A 14 ? 51.63056 32.89303 -3.40904 0.405 4.88048 C ? A ? 14 CB 1
   ATOM 421 SG C CYS A 14 ? 52.20502 31.20745 -3.96917 0.405 4.84192 S ? A ? 14 SG 1
   ATOM 422 H C CYS A 14 ? 49.28773 32.10546 -4.08332 0.404 6.18699 H ? A ? 14 H 1
   ATOM 423 HA C CYS A 14 ? 50.47070 34.50927 -4.10779 0.404 7.38998 H ? A ? 14 HA 1
   ATOM 424 HB2 C CYS A 14 ? 52.41333 33.46400 -3.36251 0.404 5.85658 H ? A ? 14 HB2 1
   ATOM 425 HB3 C CYS A 14 ? 51.24399 32.78740 -2.52570 0.404 5.85658 H ? A ? 14 HB3 1
   ATOM 426 N D CYS A 14 ? 49.64446 32.96135 -4.01177 0.285 5.99169 N ? A ? 14 N 1
   ATOM 427 CA D CYS A 14 ? 50.98387 33.51034 -4.26568 0.285 5.09436 C ? A ? 14 CA 1
   ATOM 428 C D CYS A 14 ? 51.40188 33.45883 -5.74308 0.285 5.79376 C ? A ? 14 C 1
   ATOM 429 O D CYS A 14 ? 52.50273 33.94349 -6.09515 0.285 6.31867 O ? A ? 14 O 1
   ATOM 430 CB D CYS A 14 ? 52.01231 32.74865 -3.43335 0.285 5.94175 C ? A ? 14 CB 1
   ATOM 431 SG D CYS A 14 ? 52.42924 31.14550 -4.12346 0.285 5.12384 S ? A ? 14 SG 1
   ATOM 432 H D CYS A 14 ? 49.63241 32.10431 -3.94154 0.285 7.19003 H ? A ? 14 H 1
   ATOM 433 HA D CYS A 14 ? 50.99151 34.44200 -3.99580 0.285 6.11323 H ? A ? 14 HA 1
   ATOM 434 HB2 D CYS A 14 ? 52.82657 33.27338 -3.38301 0.285 7.13010 H ? A ? 14 HB2 1
   ATOM 435 HB3 D CYS A 14 ? 51.65344 32.60686 -2.54340 0.285 7.13010 H ? A ? 14 HB3 1
   ATOM 436 N B GLY A 15 ? 50.46000 32.88242 -6.36585 0.310 5.91334 N ? A ? 15 N 1
   ATOM 437 CA B GLY A 15 ? 50.77367 32.92289 -7.79118 0.310 7.45785 C ? A ? 15 CA 1
   ATOM 438 C B GLY A 15 ? 51.98023 32.13036 -8.24548 0.310 4.85649 C ? A ? 15 C 1
   ATOM 439 O B GLY A 15 ? 52.44298 32.34740 -9.38088 0.310 6.39636 O ? A ? 15 O 1
   ATOM 440 H B GLY A 15 ? 49.73108 32.46772 -6.17535 0.310 7.09601 H ? A ? 15 H 1
   ATOM 441 HA2 B GLY A 15 ? 50.00701 32.58510 -8.28007 0.310 8.94942 H ? A ? 15 HA2 1
   ATOM 442 HA3 B GLY A 15 ? 50.92583 33.84746 -8.04202 0.310 8.94942 H ? A ? 15 HA3 1
   ATOM 443 N C GLY A 15 ? 50.64250 32.72487 -6.63002 0.405 6.22233 N ? A ? 15 N 1
   ATOM 444 CA C GLY A 15 ? 51.08627 32.70236 -8.01897 0.405 6.85586 C ? A ? 15 CA 1
   ATOM 445 C C GLY A 15 ? 52.20682 31.71007 -8.39013 0.405 5.99639 C ? A ? 15 C 1
   ATOM 446 O C GLY A 15 ? 52.56402 31.64158 -9.57213 0.405 6.44239 O ? A ? 15 O 1
   ATOM 447 H C GLY A 15 ? 49.99972 32.17802 -6.46450 0.404 7.46680 H ? A ? 15 H 1
   ATOM 448 HA2 C GLY A 15 ? 50.32100 32.48879 -8.57543 0.404 8.22703 H ? A ? 15 HA2 1
   ATOM 449 HA3 C GLY A 15 ? 51.40473 33.58976 -8.24702 0.404 8.22703 H ? A ? 15 HA3 1
   ATOM 450 N D GLY A 15 ? 50.56456 32.85040 -6.59022 0.285 6.33888 N ? A ? 15 N 1
   ATOM 451 CA D GLY A 15 ? 50.84342 32.79493 -8.00203 0.285 6.46807 C ? A ? 15 CA 1
   ATOM 452 C D GLY A 15 ? 51.99672 31.90789 -8.38864 0.285 5.44245 C ? A ? 15 C 1
   ATOM 453 O D GLY A 15 ? 52.38268 31.94845 -9.55685 0.285 6.17242 O ? A ? 15 O 1
   ATOM 454 H D GLY A 15 ? 49.83094 32.46561 -6.35926 0.285 7.60665 H ? A ? 15 H 1
   ATOM 455 HA2 D GLY A 15 ? 50.05361 32.46925 -8.46141 0.285 7.76169 H ? A ? 15 HA2 1
   ATOM 456 HA3 D GLY A 15 ? 51.04304 33.69144 -8.31399 0.285 7.76169 H ? A ? 15 HA3 1
   ATOM 457 N B ALA A 16 ? 52.46079 31.16858 -7.46929 0.310 5.00404 N ? A ? 16 N 1
   ATOM 458 CA B ALA A 16 ? 53.68865 30.50835 -7.85004 0.310 4.80417 C ? A ? 16 CA 1
   ATOM 459 C B ALA A 16 ? 53.46749 29.19637 -8.59666 0.310 4.59040 C ? A ? 16 C 1
   ATOM 460 O B ALA A 16 ? 54.30846 28.80429 -9.41612 0.310 5.63925 O ? A ? 16 O 1
   ATOM 461 CB B ALA A 16 ? 54.54632 30.22077 -6.61250 0.310 5.86049 C ? A ? 16 CB 1
   ATOM 462 H B ALA A 16 ? 52.10041 30.89214 -6.73901 0.310 6.00485 H ? A ? 16 H 1
   ATOM 463 HA B ALA A 16 ? 54.18464 31.10545 -8.43174 0.310 5.76500 H ? A ? 16 HA 1
   ATOM 464 HB1 B ALA A 16 ? 55.36017 29.77167 -6.88973 0.310 7.03259 H ? A ? 16 HB1 1
   ATOM 465 HB2 B ALA A 16 ? 54.76348 31.05979 -6.17685 0.310 7.03259 H ? A ? 16 HB2 1
   ATOM 466 HB3 B ALA A 16 ? 54.04540 29.65313 -6.00607 0.310 7.03259 H ? A ? 16 HB3 1
   ATOM 467 N C ALA A 16 ? 52.84378 31.00181 -7.44978 0.405 5.07336 N ? A ? 16 N 1
   ATOM 468 CA C ALA A 16 ? 54.03274 30.21017 -7.77419 0.405 5.34948 C ? A ? 16 CA 1
   ATOM 469 C C ALA A 16 ? 53.69513 28.98498 -8.61148 0.405 4.72093 C ? A ? 16 C 1
   ATOM 470 O C ALA A 16 ? 54.48121 28.57207 -9.47780 0.405 5.17241 O ? A ? 16 O 1
   ATOM 471 CB C ALA A 16 ? 54.77153 29.75704 -6.51838 0.405 5.81117 C ? A ? 16 CB 1
   ATOM 472 H C ALA A 16 ? 52.60929 30.96348 -6.62326 0.404 6.08803 H ? A ? 16 H 1
   ATOM 473 HA C ALA A 16 ? 54.61874 30.79374 -8.28110 0.404 6.41938 H ? A ? 16 HA 1
   ATOM 474 HB1 C ALA A 16 ? 55.54342 29.23047 -6.77878 0.404 6.97341 H ? A ? 16 HB1 1
   ATOM 475 HB2 C ALA A 16 ? 55.05723 30.53901 -6.02059 0.404 6.97341 H ? A ? 16 HB2 1
   ATOM 476 HB3 C ALA A 16 ? 54.17265 29.22028 -5.97603 0.404 6.97341 H ? A ? 16 HB3 1
   ATOM 477 N D ALA A 16 ? 52.57345 31.11002 -7.48804 0.285 4.99252 N ? A ? 16 N 1
   ATOM 478 CA D ALA A 16 ? 53.78074 30.38707 -7.84489 0.285 5.18971 C ? A ? 16 CA 1
   ATOM 479 C D ALA A 16 ? 53.47719 29.15160 -8.69560 0.285 4.60213 C ? A ? 16 C 1
   ATOM 480 O D ALA A 16 ? 54.20025 28.86785 -9.64786 0.285 5.15487 O ? A ? 16 O 1
   ATOM 481 CB D ALA A 16 ? 54.57570 30.01218 -6.58864 0.285 5.75969 C ? A ? 16 CB 1
   ATOM 482 H D ALA A 16 ? 52.28945 30.97723 -6.68722 0.285 5.99103 H ? A ? 16 H 1
   ATOM 483 HA D ALA A 16 ? 54.34258 30.97307 -8.37578 0.285 6.22765 H ? A ? 16 HA 1
   ATOM 484 HB1 D ALA A 16 ? 55.37728 29.53422 -6.85310 0.285 6.91162 H ? A ? 16 HB1 1
   ATOM 485 HB2 D ALA A 16 ? 54.81569 30.82287 -6.11316 0.285 6.91162 H ? A ? 16 HB2 1
   ATOM 486 HB3 D ALA A 16 ? 54.02537 29.44779 -6.02340 0.285 6.91162 H ? A ? 16 HB3 1
   ATOM 487 N B CYS A 17 ? 52.36727 28.46942 -8.33227 0.310 4.95875 N ? A ? 17 N 1
   ATOM 488 CA B CYS A 17 ? 52.22201 27.13749 -8.91939 0.310 4.62537 C ? A ? 17 CA 1
   ATOM 489 C B CYS A 17 ? 51.86960 27.19184 -10.40283 0.310 4.54154 C ? A ? 17 C 1
   ATOM 490 O B CYS A 17 ? 52.31848 26.33732 -11.17142 0.310 4.41597 O ? A ? 17 O 1
   ATOM 491 CB B CYS A 17 ? 51.19233 26.31620 -8.13385 0.310 4.30305 C ? A ? 17 CB 1
   ATOM 492 SG B CYS A 17 ? 49.59830 27.18795 -7.87225 0.310 4.33100 S ? A ? 17 SG 1
   ATOM 493 H B CYS A 17 ? 51.71453 28.72070 -7.83188 0.310 5.95050 H ? A ? 17 H 1
   ATOM 494 HA B CYS A 17 ? 53.07676 26.68431 -8.84916 0.310 5.55045 H ? A ? 17 HA 1
   ATOM 495 HB2 B CYS A 17 ? 51.00672 25.49905 -8.62244 0.310 5.16366 H ? A ? 17 HB2 1
   ATOM 496 HB3 B CYS A 17 ? 51.56132 26.10493 -7.26202 0.310 5.16366 H ? A ? 17 HB3 1
   ATOM 497 N C CYS A 17 ? 52.53334 28.36632 -8.35223 0.405 4.95419 N ? A ? 17 N 1
   ATOM 498 CA C CYS A 17 ? 52.26201 27.05823 -8.92343 0.405 4.66525 C ? A ? 17 CA 1
   ATOM 499 C C CYS A 17 ? 51.93058 27.13594 -10.40196 0.405 4.60808 C ? A ? 17 C 1
   ATOM 500 O C CYS A 17 ? 52.39802 26.29660 -11.16134 0.405 4.56785 O ? A ? 17 O 1
   ATOM 501 CB C CYS A 17 ? 51.17007 26.32433 -8.13271 0.405 4.31804 C ? A ? 17 CB 1
   ATOM 502 SG C CYS A 17 ? 49.59676 27.28117 -7.88959 0.405 4.32135 S ? A ? 17 SG 1
   ATOM 503 H C CYS A 17 ? 51.90426 28.68245 -7.85835 0.404 5.94503 H ? A ? 17 H 1
   ATOM 504 HA C CYS A 17 ? 53.06924 26.52639 -8.84322 0.404 5.59830 H ? A ? 17 HA 1
   ATOM 505 HB2 C CYS A 17 ? 50.94394 25.50880 -8.60671 0.404 5.18165 H ? A ? 17 HB2 1
   ATOM 506 HB3 C CYS A 17 ? 51.51930 26.11095 -7.25327 0.404 5.18165 H ? A ? 17 HB3 1
   ATOM 507 N D CYS A 17 ? 52.43403 28.36863 -8.36316 0.285 4.97465 N ? A ? 17 N 1
   ATOM 508 CA D CYS A 17 ? 52.17969 27.09254 -9.05914 0.285 4.56319 C ? A ? 17 CA 1
   ATOM 509 C D CYS A 17 ? 51.68537 27.24609 -10.49881 0.285 3.60235 C ? A ? 17 C 1
   ATOM 510 O D CYS A 17 ? 51.98217 26.37529 -11.33796 0.285 3.83984 O ? A ? 17 O 1
   ATOM 511 CB D CYS A 17 ? 51.20917 26.25561 -8.21712 0.285 4.16739 C ? A ? 17 CB 1
   ATOM 512 SG D CYS A 17 ? 49.64539 27.08166 -7.86199 0.285 4.12089 S ? A ? 17 SG 1
   ATOM 513 H D CYS A 17 ? 51.86440 28.55070 -7.74512 0.285 5.96957 H ? A ? 17 H 1
   ATOM 514 HA D CYS A 17 ? 53.02190 26.61783 -9.13805 0.285 5.47583 H ? A ? 17 HA 1
   ATOM 515 HB2 D CYS A 17 ? 51.00819 25.43679 -8.69674 0.285 5.00087 H ? A ? 17 HB2 1
   ATOM 516 HB3 D CYS A 17 ? 51.63257 26.04816 -7.36942 0.285 5.00087 H ? A ? 17 HB3 1
   ATOM 517 N B GLY A 18 ? 51.06454 28.16637 -10.82249 0.310 4.96773 N ? A ? 18 N 1
   ATOM 518 CA B GLY A 18 ? 50.78281 28.32866 -12.24388 0.310 4.75054 C ? A ? 18 CA 1
   ATOM 519 C B GLY A 18 ? 52.00343 28.74418 -13.04562 0.310 5.31689 C ? A ? 18 C 1
   ATOM 520 O B GLY A 18 ? 52.05571 28.51261 -14.25649 0.310 6.02771 O ? A ? 18 O 1
   ATOM 521 H B GLY A 18 ? 50.67518 28.73784 -10.31119 0.310 5.96128 H ? A ? 18 H 1
   ATOM 522 HA2 B GLY A 18 ? 50.45601 27.48837 -12.60168 0.310 5.70065 H ? A ? 18 HA2 1
   ATOM 523 HA3 B GLY A 18 ? 50.09926 29.00744 -12.35752 0.310 5.70065 H ? A ? 18 HA3 1
   ATOM 524 N C GLY A 18 ? 51.11916 28.09502 -10.83028 0.405 4.84800 N ? A ? 18 N 1
   ATOM 525 CA C GLY A 18 ? 50.84073 28.23263 -12.26086 0.405 4.68236 C ? A ? 18 CA 1
   ATOM 526 C C GLY A 18 ? 52.07679 28.65777 -13.04372 0.405 5.32597 C ? A ? 18 C 1
   ATOM 527 O C GLY A 18 ? 52.24921 28.31762 -14.21877 0.405 5.57761 O ? A ? 18 O 1
   ATOM 528 H C GLY A 18 ? 50.72302 28.66941 -10.32754 0.404 5.81760 H ? A ? 18 H 1
   ATOM 529 HA2 C GLY A 18 ? 50.53102 27.38322 -12.61225 0.404 5.61883 H ? A ? 18 HA2 1
   ATOM 530 HA3 C GLY A 18 ? 50.14890 28.89977 -12.39199 0.404 5.61883 H ? A ? 18 HA3 1
   ATOM 531 N D GLY A 18 ? 50.95236 28.32445 -10.80089 0.285 5.03820 N ? A ? 18 N 1
   ATOM 532 CA D GLY A 18 ? 50.65221 28.61621 -12.19355 0.285 5.30308 C ? A ? 18 CA 1
   ATOM 533 C D GLY A 18 ? 51.88311 28.93812 -13.03397 0.285 5.34745 C ? A ? 18 C 1
   ATOM 534 O D GLY A 18 ? 51.80950 28.86417 -14.27009 0.285 5.18494 O ? A ? 18 O 1
   ATOM 535 H D GLY A 18 ? 50.62986 28.88187 -10.23091 0.285 6.04585 H ? A ? 18 H 1
   ATOM 536 HA2 D GLY A 18 ? 50.21175 27.84756 -12.58861 0.285 6.36370 H ? A ? 18 HA2 1
   ATOM 537 HA3 D GLY A 18 ? 50.05363 29.37843 -12.23382 0.285 6.36370 H ? A ? 18 HA3 1
   ATOM 538 N . ALA A 19 ? 52.99564 29.35935 -12.38984 1.000 5.54269 N ? A ? 19 N 1
   ATOM 539 CA . ALA A 19 ? 54.26756 29.68619 -13.06132 1.000 5.90735 C ? A ? 19 CA 1
   ATOM 540 C . ALA A 19 ? 55.08988 28.42139 -13.22978 1.000 5.76688 C ? A ? 19 C 1
   ATOM 541 O . ALA A 19 ? 55.77982 28.21805 -14.25506 1.000 7.23518 O ? A ? 19 O 1
   ATOM 542 CB . ALA A 19 ? 55.03360 30.75752 -12.28245 1.000 6.77006 C ? A ? 19 CB 1
   ATOM 543 HA . ALA A 19 ? 54.10288 30.06998 -13.93681 1.000 7.08882 H ? A ? 19 HA 1
   ATOM 544 HB1 . ALA A 19 ? 55.88610 30.91527 -12.71749 1.000 8.12408 H ? A ? 19 HB1 1
   ATOM 545 HB2 . ALA A 19 ? 54.51117 31.57475 -12.27234 1.000 8.12408 H ? A ? 19 HB2 1
   ATOM 546 HB3 . ALA A 19 ? 55.17783 30.44589 -11.37527 1.000 8.12408 H ? A ? 19 HB3 1
   ATOM 547 H B ALA A 19 ? 52.96215 29.59748 -11.56415 0.310 6.65123 H ? A ? 19 H 1
   ATOM 548 H C ALA A 19 ? 52.91922 29.65220 -11.58486 0.404 6.65123 H ? A ? 19 H 1
   ATOM 549 H D ALA A 19 ? 53.03663 29.46594 -11.53746 0.285 6.65123 H ? A ? 19 H 1
   ATOM 550 N . ALA A 20 ? 55.11664 27.55125 -12.21591 1.000 5.61327 N ? A ? 20 N 1
   ATOM 551 CA . ALA A 20 ? 55.88695 26.30522 -12.26107 1.000 6.31148 C ? A ? 20 CA 1
   ATOM 552 C . ALA A 20 ? 55.27440 25.28117 -13.20517 1.000 5.71332 C ? A ? 20 C 1
   ATOM 553 O . ALA A 20 ? 55.98324 24.45602 -13.79410 1.000 6.80701 O ? A ? 20 O 1
   ATOM 554 CB . ALA A 20 ? 55.96108 25.68299 -10.85188 1.000 6.85217 C ? A ? 20 CB 1
   ATOM 555 H . ALA A 20 ? 54.69022 27.65968 -11.47699 1.000 6.73592 H ? A ? 20 H 1
   ATOM 556 HA . ALA A 20 ? 56.77927 26.52255 -12.57320 1.000 7.57377 H ? A ? 20 HA 1
   ATOM 557 HB1 . ALA A 20 ? 56.43864 24.84028 -10.90349 1.000 8.22260 H ? A ? 20 HB1 1
   ATOM 558 HB2 . ALA A 20 ? 56.42995 26.29329 -10.26146 1.000 8.22260 H ? A ? 20 HB2 1
   ATOM 559 HB3 . ALA A 20 ? 55.06018 25.53318 -10.52503 1.000 8.22260 H ? A ? 20 HB3 1
   ATOM 560 N A ALA A 21 ? 53.95829 25.17043 -13.22670 0.337 5.09617 N ? A ? 21 N 1
   ATOM 561 CA A ALA A 21 ? 53.27809 24.09395 -13.94421 0.337 4.62674 C ? A ? 21 CA 1
   ATOM 562 C A ALA A 21 ? 52.07211 24.72870 -14.58254 0.337 4.97585 C ? A ? 21 C 1
   ATOM 563 O A ALA A 21 ? 50.92533 24.54412 -14.11991 0.337 5.33024 O ? A ? 21 O 1
   ATOM 564 CB A ALA A 21 ? 52.83837 22.97872 -13.00547 0.337 5.22011 C ? A ? 21 CB 1
   ATOM 565 H A ALA A 21 ? 53.42381 25.71349 -12.82791 0.337 6.11540 H ? A ? 21 H 1
   ATOM 566 HA A ALA A 21 ? 53.87171 23.70545 -14.60571 0.337 5.55209 H ? A ? 21 HA 1
   ATOM 567 HB1 A ALA A 21 ? 52.36189 22.30559 -13.51612 0.337 6.26413 H ? A ? 21 HB1 1
   ATOM 568 HB2 A ALA A 21 ? 53.62313 22.58620 -12.59198 0.337 6.26413 H ? A ? 21 HB2 1
   ATOM 569 HB3 A ALA A 21 ? 52.25648 23.35044 -12.32420 0.337 6.26413 H ? A ? 21 HB3 1
   ATOM 570 N B ALA A 21 ? 53.92945 25.28824 -13.33508 0.663 5.24081 N ? A ? 21 N 1
   ATOM 571 CA B ALA A 21 ? 53.16970 24.22392 -14.01418 0.663 5.38163 C ? A ? 21 CA 1
   ATOM 572 C B ALA A 21 ? 51.87086 24.80562 -14.59542 0.663 4.45879 C ? A ? 21 C 1
   ATOM 573 O B ALA A 21 ? 50.75644 24.44718 -14.14731 0.663 4.54235 O ? A ? 21 O 1
   ATOM 574 CB B ALA A 21 ? 52.95197 23.03608 -13.05532 0.663 5.24724 C ? A ? 21 CB 1
   ATOM 575 H B ALA A 21 ? 53.42669 25.91549 -13.02949 0.663 6.28897 H ? A ? 21 H 1
   ATOM 576 HA B ALA A 21 ? 53.66682 23.88948 -14.77702 0.663 6.45795 H ? A ? 21 HA 1
   ATOM 577 HB1 B ALA A 21 ? 52.49286 22.32627 -13.53102 0.663 6.29669 H ? A ? 21 HB1 1
   ATOM 578 HB2 B ALA A 21 ? 53.81423 22.72068 -12.74239 0.663 6.29669 H ? A ? 21 HB2 1
   ATOM 579 HB3 B ALA A 21 ? 52.41505 23.33149 -12.30342 0.663 6.29669 H ? A ? 21 HB3 1
   ATOM 580 N A PRO A 22 ? 52.28846 25.48860 -15.65890 0.337 4.68919 N ? A ? 22 N 1
   ATOM 581 CA A PRO A 22 ? 51.18679 26.24823 -16.26492 0.337 5.75889 C ? A ? 22 CA 1
   ATOM 582 C A PRO A 22 ? 50.06317 25.39963 -16.80642 0.337 5.76210 C ? A ? 22 C 1
   ATOM 583 O A PRO A 22 ? 48.93604 25.89404 -16.90272 0.337 7.00583 O ? A ? 22 O 1
   ATOM 584 CB A PRO A 22 ? 51.85233 27.09688 -17.37742 0.337 4.44296 C ? A ? 22 CB 1
   ATOM 585 CG A PRO A 22 ? 53.19830 26.49548 -17.55476 0.337 7.79955 C ? A ? 22 CG 1
   ATOM 586 CD A PRO A 22 ? 53.59003 25.87830 -16.21947 0.337 5.11927 C ? A ? 22 CD 1
   ATOM 587 HA A PRO A 22 ? 50.83255 26.84987 -15.59154 0.337 6.91067 H ? A ? 22 HA 1
   ATOM 588 HB2 A PRO A 22 ? 51.33367 27.03716 -18.19493 0.337 5.33155 H ? A ? 22 HB2 1
   ATOM 589 HB3 A PRO A 22 ? 51.91884 28.02203 -17.09355 0.337 5.33155 H ? A ? 22 HB3 1
   ATOM 590 HG2 A PRO A 22 ? 53.15885 25.81469 -18.24459 0.337 9.35946 H ? A ? 22 HG2 1
   ATOM 591 HG3 A PRO A 22 ? 53.82978 27.18721 -17.80703 0.337 9.35946 H ? A ? 22 HG3 1
   ATOM 592 HD2 A PRO A 22 ? 54.16065 25.10433 -16.34702 0.337 6.14312 H ? A ? 22 HD2 1
   ATOM 593 HD3 A PRO A 22 ? 54.03384 26.52776 -15.65190 0.337 6.14312 H ? A ? 22 HD3 1
   ATOM 594 N B PRO A 22 ? 51.98213 25.72890 -15.57665 0.663 5.08486 N ? A ? 22 N 1
   ATOM 595 CA B PRO A 22 ? 50.77726 26.40760 -16.10058 0.663 5.09549 C ? A ? 22 CA 1
   ATOM 596 C B PRO A 22 ? 49.78289 25.45174 -16.75954 0.663 5.81662 C ? A ? 22 C 1
   ATOM 597 O B PRO A 22 ? 48.60948 25.81976 -16.86578 0.663 6.40066 O ? A ? 22 O 1
   ATOM 598 CB B PRO A 22 ? 51.36411 27.40113 -17.12133 0.663 6.63826 C ? A ? 22 CB 1
   ATOM 599 CG B PRO A 22 ? 52.71019 26.80407 -17.51823 0.663 7.34484 C ? A ? 22 CG 1
   ATOM 600 CD B PRO A 22 ? 53.22000 26.19103 -16.24839 0.663 5.47546 C ? A ? 22 CD 1
   ATOM 601 HA B PRO A 22 ? 50.32818 26.89723 -15.39383 0.663 6.11458 H ? A ? 22 HA 1
   ATOM 602 HB2 B PRO A 22 ? 50.77561 27.47287 -17.88908 0.663 7.96592 H ? A ? 22 HB2 1
   ATOM 603 HB3 B PRO A 22 ? 51.47796 28.27131 -16.70814 0.663 7.96592 H ? A ? 22 HB3 1
   ATOM 604 HG2 B PRO A 22 ? 52.58885 26.13275 -18.20779 0.663 8.81381 H ? A ? 22 HG2 1
   ATOM 605 HG3 B PRO A 22 ? 53.30573 27.50114 -17.83497 0.663 8.81381 H ? A ? 22 HG3 1
   ATOM 606 HD2 B PRO A 22 ? 53.81019 25.44477 -16.43727 0.663 6.57055 H ? A ? 22 HD2 1
   ATOM 607 HD3 B PRO A 22 ? 53.68168 26.85038 -15.70709 0.663 6.57055 H ? A ? 22 HD3 1
   ATOM 608 N A ASP A 23 ? 50.29309 24.16763 -17.17272 0.337 6.09049 N ? A ? 23 N 1
   ATOM 609 CA A ASP A 23 ? 49.21239 23.38044 -17.74800 0.337 5.72884 C ? A ? 23 CA 1
   ATOM 610 C A ASP A 23 ? 48.43397 22.59868 -16.70944 0.337 5.31218 C ? A ? 23 C 1
   ATOM 611 O A ASP A 23 ? 47.44252 21.94153 -17.05768 0.337 6.11817 O ? A ? 23 O 1
   ATOM 612 CB A ASP A 23 ? 49.85308 22.51992 -18.82164 0.337 6.12290 C ? A ? 23 CB 1
   ATOM 613 CG A ASP A 23 ? 50.58623 23.41263 -19.81878 0.337 8.05562 C ? A ? 23 CG 1
   ATOM 614 OD1 A ASP A 23 ? 49.89356 24.19892 -20.50436 0.337 7.48359 O ? A ? 23 OD1 1
   ATOM 615 OD2 A ASP A 23 ? 51.82643 23.47924 -19.81083 0.337 6.10124 O ? A ? 23 OD2 1
   ATOM 616 H A ASP A 23 ? 51.04899 23.76332 -17.10378 0.337 7.30859 H ? A ? 23 H 1
   ATOM 617 HA A ASP A 23 ? 48.52981 23.92345 -18.17240 0.337 6.87461 H ? A ? 23 HA 1
   ATOM 618 HB2 A ASP A 23 ? 50.49101 21.91110 -18.41756 0.337 7.34748 H ? A ? 23 HB2 1
   ATOM 619 HB3 A ASP A 23 ? 49.16907 22.01900 -19.29291 0.337 7.34748 H ? A ? 23 HB3 1
   ATOM 620 N B ASP A 23 ? 50.21496 24.26420 -17.17310 0.663 5.79685 N ? A ? 23 N 1
   ATOM 621 CA B ASP A 23 ? 49.35478 23.22893 -17.77942 0.663 5.70473 C ? A ? 23 CA 1
   ATOM 622 C B ASP A 23 ? 48.59377 22.40522 -16.73734 0.663 5.20411 C ? A ? 23 C 1
   ATOM 623 O B ASP A 23 ? 47.73263 21.55969 -17.11723 0.663 5.52382 O ? A ? 23 O 1
   ATOM 624 CB B ASP A 23 ? 50.12394 22.27878 -18.69409 0.663 6.74008 C ? A ? 23 CB 1
   ATOM 625 CG B ASP A 23 ? 50.83061 22.98790 -19.77526 0.663 9.18636 C ? A ? 23 CG 1
   ATOM 626 OD1 B ASP A 23 ? 50.12855 23.59590 -20.58901 0.663 11.07329 O ? A ? 23 OD1 1
   ATOM 627 OD2 B ASP A 23 ? 52.07883 22.94047 -19.75406 0.663 11.32779 O ? A ? 23 OD2 1
   ATOM 628 H B ASP A 23 ? 51.03598 24.01498 -17.11475 0.663 6.95622 H ? A ? 23 H 1
   ATOM 629 HA B ASP A 23 ? 48.72127 23.69718 -18.34538 0.663 6.84568 H ? A ? 23 HA 1
   ATOM 630 HB2 B ASP A 23 ? 50.78215 21.79668 -18.16946 0.663 8.08810 H ? A ? 23 HB2 1
   ATOM 631 HB3 B ASP A 23 ? 49.50134 21.65512 -19.09946 0.663 8.08810 H ? A ? 23 HB3 1
   ATOM 632 N . ILE A 24 ? 48.83235 22.69464 -15.45477 1.000 4.83456 N ? A ? 24 N 1
   ATOM 633 CA . ILE A 24 ? 48.19750 21.96250 -14.35614 1.000 4.76671 C ? A ? 24 CA 1
   ATOM 634 C . ILE A 24 ? 47.37885 22.87171 -13.40340 1.000 4.85094 C ? A ? 24 C 1
   ATOM 635 O . ILE A 24 ? 46.28998 22.44878 -12.96446 1.000 5.45699 O ? A ? 24 O 1
   ATOM 636 HA . ILE A 24 ? 47.56622 21.34431 -14.75643 1.000 5.72005 H ? A ? 24 HA 1
   ATOM 637 CB A ILE A 24 ? 49.24503 21.15893 -13.55000 0.573 4.60602 C ? A ? 24 CB 1
   ATOM 638 CG1 A ILE A 24 ? 50.11656 20.28662 -14.44707 0.573 4.62199 C ? A ? 24 CG1 1
   ATOM 639 CG2 A ILE A 24 ? 48.55198 20.29952 -12.44671 0.573 4.56966 C ? A ? 24 CG2 1
   ATOM 640 CD1 A ILE A 24 ? 51.24363 19.53999 -13.66945 0.573 5.41178 C ? A ? 24 CD1 1
   ATOM 641 H A ILE A 24 ? 49.48714 23.19015 -15.19918 0.337 5.80147 H ? A ? 24 H 1
   ATOM 642 HB A ILE A 24 ? 49.82999 21.80420 -13.12298 0.573 5.52722 H ? A ? 24 HB 1
   ATOM 643 HG12 A ILE A 24 ? 49.55753 19.61983 -14.87576 0.573 5.54639 H ? A ? 24 HG12 1
   ATOM 644 HG13 A ILE A 24 ? 50.53743 20.84736 -15.11740 0.573 5.54639 H ? A ? 24 HG13 1
   ATOM 645 HG21 A ILE A 24 ? 49.23222 19.83494 -11.93452 0.573 5.48359 H ? A ? 24 HG21 1
   ATOM 646 HG22 A ILE A 24 ? 48.04169 20.88437 -11.86494 0.573 5.48359 H ? A ? 24 HG22 1
   ATOM 647 HG23 A ILE A 24 ? 47.96135 19.65761 -12.87098 0.573 5.48359 H ? A ? 24 HG23 1
   ATOM 648 HD11 A ILE A 24 ? 51.88679 19.18911 -14.30516 0.573 6.49414 H ? A ? 24 HD11 1
   ATOM 649 HD12 A ILE A 24 ? 51.67943 20.16423 -13.06836 0.573 6.49414 H ? A ? 24 HD12 1
   ATOM 650 HD13 A ILE A 24 ? 50.84930 18.81310 -13.16246 0.573 6.49414 H ? A ? 24 HD13 1
   ATOM 651 CB B ILE A 24 ? 49.21039 21.12975 -13.54409 0.427 4.59947 C ? A ? 24 CB 1
   ATOM 652 CG1 B ILE A 24 ? 49.87719 20.09805 -14.43545 0.427 5.43779 C ? A ? 24 CG1 1
   ATOM 653 CG2 B ILE A 24 ? 48.49063 20.44758 -12.37579 0.427 4.60034 C ? A ? 24 CG2 1
   ATOM 654 CD1 B ILE A 24 ? 50.94555 19.28090 -13.71525 0.427 4.74406 C ? A ? 24 CD1 1
   ATOM 655 H B ILE A 24 ? 49.36427 23.31804 -15.19393 0.663 5.80147 H ? A ? 24 H 1
   ATOM 656 HB B ILE A 24 ? 49.89786 21.71781 -13.19414 0.427 5.51936 H ? A ? 24 HB 1
   ATOM 657 HG12 B ILE A 24 ? 49.20225 19.48344 -14.76348 0.427 6.52534 H ? A ? 24 HG12 1
   ATOM 658 HG13 B ILE A 24 ? 50.30114 20.55330 -15.17971 0.427 6.52534 H ? A ? 24 HG13 1
   ATOM 659 HG21 B ILE A 24 ? 49.07962 19.78190 -11.98739 0.427 5.52041 H ? A ? 24 HG21 1
   ATOM 660 HG22 B ILE A 24 ? 48.26342 21.11642 -11.71101 0.427 5.52041 H ? A ? 24 HG22 1
   ATOM 661 HG23 B ILE A 24 ? 47.68386 20.02269 -12.70669 0.427 5.52041 H ? A ? 24 HG23 1
   ATOM 662 HD11 B ILE A 24 ? 51.52924 18.87357 -14.37426 0.427 5.69288 H ? A ? 24 HD11 1
   ATOM 663 HD12 B ILE A 24 ? 51.45759 19.86910 -13.13842 0.427 5.69288 H ? A ? 24 HD12 1
   ATOM 664 HD13 B ILE A 24 ? 50.51322 18.59261 -13.18587 0.427 5.69288 H ? A ? 24 HD13 1
   ATOM 665 N . TYR A 25 ? 47.93350 24.02536 -13.04006 1.000 4.83472 N ? A ? 25 N 1
   ATOM 666 CA . TYR A 25 ? 47.29924 24.87919 -12.02130 1.000 4.80681 C ? A ? 25 CA 1
   ATOM 667 C . TYR A 25 ? 46.94373 26.23481 -12.61719 1.000 5.58961 C ? A ? 25 C 1
   ATOM 668 O . TYR A 25 ? 47.75002 26.82581 -13.38406 1.000 6.68478 O ? A ? 25 O 1
   ATOM 669 CB . TYR A 25 ? 48.25491 25.11647 -10.81197 1.000 5.19364 C ? A ? 25 CB 1
   ATOM 670 CG . TYR A 25 ? 48.79920 23.85459 -10.20716 1.000 4.53774 C ? A ? 25 CG 1
   ATOM 671 CD1 . TYR A 25 ? 48.07473 23.10084 -9.28071 1.000 4.44638 C ? A ? 25 CD1 1
   ATOM 672 CD2 . TYR A 25 ? 50.02316 23.35630 -10.64222 1.000 4.72187 C ? A ? 25 CD2 1
   ATOM 673 CE1 . TYR A 25 ? 48.57258 21.88005 -8.82743 1.000 4.21184 C ? A ? 25 CE1 1
   ATOM 674 CE2 . TYR A 25 ? 50.51254 22.12785 -10.21905 1.000 4.29467 C ? A ? 25 CE2 1
   ATOM 675 CZ . TYR A 25 ? 49.75223 21.39568 -9.30316 1.000 4.01093 C ? A ? 25 CZ 1
   ATOM 676 OH . TYR A 25 ? 50.27646 20.16755 -8.93206 1.000 4.29867 O ? A ? 25 OH 1
   ATOM 677 H . TYR A 25 ? 48.66792 24.33597 -13.36215 1.000 5.80167 H ? A ? 25 H 1
   ATOM 678 HA . TYR A 25 ? 46.48814 24.44389 -11.71549 1.000 5.76817 H ? A ? 25 HA 1
   ATOM 679 HB2 . TYR A 25 ? 49.00834 25.64925 -11.11093 1.000 6.23237 H ? A ? 25 HB2 1
   ATOM 680 HB3 . TYR A 25 ? 47.76809 25.58965 -10.11914 1.000 6.23237 H ? A ? 25 HB3 1
   ATOM 681 HD1 . TYR A 25 ? 47.25791 23.41429 -8.96537 1.000 5.33566 H ? A ? 25 HD1 1
   ATOM 682 HD2 . TYR A 25 ? 50.52982 23.86236 -11.23560 1.000 5.66624 H ? A ? 25 HD2 1
   ATOM 683 HE1 . TYR A 25 ? 48.09506 21.39300 -8.19525 1.000 5.05421 H ? A ? 25 HE1 1
   ATOM 684 HE2 . TYR A 25 ? 51.32356 21.80139 -10.53619 1.000 5.15361 H ? A ? 25 HE2 1
   ATOM 685 HH . TYR A 25 ? 51.01212 20.04096 -9.31727 1.000 5.15841 H ? A ? 25 HH 1
   ATOM 686 N A ASP A 26 ? 45.77589 26.74904 -12.26329 0.242 5.47463 N ? A ? 26 N 1
   ATOM 687 CA A ASP A 26 ? 45.41161 28.12807 -12.57625 0.242 5.87990 C ? A ? 26 CA 1
   ATOM 688 C A ASP A 26 ? 44.70867 28.65588 -11.33336 0.242 6.01399 C ? A ? 26 C 1
   ATOM 689 O A ASP A 26 ? 44.90926 28.10541 -10.25053 0.242 6.00347 O ? A ? 26 O 1
   ATOM 690 CB A ASP A 26 ? 44.65907 28.22309 -13.90467 0.242 6.50795 C ? A ? 26 CB 1
   ATOM 691 CG A ASP A 26 ? 44.74982 29.58812 -14.51426 0.242 7.91115 C ? A ? 26 CG 1
   ATOM 692 OD1 A ASP A 26 ? 44.11264 30.54102 -14.07595 0.242 6.56947 O ? A ? 26 OD1 1
   ATOM 693 OD2 A ASP A 26 ? 45.49046 29.71152 -15.44367 0.242 10.62894 O ? A ? 26 OD2 1
   ATOM 694 H A ASP A 26 ? 45.16778 26.31658 -11.83575 0.242 6.56955 H ? A ? 26 H 1
   ATOM 695 HA A ASP A 26 ? 46.20251 28.67225 -12.71497 0.242 7.05589 H ? A ? 26 HA 1
   ATOM 696 HB2 A ASP A 26 ? 45.03874 27.58715 -14.53104 0.242 7.80954 H ? A ? 26 HB2 1
   ATOM 697 HB3 A ASP A 26 ? 43.72224 28.02160 -13.75418 0.242 7.80954 H ? A ? 26 HB3 1
   ATOM 698 N C ASP A 26 ? 45.76239 26.73687 -12.27570 0.247 5.47182 N ? A ? 26 N 1
   ATOM 699 CA C ASP A 26 ? 45.39538 28.12822 -12.53008 0.247 5.90083 C ? A ? 26 CA 1
   ATOM 700 C C ASP A 26 ? 44.65709 28.62735 -11.28888 0.247 5.88063 C ? A ? 26 C 1
   ATOM 701 O C ASP A 26 ? 44.78098 28.03948 -10.21314 0.247 6.25277 O ? A ? 26 O 1
   ATOM 702 CB C ASP A 26 ? 44.65467 28.29129 -13.86598 0.247 6.44955 C ? A ? 26 CB 1
   ATOM 703 CG C ASP A 26 ? 44.64044 29.73880 -14.35005 0.247 6.63431 C ? A ? 26 CG 1
   ATOM 704 OD1 C ASP A 26 ? 45.71400 30.24494 -14.69515 0.247 6.81874 O ? A ? 26 OD1 1
   ATOM 705 OD2 C ASP A 26 ? 43.56520 30.35182 -14.40723 0.247 7.52278 O ? A ? 26 OD2 1
   ATOM 706 H C ASP A 26 ? 45.14284 26.28395 -11.88761 0.247 6.56618 H ? A ? 26 H 1
   ATOM 707 HA C ASP A 26 ? 46.20327 28.65725 -12.62150 0.247 7.08099 H ? A ? 26 HA 1
   ATOM 708 HB2 C ASP A 26 ? 45.09522 27.75192 -14.54118 0.247 7.73946 H ? A ? 26 HB2 1
   ATOM 709 HB3 C ASP A 26 ? 43.73563 28.00081 -13.75696 0.247 7.73946 H ? A ? 26 HB3 1
   ATOM 710 N D ASP A 26 ? 45.75243 26.73045 -12.26702 0.511 5.47053 N ? A ? 26 N 1
   ATOM 711 CA D ASP A 26 ? 45.30731 28.09135 -12.55697 0.511 5.75959 C ? A ? 26 CA 1
   ATOM 712 C D ASP A 26 ? 44.57147 28.60125 -11.30729 0.511 5.57879 C ? A ? 26 C 1
   ATOM 713 O D ASP A 26 ? 44.62797 27.97657 -10.25090 0.511 5.92216 O ? A ? 26 O 1
   ATOM 714 CB D ASP A 26 ? 44.43824 28.13261 -13.82940 0.511 6.51690 C ? A ? 26 CB 1
   ATOM 715 CG D ASP A 26 ? 44.52315 29.44827 -14.59683 0.511 7.58023 C ? A ? 26 CG 1
   ATOM 716 OD1 D ASP A 26 ? 44.89432 30.50411 -14.04905 0.511 8.97611 O ? A ? 26 OD1 1
   ATOM 717 OD2 D ASP A 26 ? 44.22409 29.41872 -15.81493 0.511 11.45086 O ? A ? 26 OD2 1
   ATOM 718 H D ASP A 26 ? 45.15987 26.27495 -11.84159 0.511 6.56464 H ? A ? 26 H 1
   ATOM 719 HA D ASP A 26 ? 46.07973 28.65566 -12.71767 0.511 6.91151 H ? A ? 26 HA 1
   ATOM 720 HB2 D ASP A 26 ? 44.72640 27.42433 -14.42623 0.511 7.82029 H ? A ? 26 HB2 1
   ATOM 721 HB3 D ASP A 26 ? 43.51124 27.99771 -13.57769 0.511 7.82029 H ? A ? 26 HB3 1
   ATOM 722 N A TYR A 27 ? 43.94087 29.74303 -11.47315 0.242 6.67960 N ? A ? 27 N 1
   ATOM 723 CA A TYR A 27 ? 43.40633 30.42846 -10.30606 0.242 6.88831 C ? A ? 27 CA 1
   ATOM 724 C A TYR A 27 ? 41.98760 30.90172 -10.55877 0.242 7.65132 C ? A ? 27 C 1
   ATOM 725 O A TYR A 27 ? 41.60136 31.20251 -11.69169 0.242 7.77325 O ? A ? 27 O 1
   ATOM 726 CB A TYR A 27 ? 44.23025 31.66424 -9.94420 0.242 8.32788 C ? A ? 27 CB 1
   ATOM 727 CG A TYR A 27 ? 45.72904 31.41386 -10.00999 0.242 7.47836 C ? A ? 27 CG 1
   ATOM 728 CD1 A TYR A 27 ? 46.42017 30.82410 -8.98509 0.242 7.17395 C ? A ? 27 CD1 1
   ATOM 729 CD2 A TYR A 27 ? 46.44680 31.73229 -11.14176 0.242 9.23937 C ? A ? 27 CD2 1
   ATOM 730 CE1 A TYR A 27 ? 47.81333 30.59103 -9.11188 0.242 5.73847 C ? A ? 27 CE1 1
   ATOM 731 CE2 A TYR A 27 ? 47.80254 31.54434 -11.24276 0.242 8.42240 C ? A ? 27 CE2 1
   ATOM 732 CZ A TYR A 27 ? 48.48048 30.96233 -10.23123 0.242 5.99115 C ? A ? 27 CZ 1
   ATOM 733 OH A TYR A 27 ? 49.84258 30.74918 -10.26928 0.242 6.05438 O ? A ? 27 OH 1
   ATOM 734 H A TYR A 27 ? 43.72189 30.09347 -12.22736 0.242 8.01552 H ? A ? 27 H 1
   ATOM 735 HA A TYR A 27 ? 43.40610 29.79222 -9.57387 0.242 8.26597 H ? A ? 27 HA 1
   ATOM 736 HB2 A TYR A 27 ? 44.01772 32.37814 -10.56555 0.242 9.99346 H ? A ? 27 HB2 1
   ATOM 737 HB3 A TYR A 27 ? 44.01082 31.93580 -9.03922 0.242 9.99346 H ? A ? 27 HB3 1
   ATOM 738 HD1 A TYR A 27 ? 45.97607 30.57659 -8.20636 0.242 8.60874 H ? A ? 27 HD1 1
   ATOM 739 HD2 A TYR A 27 ? 45.99247 32.09059 -11.86984 0.242 11.08724 H ? A ? 27 HD2 1
   ATOM 740 HE1 A TYR A 27 ? 48.27480 30.17814 -8.41800 0.242 6.88616 H ? A ? 27 HE1 1
   ATOM 741 HE2 A TYR A 27 ? 48.25413 31.81806 -12.00830 0.242 10.10687 H ? A ? 27 HE2 1
   ATOM 742 HH A TYR A 27 ? 50.07231 30.49518 -11.03630 0.242 7.26525 H ? A ? 27 HH 1
   ATOM 743 N C TYR A 27 ? 43.91947 29.72764 -11.43020 0.247 6.69142 N ? A ? 27 N 1
   ATOM 744 CA C TYR A 27 ? 43.42673 30.43098 -10.26964 0.247 6.88293 C ? A ? 27 CA 1
   ATOM 745 C C TYR A 27 ? 42.06208 30.98810 -10.58030 0.247 7.66781 C ? A ? 27 C 1
   ATOM 746 O C TYR A 27 ? 41.79201 31.43284 -11.69659 0.247 7.02554 O ? A ? 27 O 1
   ATOM 747 CB C TYR A 27 ? 44.28105 31.63961 -9.94496 0.247 8.43987 C ? A ? 27 CB 1
   ATOM 748 CG C TYR A 27 ? 45.76945 31.36631 -10.09346 0.247 7.58156 C ? A ? 27 CG 1
   ATOM 749 CD1 C TYR A 27 ? 46.52538 30.88606 -9.05268 0.247 7.03439 C ? A ? 27 CD1 1
   ATOM 750 CD2 C TYR A 27 ? 46.40913 31.54608 -11.29019 0.247 8.72161 C ? A ? 27 CD2 1
   ATOM 751 CE1 C TYR A 27 ? 47.90115 30.62219 -9.21131 0.247 4.86645 C ? A ? 27 CE1 1
   ATOM 752 CE2 C TYR A 27 ? 47.74542 31.30348 -11.43250 0.247 7.43473 C ? A ? 27 CE2 1
   ATOM 753 CZ C TYR A 27 ? 48.48600 30.86487 -10.37400 0.247 5.63059 C ? A ? 27 CZ 1
   ATOM 754 OH C TYR A 27 ? 49.82967 30.59858 -10.37751 0.247 5.94338 O ? A ? 27 OH 1
   ATOM 755 H C TYR A 27 ? 43.69806 30.07589 -12.18472 0.247 8.02970 H ? A ? 27 H 1
   ATOM 756 HA C TYR A 27 ? 43.40109 29.80861 -9.52607 0.247 8.25952 H ? A ? 27 HA 1
   ATOM 757 HB2 C TYR A 27 ? 44.04703 32.36256 -10.54785 0.247 10.12785 H ? A ? 27 HB2 1
   ATOM 758 HB3 C TYR A 27 ? 44.11494 31.90607 -9.02719 0.247 10.12785 H ? A ? 27 HB3 1
   ATOM 759 HD1 C TYR A 27 ? 46.12275 30.73214 -8.22861 0.247 8.44127 H ? A ? 27 HD1 1
   ATOM 760 HD2 C TYR A 27 ? 45.92129 31.84093 -12.02502 0.247 10.46593 H ? A ? 27 HD2 1
   ATOM 761 HE1 C TYR A 27 ? 48.39569 30.27916 -8.50233 0.247 5.83974 H ? A ? 27 HE1 1
   ATOM 762 HE2 C TYR A 27 ? 48.15370 31.43825 -12.25715 0.247 8.92167 H ? A ? 27 HE2 1
   ATOM 763 HH C TYR A 27 ? 50.07284 30.33768 -9.61698 0.247 7.13206 H ? A ? 27 HH 1
   ATOM 764 N D TYR A 27 ? 43.83418 29.72055 -11.42590 0.511 6.49210 N ? A ? 27 N 1
   ATOM 765 CA D TYR A 27 ? 43.33071 30.42105 -10.24756 0.511 6.84643 C ? A ? 27 CA 1
   ATOM 766 C D TYR A 27 ? 41.86214 30.80663 -10.40476 0.511 6.52298 C ? A ? 27 C 1
   ATOM 767 O D TYR A 27 ? 41.38921 31.08683 -11.50899 0.511 7.19773 O ? A ? 27 O 1
   ATOM 768 CB D TYR A 27 ? 44.15665 31.66054 -9.94893 0.511 8.14252 C ? A ? 27 CB 1
   ATOM 769 CG D TYR A 27 ? 45.63286 31.38210 -9.90126 0.511 7.10281 C ? A ? 27 CG 1
   ATOM 770 CD1 D TYR A 27 ? 46.23612 30.83983 -8.79094 0.511 6.25921 C ? A ? 27 CD1 1
   ATOM 771 CD2 D TYR A 27 ? 46.39007 31.61112 -11.05278 0.511 9.30471 C ? A ? 27 CD2 1
   ATOM 772 CE1 D TYR A 27 ? 47.62431 30.59945 -8.85558 0.511 8.50445 C ? A ? 27 CE1 1
   ATOM 773 CE2 D TYR A 27 ? 47.71075 31.42303 -11.14506 0.511 8.77452 C ? A ? 27 CE2 1
   ATOM 774 CZ D TYR A 27 ? 48.37318 30.92240 -10.04978 0.511 8.02811 C ? A ? 27 CZ 1
   ATOM 775 OH D TYR A 27 ? 49.74855 30.74903 -10.10839 0.511 9.39815 O ? A ? 27 OH 1
   ATOM 776 H D TYR A 27 ? 43.61872 30.08385 -12.17502 0.511 7.79052 H ? A ? 27 H 1
   ATOM 777 HA D TYR A 27 ? 43.37985 29.81594 -9.49104 0.511 8.21571 H ? A ? 27 HA 1
   ATOM 778 HB2 D TYR A 27 ? 43.99819 32.31957 -10.64281 0.511 9.77102 H ? A ? 27 HB2 1
   ATOM 779 HB3 D TYR A 27 ? 43.89072 32.01624 -9.08658 0.511 9.77102 H ? A ? 27 HB3 1
   ATOM 780 HD1 D TYR A 27 ? 45.74695 30.63907 -8.02588 0.511 7.51105 H ? A ? 27 HD1 1
   ATOM 781 HD2 D TYR A 27 ? 45.94360 31.91627 -11.80938 0.511 11.16565 H ? A ? 27 HD2 1
   ATOM 782 HE1 D TYR A 27 ? 48.06229 30.22971 -8.12321 0.511 10.20534 H ? A ? 27 HE1 1
   ATOM 783 HE2 D TYR A 27 ? 48.16850 31.62541 -11.92890 0.511 10.52942 H ? A ? 27 HE2 1
   ATOM 784 HH D TYR A 27 ? 50.03172 30.44885 -9.37674 0.511 11.27778 H ? A ? 27 HH 1
   ATOM 785 N A ASP A 28 ? 41.22831 31.00533 -9.46768 0.242 8.44824 N ? A ? 28 N 1
   ATOM 786 CA A ASP A 28 ? 39.94688 31.69529 -9.49613 0.242 11.25178 C ? A ? 28 CA 1
   ATOM 787 C A ASP A 28 ? 40.14400 33.21235 -9.48949 0.242 12.95819 C ? A ? 28 C 1
   ATOM 788 O A ASP A 28 ? 41.27101 33.73370 -9.48366 0.242 14.06402 O ? A ? 28 O 1
   ATOM 789 CB A ASP A 28 ? 38.99985 31.21233 -8.37714 0.242 12.21715 C ? A ? 28 CB 1
   ATOM 790 CG A ASP A 28 ? 39.30459 31.80063 -6.99892 0.242 12.00662 C ? A ? 28 CG 1
   ATOM 791 OD1 A ASP A 28 ? 40.25087 32.59178 -6.84040 0.242 9.36294 O ? A ? 28 OD1 1
   ATOM 792 OD2 A ASP A 28 ? 38.52350 31.53118 -6.05243 0.242 10.82582 O ? A ? 28 OD2 1
   ATOM 793 H A ASP A 28 ? 41.43676 30.68244 -8.69833 0.242 10.13789 H ? A ? 28 H 1
   ATOM 794 HA A ASP A 28 ? 39.51130 31.46419 -10.33145 0.242 13.50214 H ? A ? 28 HA 1
   ATOM 795 HB2 A ASP A 28 ? 38.09202 31.46312 -8.60917 0.242 14.66058 H ? A ? 28 HB2 1
   ATOM 796 HB3 A ASP A 28 ? 39.06970 30.24744 -8.30642 0.242 14.66058 H ? A ? 28 HB3 1
   ATOM 797 N C ASP A 28 ? 41.23071 31.00521 -9.54295 0.247 8.41742 N ? A ? 28 N 1
   ATOM 798 CA C ASP A 28 ? 39.94883 31.69717 -9.56654 0.247 11.26879 C ? A ? 28 CA 1
   ATOM 799 C C ASP A 28 ? 40.14329 33.21313 -9.50805 0.247 13.02252 C ? A ? 28 C 1
   ATOM 800 O C ASP A 28 ? 41.26899 33.73553 -9.48267 0.247 14.09814 O ? A ? 28 O 1
   ATOM 801 CB C ASP A 28 ? 38.99014 31.19609 -8.46571 0.247 12.32665 C ? A ? 28 CB 1
   ATOM 802 CG C ASP A 28 ? 39.32685 31.68928 -7.05731 0.247 11.91840 C ? A ? 28 CG 1
   ATOM 803 OD1 C ASP A 28 ? 40.21442 32.54486 -6.86540 0.247 9.42433 O ? A ? 28 OD1 1
   ATOM 804 OD2 C ASP A 28 ? 38.62388 31.25758 -6.10967 0.247 12.90281 O ? A ? 28 OD2 1
   ATOM 805 H C ASP A 28 ? 41.39046 30.61320 -8.79435 0.247 10.10091 H ? A ? 28 H 1
   ATOM 806 HA C ASP A 28 ? 39.52573 31.48537 -10.41331 0.247 13.52255 H ? A ? 28 HA 1
   ATOM 807 HB2 C ASP A 28 ? 38.09306 31.49986 -8.67515 0.247 14.79198 H ? A ? 28 HB2 1
   ATOM 808 HB3 C ASP A 28 ? 39.01693 30.22658 -8.45015 0.247 14.79198 H ? A ? 28 HB3 1
   ATOM 809 N D ASP A 28 ? 41.14162 30.86832 -9.29607 0.511 7.05818 N ? A ? 28 N 1
   ATOM 810 CA D ASP A 28 ? 39.80274 31.43617 -9.31989 0.511 9.00281 C ? A ? 28 CA 1
   ATOM 811 C D ASP A 28 ? 39.91949 32.97179 -9.27484 0.511 10.19386 C ? A ? 28 C 1
   ATOM 812 O D ASP A 28 ? 41.00958 33.53654 -9.30710 0.511 10.82607 O ? A ? 28 O 1
   ATOM 813 CB D ASP A 28 ? 38.95132 30.66248 -8.30798 0.511 13.70224 C ? A ? 28 CB 1
   ATOM 814 CG D ASP A 28 ? 39.29442 30.94231 -6.87592 0.511 11.12907 C ? A ? 28 CG 1
   ATOM 815 OD1 D ASP A 28 ? 39.88271 31.99040 -6.57841 0.511 10.82629 O ? A ? 28 OD1 1
   ATOM 816 OD2 D ASP A 28 ? 38.88865 30.09961 -6.04787 0.511 13.05367 O ? A ? 28 OD2 1
   ATOM 817 H D ASP A 28 ? 41.40219 30.59108 -8.52481 0.511 8.46982 H ? A ? 28 H 1
   ATOM 818 HA D ASP A 28 ? 39.29760 31.31636 -10.13927 0.511 10.80337 H ? A ? 28 HA 1
   ATOM 819 HB2 D ASP A 28 ? 38.02018 30.90060 -8.43904 0.511 16.44269 H ? A ? 28 HB2 1
   ATOM 820 HB3 D ASP A 28 ? 39.07533 29.71247 -8.45968 0.511 16.44269 H ? A ? 28 HB3 1
   ATOM 821 N A GLU A 29 ? 39.00586 33.91895 -9.49258 0.242 18.26117 N ? A ? 29 N 1
   ATOM 822 CA A GLU A 29 ? 39.02539 35.37408 -9.46171 0.242 21.91899 C ? A ? 29 CA 1
   ATOM 823 C A GLU A 29 ? 39.62021 35.89056 -8.16181 0.242 20.33934 C ? A ? 29 C 1
   ATOM 824 O A GLU A 29 ? 40.16010 37.00151 -8.13334 0.242 22.30123 O ? A ? 29 O 1
   ATOM 825 CB A GLU A 29 ? 37.61247 35.94300 -9.63754 0.242 25.99119 C ? A ? 29 CB 1
   ATOM 826 CG A GLU A 29 ? 36.76126 35.99337 -8.35308 0.242 29.81883 C ? A ? 29 CG 1
   ATOM 827 CD A GLU A 29 ? 35.29550 36.36362 -8.62489 0.242 32.97900 C ? A ? 29 CD 1
   ATOM 828 OE1 A GLU A 29 ? 35.04548 37.21055 -9.51664 0.242 34.59226 O ? A ? 29 OE1 1
   ATOM 829 OE2 A GLU A 29 ? 34.39657 35.79955 -7.96894 0.242 34.29518 O ? A ? 29 OE2 1
   ATOM 830 H A GLU A 29 ? 38.21713 33.57673 -9.51220 0.242 21.91340 H ? A ? 29 H 1
   ATOM 831 HA A GLU A 29 ? 39.56768 35.68394 -10.20387 0.242 26.30279 H ? A ? 29 HA 1
   ATOM 832 HB2 A GLU A 29 ? 37.68710 36.85051 -9.97185 0.242 31.18943 H ? A ? 29 HB2 1
   ATOM 833 HB3 A GLU A 29 ? 37.13772 35.39125 -10.27870 0.242 31.18943 H ? A ? 29 HB3 1
   ATOM 834 HG2 A GLU A 29 ? 36.77650 35.12088 -7.92949 0.242 35.78260 H ? A ? 29 HG2 1
   ATOM 835 HG3 A GLU A 29 ? 37.13262 36.65962 -7.75383 0.242 35.78260 H ? A ? 29 HG3 1
   ATOM 836 N C GLU A 29 ? 39.00210 33.91951 -9.49455 0.247 18.28114 N ? A ? 29 N 1
   ATOM 837 CA C GLU A 29 ? 39.02210 35.37489 -9.46145 0.247 21.93560 C ? A ? 29 CA 1
   ATOM 838 C C GLU A 29 ? 39.62419 35.89154 -8.16416 0.247 20.35790 C ? A ? 29 C 1
   ATOM 839 O C GLU A 29 ? 40.16438 37.00292 -8.14216 0.247 22.29255 O ? A ? 29 O 1
   ATOM 840 CB C GLU A 29 ? 37.60933 35.94705 -9.63083 0.247 26.00475 C ? A ? 29 CB 1
   ATOM 841 CG C GLU A 29 ? 36.76230 35.99023 -8.34452 0.247 29.79923 C ? A ? 29 CG 1
   ATOM 842 CD C GLU A 29 ? 35.29760 36.36682 -8.60944 0.247 32.94168 C ? A ? 29 CD 1
   ATOM 843 OE1 C GLU A 29 ? 35.04721 37.21678 -9.49803 0.247 34.49690 O ? A ? 29 OE1 1
   ATOM 844 OE2 C GLU A 29 ? 34.40013 35.80470 -7.95115 0.247 34.25615 O ? A ? 29 OE2 1
   ATOM 845 H C GLU A 29 ? 38.21347 33.57663 -9.50409 0.247 21.93737 H ? A ? 29 H 1
   ATOM 846 HA C GLU A 29 ? 39.56079 35.68403 -10.20653 0.247 26.32272 H ? A ? 29 HA 1
   ATOM 847 HB2 C GLU A 29 ? 37.68441 36.85654 -9.95959 0.247 31.20570 H ? A ? 29 HB2 1
   ATOM 848 HB3 C GLU A 29 ? 37.13226 35.40001 -10.27429 0.247 31.20570 H ? A ? 29 HB3 1
   ATOM 849 HG2 C GLU A 29 ? 36.77602 35.11450 -7.92760 0.247 35.75908 H ? A ? 29 HG2 1
   ATOM 850 HG3 C GLU A 29 ? 37.13731 36.65078 -7.74126 0.247 35.75908 H ? A ? 29 HG3 1
   ATOM 851 N D GLU A 29 ? 38.80449 33.69763 -9.19771 0.511 16.46254 N ? A ? 29 N 1
   ATOM 852 CA D GLU A 29 ? 38.91574 35.14315 -9.41967 0.511 21.30512 C ? A ? 29 CA 1
   ATOM 853 C D GLU A 29 ? 39.72836 35.87773 -8.33997 0.511 19.53008 C ? A ? 29 C 1
   ATOM 854 O D GLU A 29 ? 40.20344 36.99384 -8.59247 0.511 22.43271 O ? A ? 29 O 1
   ATOM 855 CB D GLU A 29 ? 37.54358 35.79843 -9.61440 0.511 25.78781 C ? A ? 29 CB 1
   ATOM 856 CG D GLU A 29 ? 36.72471 36.01749 -8.34813 0.511 30.05018 C ? A ? 29 CG 1
   ATOM 857 CD D GLU A 29 ? 35.25021 36.34087 -8.66517 0.511 33.26441 C ? A ? 29 CD 1
   ATOM 858 OE1 D GLU A 29 ? 34.99966 37.13414 -9.60874 0.511 35.46540 O ? A ? 29 OE1 1
   ATOM 859 OE2 D GLU A 29 ? 34.35193 35.77479 -8.00842 0.511 34.71203 O ? A ? 29 OE2 1
   ATOM 860 H D GLU A 29 ? 38.01654 33.39749 -9.02842 0.511 19.75504 H ? A ? 29 H 1
   ATOM 861 HA D GLU A 29 ? 39.39528 35.26022 -10.25468 0.511 25.56615 H ? A ? 29 HA 1
   ATOM 862 HB2 D GLU A 29 ? 37.67776 36.66774 -10.02330 0.511 30.94537 H ? A ? 29 HB2 1
   ATOM 863 HB3 D GLU A 29 ? 37.01797 35.23308 -10.20178 0.511 30.94537 H ? A ? 29 HB3 1
   ATOM 864 HG2 D GLU A 29 ? 36.74952 35.21191 -7.80840 0.511 36.06021 H ? A ? 29 HG2 1
   ATOM 865 HG3 D GLU A 29 ? 37.09853 36.76168 -7.85081 0.511 36.06021 H ? A ? 29 HG3 1
   ATOM 866 N A ASP A 30 ? 39.51372 35.11397 -7.07292 0.242 19.18694 N ? A ? 30 N 1
   ATOM 867 CA A ASP A 30 ? 40.10844 35.47484 -5.79296 0.242 18.83283 C ? A ? 30 CA 1
   ATOM 868 C A ASP A 30 ? 41.57160 35.07659 -5.66764 0.242 15.77901 C ? A ? 30 C 1
   ATOM 869 O A ASP A 30 ? 42.15813 35.28393 -4.59873 0.242 15.17696 O ? A ? 30 O 1
   ATOM 870 CB A ASP A 30 ? 39.35461 34.81816 -4.63229 0.242 19.10774 C ? A ? 30 CB 1
   ATOM 871 CG A ASP A 30 ? 37.92926 35.30666 -4.51996 0.242 21.53955 C ? A ? 30 CG 1
   ATOM 872 OD1 A ASP A 30 ? 37.66384 36.44954 -4.92236 0.242 22.49146 O ? A ? 30 OD1 1
   ATOM 873 OD2 A ASP A 30 ? 37.05885 34.56229 -4.03725 0.242 21.66646 O ? A ? 30 OD2 1
   ATOM 874 H A ASP A 30 ? 39.09424 34.36338 -7.05733 0.242 23.02432 H ? A ? 30 H 1
   ATOM 875 HA A ASP A 30 ? 40.03297 36.43866 -5.71396 0.242 22.59939 H ? A ? 30 HA 1
   ATOM 876 HB2 A ASP A 30 ? 39.33405 33.85821 -4.77004 0.242 22.92929 H ? A ? 30 HB2 1
   ATOM 877 HB3 A ASP A 30 ? 39.81008 35.02436 -3.80108 0.242 22.92929 H ? A ? 30 HB3 1
   ATOM 878 N C ASP A 30 ? 39.52479 35.11660 -7.07579 0.247 19.19379 N ? A ? 30 N 1
   ATOM 879 CA C ASP A 30 ? 40.12038 35.48589 -5.79886 0.247 18.83705 C ? A ? 30 CA 1
   ATOM 880 C C ASP A 30 ? 41.58204 35.08384 -5.67248 0.247 15.78054 C ? A ? 30 C 1
   ATOM 881 O C ASP A 30 ? 42.16932 35.29358 -4.60460 0.247 15.20435 O ? A ? 30 O 1
   ATOM 882 CB C ASP A 30 ? 39.35877 34.84560 -4.63444 0.247 19.11248 C ? A ? 30 CB 1
   ATOM 883 CG C ASP A 30 ? 37.93613 35.34874 -4.52746 0.247 21.50338 C ? A ? 30 CG 1
   ATOM 884 OD1 C ASP A 30 ? 37.67868 36.49046 -4.94210 0.247 22.43648 O ? A ? 30 OD1 1
   ATOM 885 OD2 C ASP A 30 ? 37.06263 34.61521 -4.03378 0.247 21.62196 O ? A ? 30 OD2 1
   ATOM 886 H C ASP A 30 ? 39.11054 34.36316 -7.05786 0.247 23.03254 H ? A ? 30 H 1
   ATOM 887 HA C ASP A 30 ? 40.05137 36.45062 -5.72506 0.247 22.60446 H ? A ? 30 HA 1
   ATOM 888 HB2 C ASP A 30 ? 39.32938 33.88485 -4.76478 0.247 22.93498 H ? A ? 30 HB2 1
   ATOM 889 HB3 C ASP A 30 ? 39.81508 35.05396 -3.80422 0.247 22.93498 H ? A ? 30 HB3 1
   ATOM 890 N D ASP A 30 ? 39.92071 35.27614 -7.16475 0.511 15.26290 N ? A ? 30 N 1
   ATOM 891 CA D ASP A 30 ? 40.68940 35.85752 -6.06929 0.511 17.51609 C ? A ? 30 CA 1
   ATOM 892 C D ASP A 30 ? 42.09309 35.28043 -5.92706 0.511 13.01642 C ? A ? 30 C 1
   ATOM 893 O D ASP A 30 ? 42.75661 35.53145 -4.91283 0.511 11.43239 O ? A ? 30 O 1
   ATOM 894 CB D ASP A 30 ? 39.94504 35.63435 -4.76026 0.511 16.36700 C ? A ? 30 CB 1
   ATOM 895 CG D ASP A 30 ? 38.60132 36.29166 -4.75938 0.511 22.16782 C ? A ? 30 CG 1
   ATOM 896 OD1 D ASP A 30 ? 38.54488 37.42461 -5.29619 0.511 23.61069 O ? A ? 30 OD1 1
   ATOM 897 OD2 D ASP A 30 ? 37.62847 35.66649 -4.26991 0.511 22.61029 O ? A ? 30 OD2 1
   ATOM 898 H D ASP A 30 ? 39.60245 34.50051 -6.97313 0.511 18.31548 H ? A ? 30 H 1
   ATOM 899 HA D ASP A 30 ? 40.77793 36.80740 -6.24477 0.511 21.01931 H ? A ? 30 HA 1
   ATOM 900 HB2 D ASP A 30 ? 39.81676 34.68248 -4.62470 0.511 19.64040 H ? A ? 30 HB2 1
   ATOM 901 HB3 D ASP A 30 ? 40.46473 36.00631 -4.03055 0.511 19.64040 H ? A ? 30 HB3 1
   ATOM 902 N A GLY A 31 ? 42.15642 34.48702 -6.70774 0.242 11.57859 N ? A ? 31 N 1
   ATOM 903 CA A GLY A 31 ? 43.56799 34.15274 -6.71824 0.242 11.49873 C ? A ? 31 CA 1
   ATOM 904 C A GLY A 31 ? 43.89284 32.77959 -6.18082 0.242 7.96975 C ? A ? 31 C 1
   ATOM 905 O A GLY A 31 ? 45.06478 32.38438 -6.18341 0.242 9.45491 O ? A ? 31 O 1
   ATOM 906 H A GLY A 31 ? 41.74493 34.26834 -7.43055 0.242 13.89431 H ? A ? 31 H 1
   ATOM 907 HA2 A GLY A 31 ? 43.89225 34.19864 -7.63129 0.242 13.79848 H ? A ? 31 HA2 1
   ATOM 908 HA3 A GLY A 31 ? 44.04616 34.80297 -6.18024 0.242 13.79848 H ? A ? 31 HA3 1
   ATOM 909 N C GLY A 31 ? 42.16456 34.49047 -6.71155 0.247 11.62296 N ? A ? 31 N 1
   ATOM 910 CA C GLY A 31 ? 43.57557 34.15043 -6.72078 0.247 11.50248 C ? A ? 31 CA 1
   ATOM 911 C C GLY A 31 ? 43.89575 32.77864 -6.17520 0.247 7.96738 C ? A ? 31 C 1
   ATOM 912 O C GLY A 31 ? 45.06704 32.38501 -6.16289 0.247 9.46943 O ? A ? 31 O 1
   ATOM 913 H C GLY A 31 ? 41.75243 34.27241 -7.43418 0.247 13.94755 H ? A ? 31 H 1
   ATOM 914 HA2 C GLY A 31 ? 43.89949 34.18970 -7.63425 0.247 13.80298 H ? A ? 31 HA2 1
   ATOM 915 HA3 C GLY A 31 ? 44.05652 34.80200 -6.18688 0.247 13.80298 H ? A ? 31 HA3 1
   ATOM 916 N D GLY A 31 ? 42.57910 34.56634 -6.93743 0.511 9.06073 N ? A ? 31 N 1
   ATOM 917 CA D GLY A 31 ? 43.90260 34.00444 -6.90801 0.511 8.84461 C ? A ? 31 CA 1
   ATOM 918 C D GLY A 31 ? 44.00944 32.68592 -6.16667 0.511 7.37302 C ? A ? 31 C 1
   ATOM 919 O D GLY A 31 ? 45.13308 32.21412 -5.96851 0.511 7.60591 O ? A ? 31 O 1
   ATOM 920 H D GLY A 31 ? 42.14604 34.39545 -7.66053 0.511 10.87287 H ? A ? 31 H 1
   ATOM 921 HA2 D GLY A 31 ? 44.19971 33.85800 -7.81970 0.511 10.61354 H ? A ? 31 HA2 1
   ATOM 922 HA3 D GLY A 31 ? 44.50035 34.63634 -6.47871 0.511 10.61354 H ? A ? 31 HA3 1
   ATOM 923 N . ILE A 32 ? 42.89033 32.06418 -5.70907 1.000 7.88626 N ? A ? 32 N 1
   ATOM 924 CA . ILE A 32 ? 43.04537 30.75024 -5.10367 1.000 6.94993 C ? A ? 32 CA 1
   ATOM 925 C . ILE A 32 ? 43.28372 29.72624 -6.19619 1.000 6.17796 C ? A ? 32 C 1
   ATOM 926 O . ILE A 32 ? 42.52017 29.65532 -7.17321 1.000 7.07096 O ? A ? 32 O 1
   ATOM 927 HA . ILE A 32 ? 43.83123 30.76715 -4.53531 1.000 8.33992 H ? A ? 32 HA 1
   ATOM 928 CB A ILE A 32 ? 41.84416 30.39399 -4.19904 0.327 8.20281 C ? A ? 32 CB 1
   ATOM 929 CG1 A ILE A 32 ? 41.55709 31.58029 -3.28359 0.327 8.80127 C ? A ? 32 CG1 1
   ATOM 930 CG2 A ILE A 32 ? 42.09264 29.05566 -3.50743 0.327 9.52487 C ? A ? 32 CG2 1
   ATOM 931 CD1 A ILE A 32 ? 42.77999 32.05939 -2.50755 0.327 12.29563 C ? A ? 32 CD1 1
   ATOM 932 H A ILE A 32 ? 42.07142 32.32626 -5.72678 0.242 9.46351 H ? A ? 32 H 1
   ATOM 933 HB A ILE A 32 ? 41.03067 30.25313 -4.70825 0.327 9.84337 H ? A ? 32 HB 1
   ATOM 934 HG12 A ILE A 32 ? 41.23792 32.32116 -3.82223 0.327 10.56152 H ? A ? 32 HG12 1
   ATOM 935 HG13 A ILE A 32 ? 40.87908 31.32187 -2.63983 0.327 10.56152 H ? A ? 32 HG13 1
   ATOM 936 HG21 A ILE A 32 ? 41.41993 28.92528 -2.82087 0.327 11.42985 H ? A ? 32 HG21 1
   ATOM 937 HG22 A ILE A 32 ? 42.03605 28.34497 -4.16517 0.327 11.42985 H ? A ? 32 HG22 1
   ATOM 938 HG23 A ILE A 32 ? 42.97611 29.06628 -3.10711 0.327 11.42985 H ? A ? 32 HG23 1
   ATOM 939 HD11 A ILE A 32 ? 42.49101 32.65724 -1.80047 0.327 14.75475 H ? A ? 32 HD11 1
   ATOM 940 HD12 A ILE A 32 ? 43.23314 31.29105 -2.12648 0.327 14.75475 H ? A ? 32 HD12 1
   ATOM 941 HD13 A ILE A 32 ? 43.37527 32.52742 -3.11376 0.327 14.75475 H ? A ? 32 HD13 1
   ATOM 942 CB B ILE A 32 ? 41.81840 30.36398 -4.19405 0.673 8.05162 C ? A ? 32 CB 1
   ATOM 943 CG1 B ILE A 32 ? 41.64993 31.38969 -3.10005 0.673 9.35927 C ? A ? 32 CG1 1
   ATOM 944 CG2 B ILE A 32 ? 41.94758 28.95422 -3.80337 0.673 9.12417 C ? A ? 32 CG2 1
   ATOM 945 CD1 B ILE A 32 ? 42.66064 31.26604 -1.98520 0.673 9.93218 C ? A ? 32 CD1 1
   ATOM 946 HB B ILE A 32 ? 40.96971 30.40547 -4.66194 0.673 9.66195 H ? A ? 32 HB 1
   ATOM 947 HG12 B ILE A 32 ? 41.74254 32.27474 -3.48607 0.673 11.23113 H ? A ? 32 HG12 1
   ATOM 948 HG13 B ILE A 32 ? 40.76712 31.28807 -2.71119 0.673 11.23113 H ? A ? 32 HG13 1
   ATOM 949 HG21 B ILE A 32 ? 41.39517 28.79089 -3.02294 0.673 10.94900 H ? A ? 32 HG21 1
   ATOM 950 HG22 B ILE A 32 ? 41.65429 28.39443 -4.53924 0.673 10.94900 H ? A ? 32 HG22 1
   ATOM 951 HG23 B ILE A 32 ? 42.87663 28.76787 -3.59588 0.673 10.94900 H ? A ? 32 HG23 1
   ATOM 952 HD11 B ILE A 32 ? 42.47372 31.94019 -1.31327 0.673 11.91862 H ? A ? 32 HD11 1
   ATOM 953 HD12 B ILE A 32 ? 42.59246 30.38112 -1.59384 0.673 11.91862 H ? A ? 32 HD12 1
   ATOM 954 HD13 B ILE A 32 ? 43.54994 31.39923 -2.34896 0.673 11.91862 H ? A ? 32 HD13 1
   ATOM 955 H C ILE A 32 ? 42.07146 32.32609 -5.73072 0.247 9.46351 H ? A ? 32 H 1
   ATOM 956 H D ILE A 32 ? 42.08993 32.37688 -5.74358 0.511 9.46351 H ? A ? 32 H 1
   ATOM 957 N . ALA A 33 ? 44.33814 28.92273 -6.06923 1.000 5.43641 N ? A ? 33 N 1
   ATOM 958 CA . ALA A 33 ? 44.69398 27.95921 -7.09613 1.000 5.26070 C ? A ? 33 CA 1
   ATOM 959 C . ALA A 33 ? 43.72892 26.76679 -7.12441 1.000 5.24039 C ? A ? 33 C 1
   ATOM 960 O . ALA A 33 ? 43.07625 26.41221 -6.13567 1.000 6.25985 O ? A ? 33 O 1
   ATOM 961 CB . ALA A 33 ? 46.13389 27.47638 -6.87792 1.000 6.16473 C ? A ? 33 CB 1
   ATOM 962 H . ALA A 33 ? 44.86605 28.91869 -5.39034 1.000 6.52369 H ? A ? 33 H 1
   ATOM 963 HA . ALA A 33 ? 44.63463 28.38603 -7.96515 1.000 6.31283 H ? A ? 33 HA 1
   ATOM 964 HB1 . ALA A 33 ? 46.36225 26.83968 -7.57316 1.000 7.39767 H ? A ? 33 HB1 1
   ATOM 965 HB2 . ALA A 33 ? 46.73216 28.23885 -6.91818 1.000 7.39767 H ? A ? 33 HB2 1
   ATOM 966 HB3 . ALA A 33 ? 46.19638 27.05249 -6.00768 1.000 7.39767 H ? A ? 33 HB3 1
   ATOM 967 N . TYR A 34 ? 43.73471 26.11341 -8.30741 1.000 4.94169 N ? A ? 34 N 1
   ATOM 968 CA . TYR A 34 ? 42.99463 24.88478 -8.49754 1.000 5.39135 C ? A ? 34 CA 1
   ATOM 969 C . TYR A 34 ? 43.62282 24.13008 -9.66124 1.000 4.65166 C ? A ? 34 C 1
   ATOM 970 O . TYR A 34 ? 44.30733 24.71944 -10.50812 1.000 5.38108 O ? A ? 34 O 1
   ATOM 971 CB . TYR A 34 ? 41.50474 25.16551 -8.74729 1.000 5.97184 C ? A ? 34 CB 1
   ATOM 972 CG . TYR A 34 ? 41.14486 25.68806 -10.12709 1.000 6.63924 C ? A ? 34 CG 1
   ATOM 973 CD1 . TYR A 34 ? 41.33537 27.00468 -10.42804 1.000 7.54272 C ? A ? 34 CD1 1
   ATOM 974 CD2 . TYR A 34 ? 40.67539 24.83529 -11.09121 1.000 7.17840 C ? A ? 34 CD2 1
   ATOM 975 CE1 . TYR A 34 ? 41.03948 27.48860 -11.73440 1.000 7.68537 C ? A ? 34 CE1 1
   ATOM 976 CE2 . TYR A 34 ? 40.35633 25.28824 -12.33630 1.000 7.78553 C ? A ? 34 CE2 1
   ATOM 977 CZ . TYR A 34 ? 40.56965 26.61486 -12.68084 1.000 7.93615 C ? A ? 34 CZ 1
   ATOM 978 OH . TYR A 34 ? 40.24705 27.09438 -13.94714 1.000 9.82433 O ? A ? 34 OH 1
   ATOM 979 H . TYR A 34 ? 44.16482 26.37537 -9.00453 1.000 5.93003 H ? A ? 34 H 1
   ATOM 980 HA . TYR A 34 ? 43.06080 24.32710 -7.70664 1.000 6.46962 H ? A ? 34 HA 1
   ATOM 981 HB2 . TYR A 34 ? 41.01510 24.33817 -8.61821 1.000 7.16620 H ? A ? 34 HB2 1
   ATOM 982 HB3 . TYR A 34 ? 41.20992 25.82927 -8.10432 1.000 7.16620 H ? A ? 34 HB3 1
   ATOM 983 HD1 . TYR A 34 ? 41.65892 27.58720 -9.77929 1.000 9.05127 H ? A ? 34 HD1 1
   ATOM 984 HD2 . TYR A 34 ? 40.57277 23.93254 -10.89271 1.000 8.61408 H ? A ? 34 HD2 1
   ATOM 985 HE1 . TYR A 34 ? 41.16344 28.38639 -11.94297 1.000 9.22244 H ? A ? 34 HE1 1
   ATOM 986 HE2 . TYR A 34 ? 39.99236 24.70274 -12.96050 1.000 9.34264 H ? A ? 34 HE2 1
   ATOM 987 HH . TYR A 34 ? 40.64521 26.64494 -14.53457 1.000 11.78919 H ? A ? 34 HH 1
   ATOM 988 N . VAL A 35 ? 43.37373 22.84409 -9.72279 1.000 4.42854 N ? A ? 35 N 1
   ATOM 989 CA . VAL A 35 ? 43.90406 21.99814 -10.78256 1.000 4.16776 C ? A ? 35 CA 1
   ATOM 990 C . VAL A 35 ? 42.95500 22.00763 -11.98222 1.000 4.56130 C ? A ? 35 C 1
   ATOM 991 O . VAL A 35 ? 41.79594 21.55260 -11.91549 1.000 5.13300 O ? A ? 35 O 1
   ATOM 992 CB . VAL A 35 ? 44.16030 20.57775 -10.27169 1.000 4.30371 C ? A ? 35 CB 1
   ATOM 993 CG1 . VAL A 35 ? 44.55717 19.63335 -11.41752 1.000 4.47206 C ? A ? 35 CG1 1
   ATOM 994 CG2 . VAL A 35 ? 45.27096 20.61366 -9.23148 1.000 4.54714 C ? A ? 35 CG2 1
   ATOM 995 H . VAL A 35 ? 42.88931 22.42045 -9.15228 1.000 5.31425 H ? A ? 35 H 1
   ATOM 996 HA . VAL A 35 ? 44.74428 22.37360 -11.08909 1.000 5.00131 H ? A ? 35 HA 1
   ATOM 997 HB . VAL A 35 ? 43.34383 20.23577 -9.87505 1.000 5.16445 H ? A ? 35 HB 1
   ATOM 998 HG11 . VAL A 35 ? 44.88328 18.80063 -11.04184 1.000 5.36647 H ? A ? 35 HG11 1
   ATOM 999 HG12 . VAL A 35 ? 43.77890 19.46408 -11.97118 1.000 5.36647 H ? A ? 35 HG12 1
   ATOM 1000 HG13 . VAL A 35 ? 45.25396 20.05319 -11.94583 1.000 5.36647 H ? A ? 35 HG13 1
   ATOM 1001 HG21 . VAL A 35 ? 45.45198 19.70917 -8.93142 1.000 5.45657 H ? A ? 35 HG21 1
   ATOM 1002 HG22 . VAL A 35 ? 46.06754 20.99460 -9.63305 1.000 5.45657 H ? A ? 35 HG22 1
   ATOM 1003 HG23 . VAL A 35 ? 44.98467 21.15956 -8.48253 1.000 5.45657 H ? A ? 35 HG23 1
   ATOM 1004 N . THR A 36 ? 43.45879 22.49835 -13.11793 1.000 4.82964 N ? A ? 36 N 1
   ATOM 1005 CA . THR A 36 ? 42.65237 22.62300 -14.31627 1.000 5.30181 C ? A ? 36 CA 1
   ATOM 1006 C . THR A 36 ? 42.40379 21.27012 -15.01328 1.000 4.74013 C ? A ? 36 C 1
   ATOM 1007 O . THR A 36 ? 41.50158 21.16983 -15.85613 1.000 5.62191 O ? A ? 36 O 1
   ATOM 1008 CB . THR A 36 ? 43.26677 23.62183 -15.28259 1.000 6.38137 C ? A ? 36 CB 1
   ATOM 1009 OG1 . THR A 36 ? 44.60347 23.28495 -15.56716 1.000 7.35241 O ? A ? 36 OG1 1
   ATOM 1010 CG2 . THR A 36 ? 43.25450 25.02964 -14.70686 1.000 7.84019 C ? A ? 36 CG2 1
   ATOM 1011 H . THR A 36 ? 44.27056 22.76573 -13.21355 1.000 5.79556 H ? A ? 36 H 1
   ATOM 1012 HA . THR A 36 ? 41.78580 22.97970 -14.06580 1.000 6.36218 H ? A ? 36 HA 1
   ATOM 1013 HB . THR A 36 ? 42.73993 23.60401 -16.09685 1.000 7.65765 H ? A ? 36 HB 1
   ATOM 1014 HG1 . THR A 36 ? 45.05691 23.28646 -14.86006 1.000 8.82290 H ? A ? 36 HG1 1
   ATOM 1015 HG21 . THR A 36 ? 43.62060 25.65499 -15.35170 1.000 9.40823 H ? A ? 36 HG21 1
   ATOM 1016 HG22 . THR A 36 ? 42.34557 25.29307 -14.49391 1.000 9.40823 H ? A ? 36 HG22 1
   ATOM 1017 HG23 . THR A 36 ? 43.78929 25.06207 -13.89825 1.000 9.40823 H ? A ? 36 HG23 1
   ATOM 1018 N . LEU A 37 ? 43.24949 20.26081 -14.73648 1.000 4.79487 N ? A ? 37 N 1
   ATOM 1019 CA . LEU A 37 ? 43.07550 18.96835 -15.38070 1.000 4.95432 C ? A ? 37 CA 1
   ATOM 1020 C . LEU A 37 ? 41.70566 18.38249 -15.15738 1.000 4.62297 C ? A ? 37 C 1
   ATOM 1021 O . LEU A 37 ? 41.22328 17.58789 -15.97510 1.000 5.22647 O ? A ? 37 O 1
   ATOM 1022 CB . LEU A 37 ? 44.13521 17.97504 -14.86964 1.000 4.94188 C ? A ? 37 CB 1
   ATOM 1023 CG . LEU A 37 ? 45.60239 18.25375 -15.15389 1.000 6.48244 C ? A ? 37 CG 1
   ATOM 1024 CD1 . LEU A 37 ? 46.47183 17.30078 -14.33099 1.000 7.70958 C ? A ? 37 CD1 1
   ATOM 1025 CD2 . LEU A 37 ? 45.89557 18.07923 -16.61159 1.000 9.35290 C ? A ? 37 CD2 1
   ATOM 1026 H . LEU A 37 ? 43.91302 20.30679 -14.19130 1.000 5.75384 H ? A ? 37 H 1
   ATOM 1027 HA . LEU A 37 ? 43.19287 19.10193 -16.33426 1.000 5.94518 H ? A ? 37 HA 1
   ATOM 1028 HB2 . LEU A 37 ? 44.04699 17.92657 -13.90487 1.000 5.93025 H ? A ? 37 HB2 1
   ATOM 1029 HB3 . LEU A 37 ? 43.93845 17.11120 -15.26458 1.000 5.93025 H ? A ? 37 HB3 1
   ATOM 1030 HG . LEU A 37 ? 45.81112 19.16893 -14.90940 1.000 7.77893 H ? A ? 37 HG 1
   ATOM 1031 HD11 . LEU A 37 ? 47.40596 17.50173 -14.49804 1.000 9.25150 H ? A ? 37 HD11 1
   ATOM 1032 HD12 . LEU A 37 ? 46.27043 17.42255 -13.38998 1.000 9.25150 H ? A ? 37 HD12 1
   ATOM 1033 HD13 . LEU A 37 ? 46.27742 16.38800 -14.59544 1.000 9.25150 H ? A ? 37 HD13 1
   ATOM 1034 HD21 . LEU A 37 ? 46.83840 18.24662 -16.76634 1.000 11.22347 H ? A ? 37 HD21 1
   ATOM 1035 HD22 . LEU A 37 ? 45.67369 17.17153 -16.87189 1.000 11.22347 H ? A ? 37 HD22 1
   ATOM 1036 HD23 . LEU A 37 ? 45.36015 18.70911 -17.11902 1.000 11.22347 H ? A ? 37 HD23 1
   ATOM 1037 N . ASP A 38 ? 41.09798 18.69497 -13.99406 1.000 4.78073 N ? A ? 38 N 1
   ATOM 1038 CA . ASP A 38 ? 39.92656 17.95947 -13.50015 1.000 4.68906 C ? A ? 38 CA 1
   ATOM 1039 C . ASP A 38 ? 39.09310 18.81438 -12.54490 1.000 4.82969 C ? A ? 38 C 1
   ATOM 1040 O . ASP A 38 ? 38.34921 18.26880 -11.71325 1.000 5.35710 O ? A ? 38 O 1
   ATOM 1041 CB . ASP A 38 ? 40.35732 16.63715 -12.88459 1.000 4.97991 C ? A ? 38 CB 1
   ATOM 1042 CG . ASP A 38 ? 41.34229 16.81746 -11.76485 1.000 4.85179 C ? A ? 38 CG 1
   ATOM 1043 OD1 . ASP A 38 ? 41.53445 17.97256 -11.31745 1.000 5.39786 O ? A ? 38 OD1 1
   ATOM 1044 OD2 . ASP A 38 ? 41.97876 15.78585 -11.35492 1.000 5.12588 O ? A ? 38 OD2 1
   ATOM 1045 H . ASP A 38 ? 41.34992 19.33212 -13.47427 1.000 5.73688 H ? A ? 38 H 1
   ATOM 1046 HA . ASP A 38 ? 39.33975 17.74415 -14.24190 1.000 5.62687 H ? A ? 38 HA 1
   ATOM 1047 HB2 . ASP A 38 ? 39.57695 16.18394 -12.52888 1.000 5.97589 H ? A ? 38 HB2 1
   ATOM 1048 HB3 . ASP A 38 ? 40.77553 16.09058 -13.56816 1.000 5.97589 H ? A ? 38 HB3 1
   ATOM 1049 N . ASP A 39 ? 39.15499 20.12051 -12.68430 1.000 5.00931 N ? A ? 39 N 1
   ATOM 1050 CA . ASP A 39 ? 38.34439 21.04124 -11.85014 1.000 5.50806 C ? A ? 39 CA 1
   ATOM 1051 C . ASP A 39 ? 38.55504 20.75027 -10.35601 1.000 4.85044 C ? A ? 39 C 1
   ATOM 1052 O . ASP A 39 ? 37.63014 20.78468 -9.54972 1.000 6.00389 O ? A ? 39 O 1
   ATOM 1053 CB . ASP A 39 ? 36.87091 20.97678 -12.19868 1.000 6.12594 C ? A ? 39 CB 1
   ATOM 1054 CG . ASP A 39 ? 36.11605 22.21197 -11.73855 1.000 8.33364 C ? A ? 39 CG 1
   ATOM 1055 OD1 . ASP A 39 ? 36.72760 23.26362 -11.46820 1.000 11.58389 O ? A ? 39 OD1 1
   ATOM 1056 OD2 . ASP A 39 ? 34.83758 22.11894 -11.65366 1.000 9.54023 O ? A ? 39 OD2 1
   ATOM 1057 H . ASP A 39 ? 39.65790 20.52128 -13.25532 1.000 6.01117 H ? A ? 39 H 1
   ATOM 1058 HA . ASP A 39 ? 38.64613 21.94485 -12.03276 1.000 6.60967 H ? A ? 39 HA 1
   ATOM 1059 HB2 . ASP A 39 ? 36.77467 20.90513 -13.16123 1.000 7.35112 H ? A ? 39 HB2 1
   ATOM 1060 HB3 . ASP A 39 ? 36.47566 20.20312 -11.76725 1.000 7.35112 H ? A ? 39 HB3 1
   ATOM 1061 N . ASN A 40 ? 39.82486 20.51359 -9.98909 1.000 4.78303 N ? A ? 40 N 1
   ATOM 1062 CA . ASN A 40 ? 40.21480 20.34777 -8.58465 1.000 5.19803 C ? A ? 40 CA 1
   ATOM 1063 C . ASN A 40 ? 39.55072 19.13044 -7.92499 1.000 4.82312 C ? A ? 40 C 1
   ATOM 1064 O . ASN A 40 ? 39.38142 19.14541 -6.70642 1.000 6.27328 O ? A ? 40 O 1
   ATOM 1065 CB . ASN A 40 ? 40.02292 21.59423 -7.71558 1.000 5.36835 C ? A ? 40 CB 1
   ATOM 1066 CG . ASN A 40 ? 41.13534 21.75522 -6.73192 1.000 4.86495 C ? A ? 40 CG 1
   ATOM 1067 OD1 . ASN A 40 ? 42.32419 21.68439 -7.10596 1.000 4.64343 O ? A ? 40 OD1 1
   ATOM 1068 ND2 . ASN A 40 ? 40.80437 21.99613 -5.48204 1.000 6.95229 N ? A ? 40 ND2 1
   ATOM 1069 H . ASN A 40 ? 40.48054 20.44485 -10.54133 1.000 5.73963 H ? A ? 40 H 1
   ATOM 1070 HA . ASN A 40 ? 41.17151 20.18982 -8.61060 1.000 6.23764 H ? A ? 40 HA 1
   ATOM 1071 HB2 . ASN A 40 ? 40.00170 22.38056 -8.28315 1.000 6.44202 H ? A ? 40 HB2 1
   ATOM 1072 HB3 . ASN A 40 ? 39.19019 21.51724 -7.22412 1.000 6.44202 H ? A ? 40 HB3 1
   ATOM 1073 HD21 . ASN A 40 ? 41.41682 22.09489 -4.88643 1.000 8.34274 H ? A ? 40 HD21 1
   ATOM 1074 HD22 . ASN A 40 ? 39.97551 22.05490 -5.26038 1.000 8.34274 H ? A ? 40 HD22 1
   ATOM 1075 N B GLN A 41 ? 39.27541 18.07811 -8.67733 0.441 4.98676 N ? A ? 41 N 1
   ATOM 1076 CA B GLN A 41 ? 38.70445 16.87502 -8.08784 0.441 5.25803 C ? A ? 41 CA 1
   ATOM 1077 C B GLN A 41 ? 39.74396 15.78939 -7.81978 0.441 5.08983 C ? A ? 41 C 1
   ATOM 1078 O B GLN A 41 ? 39.43612 14.81279 -7.11926 0.441 5.51680 O ? A ? 41 O 1
   ATOM 1079 CB B GLN A 41 ? 37.53671 16.39232 -8.94484 0.441 5.65741 C ? A ? 41 CB 1
   ATOM 1080 CG B GLN A 41 ? 36.39216 17.41655 -9.06543 0.441 5.76397 C ? A ? 41 CG 1
   ATOM 1081 CD B GLN A 41 ? 35.98195 17.98371 -7.78042 0.441 7.54431 C ? A ? 41 CD 1
   ATOM 1082 OE1 B GLN A 41 ? 35.56108 17.23140 -6.89525 0.441 10.27992 O ? A ? 41 OE1 1
   ATOM 1083 NE2 B GLN A 41 ? 36.15621 19.28925 -7.59656 0.441 9.33353 N ? A ? 41 NE2 1
   ATOM 1084 H B GLN A 41 ? 39.40856 18.03478 -9.52586 0.442 5.98411 H ? A ? 41 H 1
   ATOM 1085 HA B GLN A 41 ? 38.32160 17.06899 -7.21796 0.442 6.30964 H ? A ? 41 HA 1
   ATOM 1086 HB2 B GLN A 41 ? 37.86244 16.20521 -9.83915 0.442 6.78889 H ? A ? 41 HB2 1
   ATOM 1087 HB3 B GLN A 41 ? 37.17186 15.58539 -8.54905 0.442 6.78889 H ? A ? 41 HB3 1
   ATOM 1088 HG2 B GLN A 41 ? 36.68352 18.14702 -9.63324 0.442 6.91677 H ? A ? 41 HG2 1
   ATOM 1089 HG3 B GLN A 41 ? 35.62006 16.97933 -9.45735 0.442 6.91677 H ? A ? 41 HG3 1
   ATOM 1090 HE21 B GLN A 41 ? 36.49970 19.76948 -8.22186 0.442 11.20024 H ? A ? 41 HE21 1
   ATOM 1091 HE22 B GLN A 41 ? 35.92541 19.65327 -6.85237 0.442 11.20024 H ? A ? 41 HE22 1
   ATOM 1092 N C GLN A 41 ? 39.27843 18.07403 -8.68030 0.132 5.04657 N ? A ? 41 N 1
   ATOM 1093 CA C GLN A 41 ? 38.68232 16.87733 -8.10789 0.132 5.35359 C ? A ? 41 CA 1
   ATOM 1094 C C GLN A 41 ? 39.68585 15.75900 -7.84666 0.132 5.23887 C ? A ? 41 C 1
   ATOM 1095 O C GLN A 41 ? 39.31226 14.75116 -7.23874 0.132 5.87020 O ? A ? 41 O 1
   ATOM 1096 CB C GLN A 41 ? 37.54412 16.38059 -9.00469 0.132 5.83063 C ? A ? 41 CB 1
   ATOM 1097 CG C GLN A 41 ? 36.41455 17.38988 -9.16997 0.132 6.04991 C ? A ? 41 CG 1
   ATOM 1098 CD C GLN A 41 ? 35.96063 17.95902 -7.85971 0.132 7.92928 C ? A ? 41 CD 1
   ATOM 1099 OE1 C GLN A 41 ? 35.48164 17.22705 -6.99822 0.132 9.36327 O ? A ? 41 OE1 1
   ATOM 1100 NE2 C GLN A 41 ? 36.13089 19.26283 -7.67704 0.132 9.25178 N ? A ? 41 NE2 1
   ATOM 1101 H C GLN A 41 ? 39.42990 18.02727 -9.52556 0.132 6.05588 H ? A ? 41 H 1
   ATOM 1102 HA C GLN A 41 ? 38.29376 17.10133 -7.24781 0.132 6.42430 H ? A ? 41 HA 1
   ATOM 1103 HB2 C GLN A 41 ? 37.90158 16.18794 -9.88561 0.132 6.99675 H ? A ? 41 HB2 1
   ATOM 1104 HB3 C GLN A 41 ? 37.16839 15.57533 -8.61574 0.132 6.99675 H ? A ? 41 HB3 1
   ATOM 1105 HG2 C GLN A 41 ? 36.72228 18.12242 -9.72638 0.132 7.25990 H ? A ? 41 HG2 1
   ATOM 1106 HG3 C GLN A 41 ? 35.65623 16.95211 -9.58735 0.132 7.25990 H ? A ? 41 HG3 1
   ATOM 1107 HE21 C GLN A 41 ? 36.48796 19.74080 -8.29643 0.132 11.10214 H ? A ? 41 HE21 1
   ATOM 1108 HE22 C GLN A 41 ? 35.88413 19.62951 -6.93930 0.132 11.10214 H ? A ? 41 HE22 1
   ATOM 1109 N D GLN A 41 ? 39.28429 18.04893 -8.67979 0.427 5.01401 N ? A ? 41 N 1
   ATOM 1110 CA D GLN A 41 ? 38.71675 16.80859 -8.12976 0.427 5.21234 C ? A ? 41 CA 1
   ATOM 1111 C D GLN A 41 ? 39.75992 15.73140 -7.83267 0.427 5.06491 C ? A ? 41 C 1
   ATOM 1112 O D GLN A 41 ? 39.42252 14.69967 -7.21561 0.427 5.95036 O ? A ? 41 O 1
   ATOM 1113 CB D GLN A 41 ? 37.66138 16.22125 -9.07024 0.427 5.70605 C ? A ? 41 CB 1
   ATOM 1114 CG D GLN A 41 ? 36.45513 17.04407 -9.24354 0.427 6.46259 C ? A ? 41 CG 1
   ATOM 1115 CD D GLN A 41 ? 35.79612 17.43277 -7.97739 0.427 6.70807 C ? A ? 41 CD 1
   ATOM 1116 OE1 D GLN A 41 ? 35.67377 18.61714 -7.69838 0.427 12.78918 O ? A ? 41 OE1 1
   ATOM 1117 NE2 D GLN A 41 ? 35.48523 16.51082 -7.15404 0.427 8.08881 N ? A ? 41 NE2 1
   ATOM 1118 H D GLN A 41 ? 39.42682 18.01098 -9.52705 0.427 6.01681 H ? A ? 41 H 1
   ATOM 1119 HA D GLN A 41 ? 38.27754 17.03831 -7.29596 0.427 6.25480 H ? A ? 41 HA 1
   ATOM 1120 HB2 D GLN A 41 ? 38.06180 16.10443 -9.94598 0.427 6.84726 H ? A ? 41 HB2 1
   ATOM 1121 HB3 D GLN A 41 ? 37.37945 15.36290 -8.71718 0.427 6.84726 H ? A ? 41 HB3 1
   ATOM 1122 HG2 D GLN A 41 ? 36.69992 17.85909 -9.70907 0.427 7.75511 H ? A ? 41 HG2 1
   ATOM 1123 HG3 D GLN A 41 ? 35.81080 16.54325 -9.76788 0.427 7.75511 H ? A ? 41 HG3 1
   ATOM 1124 HE21 D GLN A 41 ? 35.65944 15.68987 -7.34187 0.427 9.70658 H ? A ? 41 HE21 1
   ATOM 1125 HE22 D GLN A 41 ? 35.10125 16.70971 -6.41066 0.427 9.70658 H ? A ? 41 HE22 1
   ATOM 1126 N B GLY A 42 ? 40.96061 15.95370 -8.32504 0.441 4.63854 N ? A ? 42 N 1
   ATOM 1127 CA B GLY A 42 ? 41.98982 14.93891 -8.05792 0.441 4.71485 C ? A ? 42 CA 1
   ATOM 1128 C B GLY A 42 ? 41.70468 13.58074 -8.68794 0.441 4.57185 C ? A ? 42 C 1
   ATOM 1129 O B GLY A 42 ? 42.04705 12.54217 -8.08550 0.441 5.10581 O ? A ? 42 O 1
   ATOM 1130 H B GLY A 42 ? 41.21316 16.61803 -8.80929 0.442 5.56625 H ? A ? 42 H 1
   ATOM 1131 HA2 B GLY A 42 ? 42.83943 15.25551 -8.40265 0.442 5.65782 H ? A ? 42 HA2 1
   ATOM 1132 HA3 B GLY A 42 ? 42.06513 14.81336 -7.09904 0.442 5.65782 H ? A ? 42 HA3 1
   ATOM 1133 N C GLY A 42 ? 40.92975 15.89632 -8.29880 0.132 4.70349 N ? A ? 42 N 1
   ATOM 1134 CA C GLY A 42 ? 41.92644 14.86159 -8.06762 0.132 4.83110 C ? A ? 42 CA 1
   ATOM 1135 C C GLY A 42 ? 41.53362 13.50440 -8.62828 0.132 4.90255 C ? A ? 42 C 1
   ATOM 1136 O C GLY A 42 ? 41.51138 12.50179 -7.89222 0.132 5.09784 O ? A ? 42 O 1
   ATOM 1137 H C GLY A 42 ? 41.21771 16.57634 -8.73954 0.132 5.64419 H ? A ? 42 H 1
   ATOM 1138 HA2 C GLY A 42 ? 42.76160 15.12838 -8.48264 0.132 5.79732 H ? A ? 42 HA2 1
   ATOM 1139 HA3 C GLY A 42 ? 42.06544 14.76391 -7.11261 0.132 5.79732 H ? A ? 42 HA3 1
   ATOM 1140 N D GLY A 42 ? 40.98434 15.91696 -8.30797 0.427 4.70697 N ? A ? 42 N 1
   ATOM 1141 CA D GLY A 42 ? 42.02246 14.90721 -8.06963 0.427 4.70016 C ? A ? 42 CA 1
   ATOM 1142 C D GLY A 42 ? 41.68947 13.54398 -8.65107 0.427 4.61401 C ? A ? 42 C 1
   ATOM 1143 O D GLY A 42 ? 41.95314 12.50680 -8.00694 0.427 5.16002 O ? A ? 42 O 1
   ATOM 1144 H D GLY A 42 ? 41.24047 16.60099 -8.76195 0.427 5.64837 H ? A ? 42 H 1
   ATOM 1145 HA2 D GLY A 42 ? 42.85407 15.20900 -8.46745 0.427 5.64019 H ? A ? 42 HA2 1
   ATOM 1146 HA3 D GLY A 42 ? 42.14904 14.80374 -7.11351 0.427 5.64019 H ? A ? 42 HA3 1
   ATOM 1147 N B ILE A 43 ? 41.12778 13.56969 -9.90189 0.441 4.71878 N ? A ? 43 N 1
   ATOM 1148 CA B ILE A 43 ? 40.68072 12.35080 -10.57057 0.441 5.07551 C ? A ? 43 CA 1
   ATOM 1149 C B ILE A 43 ? 41.33028 12.08562 -11.92433 0.441 5.43535 C ? A ? 43 C 1
   ATOM 1150 O B ILE A 43 ? 41.26354 10.92195 -12.37448 0.441 5.62743 O ? A ? 43 O 1
   ATOM 1151 CB B ILE A 43 ? 39.14443 12.26042 -10.69590 0.441 5.29362 C ? A ? 43 CB 1
   ATOM 1152 CG1 B ILE A 43 ? 38.51229 13.47083 -11.45632 0.441 5.20200 C ? A ? 43 CG1 1
   ATOM 1153 CG2 B ILE A 43 ? 38.57274 12.00727 -9.31834 0.441 5.23732 C ? A ? 43 CG2 1
   ATOM 1154 CD1 B ILE A 43 ? 37.02426 13.37512 -11.60623 0.441 6.80705 C ? A ? 43 CD1 1
   ATOM 1155 H B ILE A 43 ? 40.98305 14.27879 -10.36646 0.442 5.66253 H ? A ? 43 H 1
   ATOM 1156 HA B ILE A 43 ? 40.95758 11.62395 -9.99098 0.442 6.09062 H ? A ? 43 HA 1
   ATOM 1157 HB B ILE A 43 ? 38.90834 11.51167 -11.26557 0.442 6.35235 H ? A ? 43 HB 1
   ATOM 1158 HG12 B ILE A 43 ? 38.70932 14.28469 -10.96671 0.442 6.24240 H ? A ? 43 HG12 1
   ATOM 1159 HG13 B ILE A 43 ? 38.89760 13.51694 -12.34531 0.442 6.24240 H ? A ? 43 HG13 1
   ATOM 1160 HG21 B ILE A 43 ? 37.62788 11.80403 -9.40101 0.442 6.28479 H ? A ? 43 HG21 1
   ATOM 1161 HG22 B ILE A 43 ? 39.03841 11.25745 -8.91607 0.442 6.28479 H ? A ? 43 HG22 1
   ATOM 1162 HG23 B ILE A 43 ? 38.69390 12.80179 -8.77525 0.442 6.28479 H ? A ? 43 HG23 1
   ATOM 1163 HD11 B ILE A 43 ? 36.72106 14.07780 -12.20223 0.442 8.16846 H ? A ? 43 HD11 1
   ATOM 1164 HD12 B ILE A 43 ? 36.79935 12.50729 -11.97663 0.442 8.16846 H ? A ? 43 HD12 1
   ATOM 1165 HD13 B ILE A 43 ? 36.61167 13.47976 -10.73462 0.442 8.16846 H ? A ? 43 HD13 1
   ATOM 1166 N C ILE A 43 ? 41.20513 13.47899 -9.93084 0.132 4.62045 N ? A ? 43 N 1
   ATOM 1167 CA C ILE A 43 ? 40.74462 12.27648 -10.61909 0.132 5.13018 C ? A ? 43 CA 1
   ATOM 1168 C C ILE A 43 ? 41.45733 12.03914 -11.95117 0.132 5.52167 C ? A ? 43 C 1
   ATOM 1169 O C ILE A 43 ? 41.62986 10.88093 -12.35360 0.132 5.96926 O ? A ? 43 O 1
   ATOM 1170 CB C ILE A 43 ? 39.20483 12.25770 -10.77868 0.132 5.34478 C ? A ? 43 CB 1
   ATOM 1171 CG1 C ILE A 43 ? 38.67068 13.52473 -11.48921 0.132 5.55018 C ? A ? 43 CG1 1
   ATOM 1172 CG2 C ILE A 43 ? 38.55151 12.06685 -9.41634 0.132 5.53644 C ? A ? 43 CG2 1
   ATOM 1173 CD1 C ILE A 43 ? 37.17691 13.52239 -11.81216 0.132 6.15628 C ? A ? 43 CD1 1
   ATOM 1174 H C ILE A 43 ? 41.24387 14.16707 -10.44527 0.132 5.54453 H ? A ? 43 H 1
   ATOM 1175 HA C ILE A 43 ? 41.00593 11.53012 -10.05734 0.132 6.15622 H ? A ? 43 HA 1
   ATOM 1176 HB C ILE A 43 ? 38.97398 11.50936 -11.35104 0.132 6.41373 H ? A ? 43 HB 1
   ATOM 1177 HG12 C ILE A 43 ? 38.84023 14.28918 -10.91671 0.132 6.66022 H ? A ? 43 HG12 1
   ATOM 1178 HG13 C ILE A 43 ? 39.14646 13.62666 -12.32834 0.132 6.66022 H ? A ? 43 HG13 1
   ATOM 1179 HG21 C ILE A 43 ? 37.59712 11.94365 -9.53826 0.132 6.64373 H ? A ? 43 HG21 1
   ATOM 1180 HG22 C ILE A 43 ? 38.93417 11.28441 -8.98943 0.132 6.64373 H ? A ? 43 HG22 1
   ATOM 1181 HG23 C ILE A 43 ? 38.71681 12.85377 -8.87381 0.132 6.64373 H ? A ? 43 HG23 1
   ATOM 1182 HD11 C ILE A 43 ? 36.96352 14.31739 -12.32533 0.132 7.38754 H ? A ? 43 HD11 1
   ATOM 1183 HD12 C ILE A 43 ? 36.96678 12.72884 -12.32890 0.132 7.38754 H ? A ? 43 HD12 1
   ATOM 1184 HD13 C ILE A 43 ? 36.67444 13.51949 -10.98246 0.132 7.38754 H ? A ? 43 HD13 1
   ATOM 1185 N D ILE A 43 ? 41.11394 13.52431 -9.85764 0.427 4.67630 N ? A ? 43 N 1
   ATOM 1186 CA D ILE A 43 ? 40.64822 12.30134 -10.50065 0.427 5.03764 C ? A ? 43 CA 1
   ATOM 1187 C D ILE A 43 ? 41.25663 12.06084 -11.88126 0.427 5.56158 C ? A ? 43 C 1
   ATOM 1188 O D ILE A 43 ? 41.03182 10.97667 -12.44028 0.427 6.06154 O ? A ? 43 O 1
   ATOM 1189 CB D ILE A 43 ? 39.10617 12.23025 -10.58505 0.427 5.35155 C ? A ? 43 CB 1
   ATOM 1190 CG1 D ILE A 43 ? 38.62060 13.26327 -11.60390 0.427 5.27487 C ? A ? 43 CG1 1
   ATOM 1191 CG2 D ILE A 43 ? 38.44999 12.35500 -9.18725 0.427 5.47914 C ? A ? 43 CG2 1
   ATOM 1192 CD1 D ILE A 43 ? 37.15772 13.11836 -11.93886 0.427 6.39236 C ? A ? 43 CD1 1
   ATOM 1193 H D ILE A 43 ? 40.98028 14.22809 -10.33349 0.427 5.61156 H ? A ? 43 H 1
   ATOM 1194 HA D ILE A 43 ? 40.93488 11.56494 -9.93812 0.427 6.04516 H ? A ? 43 HA 1
   ATOM 1195 HB D ILE A 43 ? 38.82980 11.35658 -10.90320 0.427 6.42186 H ? A ? 43 HB 1
   ATOM 1196 HG12 D ILE A 43 ? 38.75775 14.15217 -11.24066 0.427 6.32984 H ? A ? 43 HG12 1
   ATOM 1197 HG13 D ILE A 43 ? 39.12723 13.15835 -12.42440 0.427 6.32984 H ? A ? 43 HG13 1
   ATOM 1198 HG21 D ILE A 43 ? 37.53516 12.03661 -9.23829 0.427 6.57497 H ? A ? 43 HG21 1
   ATOM 1199 HG22 D ILE A 43 ? 38.95200 11.81878 -8.55373 0.427 6.57497 H ? A ? 43 HG22 1
   ATOM 1200 HG23 D ILE A 43 ? 38.46153 13.28592 -8.91492 0.427 6.57497 H ? A ? 43 HG23 1
   ATOM 1201 HD11 D ILE A 43 ? 36.91942 13.78078 -12.60618 0.427 7.67083 H ? A ? 43 HD11 1
   ATOM 1202 HD12 D ILE A 43 ? 37.00024 12.22675 -12.28688 0.427 7.67083 H ? A ? 43 HD12 1
   ATOM 1203 HD13 D ILE A 43 ? 36.63426 13.25651 -11.13399 0.427 7.67083 H ? A ? 43 HD13 1
   ATOM 1204 N B VAL A 44 ? 41.96464 13.07841 -12.58243 0.441 4.63086 N ? A ? 44 N 1
   ATOM 1205 CA B VAL A 44 ? 42.63178 12.83312 -13.86924 0.441 4.65200 C ? A ? 44 CA 1
   ATOM 1206 C B VAL A 44 ? 44.07950 12.44898 -13.53898 0.441 4.33104 C ? A ? 44 C 1
   ATOM 1207 O B VAL A 44 ? 44.79364 13.17086 -12.85297 0.441 3.70829 O ? A ? 44 O 1
   ATOM 1208 CB B VAL A 44 ? 42.48313 14.06534 -14.80694 0.441 4.45840 C ? A ? 44 CB 1
   ATOM 1209 CG1 B VAL A 44 ? 43.41826 14.04232 -15.97727 0.441 5.36028 C ? A ? 44 CG1 1
   ATOM 1210 CG2 B VAL A 44 ? 40.99990 14.14837 -15.35351 0.441 4.78324 C ? A ? 44 CG2 1
   ATOM 1211 H B VAL A 44 ? 42.01875 13.89004 -12.30329 0.442 5.55704 H ? A ? 44 H 1
   ATOM 1212 HA B VAL A 44 ? 42.23872 12.09208 -14.35635 0.442 5.58241 H ? A ? 44 HA 1
   ATOM 1213 HB B VAL A 44 ? 42.70525 14.84500 -14.27432 0.442 5.35008 H ? A ? 44 HB 1
   ATOM 1214 HG11 B VAL A 44 ? 43.09524 14.66003 -16.65180 0.442 6.43234 H ? A ? 44 HG11 1
   ATOM 1215 HG12 B VAL A 44 ? 44.30229 14.30932 -15.68044 0.442 6.43234 H ? A ? 44 HG12 1
   ATOM 1216 HG13 B VAL A 44 ? 43.44858 13.14306 -16.33963 0.442 6.43234 H ? A ? 44 HG13 1
   ATOM 1217 HG21 B VAL A 44 ? 40.88916 14.97943 -15.84134 0.442 5.73989 H ? A ? 44 HG21 1
   ATOM 1218 HG22 B VAL A 44 ? 40.83775 13.39493 -15.94253 0.442 5.73989 H ? A ? 44 HG22 1
   ATOM 1219 HG23 B VAL A 44 ? 40.38505 14.12044 -14.60380 0.442 5.73989 H ? A ? 44 HG23 1
   ATOM 1220 N C VAL A 44 ? 41.92403 13.10175 -12.61356 0.132 4.67787 N ? A ? 44 N 1
   ATOM 1221 CA C VAL A 44 ? 42.59668 12.96338 -13.90950 0.132 4.61313 C ? A ? 44 CA 1
   ATOM 1222 C C VAL A 44 ? 44.08179 12.69448 -13.66896 0.132 4.32585 C ? A ? 44 C 1
   ATOM 1223 O C VAL A 44 ? 44.78886 13.50312 -13.05522 0.132 4.75219 O ? A ? 44 O 1
   ATOM 1224 CB C VAL A 44 ? 42.37506 14.18953 -14.81141 0.132 4.36829 C ? A ? 44 CB 1
   ATOM 1225 CG1 C VAL A 44 ? 43.35959 14.16963 -15.97051 0.132 5.16488 C ? A ? 44 CG1 1
   ATOM 1226 CG2 C VAL A 44 ? 40.95489 14.20100 -15.35445 0.132 4.71870 C ? A ? 44 CG2 1
   ATOM 1227 H C VAL A 44 ? 41.86322 13.91251 -12.33326 0.132 5.61345 H ? A ? 44 H 1
   ATOM 1228 HA C VAL A 44 ? 42.22622 12.19447 -14.37040 0.132 5.53576 H ? A ? 44 HA 1
   ATOM 1229 HB C VAL A 44 ? 42.51579 14.99257 -14.28584 0.132 5.24195 H ? A ? 44 HB 1
   ATOM 1230 HG11 C VAL A 44 ? 43.03313 14.75438 -16.67222 0.132 6.19785 H ? A ? 44 HG11 1
   ATOM 1231 HG12 C VAL A 44 ? 44.22334 14.47990 -15.65655 0.132 6.19785 H ? A ? 44 HG12 1
   ATOM 1232 HG13 C VAL A 44 ? 43.43557 13.26222 -16.30477 0.132 6.19785 H ? A ? 44 HG13 1
   ATOM 1233 HG21 C VAL A 44 ? 40.80617 15.03198 -15.83219 0.132 5.66244 H ? A ? 44 HG21 1
   ATOM 1234 HG22 C VAL A 44 ? 40.84071 13.44863 -15.95595 0.132 5.66244 H ? A ? 44 HG22 1
   ATOM 1235 HG23 C VAL A 44 ? 40.33290 14.12952 -14.61355 0.132 5.66244 H ? A ? 44 HG23 1
   ATOM 1236 N D VAL A 44 ? 41.95055 13.02858 -12.48236 0.427 4.67321 N ? A ? 44 N 1
   ATOM 1237 CA D VAL A 44 ? 42.60497 12.81643 -13.78782 0.427 4.77552 C ? A ? 44 CA 1
   ATOM 1238 C D VAL A 44 ? 44.12262 12.70928 -13.63643 0.427 4.37466 C ? A ? 44 C 1
   ATOM 1239 O D VAL A 44 ? 44.80588 13.57631 -13.06164 0.427 4.89505 O ? A ? 44 O 1
   ATOM 1240 CB D VAL A 44 ? 42.28477 13.93700 -14.79251 0.427 4.77420 C ? A ? 44 CB 1
   ATOM 1241 CG1 D VAL A 44 ? 43.19011 13.89227 -15.99904 0.427 6.00615 C ? A ? 44 CG1 1
   ATOM 1242 CG2 D VAL A 44 ? 40.84141 13.83966 -15.20879 0.427 4.38218 C ? A ? 44 CG2 1
   ATOM 1243 H D VAL A 44 ? 42.05928 13.81761 -12.15802 0.427 5.60785 H ? A ? 44 H 1
   ATOM 1244 HA D VAL A 44 ? 42.27258 11.96637 -14.11617 0.427 5.73063 H ? A ? 44 HA 1
   ATOM 1245 HB D VAL A 44 ? 42.43902 14.79153 -14.36021 0.427 5.72904 H ? A ? 44 HB 1
   ATOM 1246 HG11 D VAL A 44 ? 42.81640 14.45480 -16.69531 0.427 7.20738 H ? A ? 44 HG11 1
   ATOM 1247 HG12 D VAL A 44 ? 44.06852 14.21746 -15.74696 0.427 7.20738 H ? A ? 44 HG12 1
   ATOM 1248 HG13 D VAL A 44 ? 43.25378 12.97646 -16.31231 0.427 7.20738 H ? A ? 44 HG13 1
   ATOM 1249 HG21 D VAL A 44 ? 40.64535 14.55184 -15.83750 0.427 5.25861 H ? A ? 44 HG21 1
   ATOM 1250 HG22 D VAL A 44 ? 40.69102 12.97785 -15.62779 0.427 5.25861 H ? A ? 44 HG22 1
   ATOM 1251 HG23 D VAL A 44 ? 40.27948 13.92804 -14.42310 0.427 5.25861 H ? A ? 44 HG23 1
   ATOM 1252 N B GLU A 45 ? 44.55766 11.36377 -14.13860 0.441 4.69929 N ? A ? 45 N 1
   ATOM 1253 CA B GLU A 45 ? 45.97222 11.00462 -14.06503 0.441 4.92089 C ? A ? 45 CA 1
   ATOM 1254 C B GLU A 45 ? 46.81448 12.08132 -14.73335 0.441 4.98641 C ? A ? 45 C 1
   ATOM 1255 O B GLU A 45 ? 46.58335 12.45139 -15.89247 0.441 5.00706 O ? A ? 45 O 1
   ATOM 1256 CB B GLU A 45 ? 46.20723 9.74212 -14.87713 0.441 9.35966 C ? A ? 45 CB 1
   ATOM 1257 CG B GLU A 45 ? 45.49437 8.59069 -14.29913 0.441 9.07895 C ? A ? 45 CG 1
   ATOM 1258 CD B GLU A 45 ? 45.54930 7.33519 -15.17692 0.441 14.35672 C ? A ? 45 CD 1
   ATOM 1259 OE1 B GLU A 45 ? 46.45849 7.20946 -16.04293 0.441 13.23629 O ? A ? 45 OE1 1
   ATOM 1260 OE2 B GLU A 45 ? 44.61998 6.51039 -15.01854 0.441 16.62744 O ? A ? 45 OE2 1
   ATOM 1261 H B GLU A 45 ? 44.08217 10.81375 -14.59794 0.442 5.63915 H ? A ? 45 H 1
   ATOM 1262 HA B GLU A 45 ? 46.21870 10.88969 -13.13394 0.442 5.90507 H ? A ? 45 HA 1
   ATOM 1263 HB2 B GLU A 45 ? 45.88571 9.87827 -15.78211 0.442 11.23159 H ? A ? 45 HB2 1
   ATOM 1264 HB3 B GLU A 45 ? 47.15591 9.54021 -14.88896 0.442 11.23159 H ? A ? 45 HB3 1
   ATOM 1265 HG2 B GLU A 45 ? 45.89446 8.37208 -13.44296 0.442 10.89474 H ? A ? 45 HG2 1
   ATOM 1266 HG3 B GLU A 45 ? 44.56162 8.82803 -14.17852 0.442 10.89474 H ? A ? 45 HG3 1
   ATOM 1267 N C GLU A 45 ? 44.55440 11.53786 -14.14274 0.132 5.21991 N ? A ? 45 N 1
   ATOM 1268 CA C GLU A 45 ? 45.96270 11.17894 -13.99394 0.132 5.65223 C ? A ? 45 CA 1
   ATOM 1269 C C GLU A 45 ? 46.82735 12.18201 -14.75716 0.132 5.06775 C ? A ? 45 C 1
   ATOM 1270 O C GLU A 45 ? 46.53625 12.53986 -15.90386 0.132 5.10768 O ? A ? 45 O 1
   ATOM 1271 CB C GLU A 45 ? 46.20401 9.75310 -14.50327 0.132 8.55631 C ? A ? 45 CB 1
   ATOM 1272 CG C GLU A 45 ? 47.65970 9.37474 -14.54031 0.132 10.78316 C ? A ? 45 CG 1
   ATOM 1273 CD C GLU A 45 ? 47.94047 8.02698 -15.19705 0.132 12.29423 C ? A ? 45 CD 1
   ATOM 1274 OE1 C GLU A 45 ? 46.98317 7.30438 -15.53976 0.132 12.85768 O ? A ? 45 OE1 1
   ATOM 1275 OE2 C GLU A 45 ? 49.13156 7.69067 -15.38418 0.132 11.70620 O ? A ? 45 OE2 1
   ATOM 1276 H C GLU A 45 ? 44.08109 10.94783 -14.55195 0.132 6.26389 H ? A ? 45 H 1
   ATOM 1277 HA C GLU A 45 ? 46.21438 11.20010 -13.05740 0.132 6.78268 H ? A ? 45 HA 1
   ATOM 1278 HB2 C GLU A 45 ? 45.74832 9.12905 -13.91692 0.132 10.26757 H ? A ? 45 HB2 1
   ATOM 1279 HB3 C GLU A 45 ? 45.85319 9.67818 -15.40450 0.132 10.26757 H ? A ? 45 HB3 1
   ATOM 1280 HG2 C GLU A 45 ? 48.14348 10.05107 -15.03974 0.132 12.93979 H ? A ? 45 HG2 1
   ATOM 1281 HG3 C GLU A 45 ? 47.99266 9.33282 -13.63021 0.132 12.93979 H ? A ? 45 HG3 1
   ATOM 1282 N D GLU A 45 ? 44.66897 11.61872 -14.18143 0.427 5.29755 N ? A ? 45 N 1
   ATOM 1283 CA D GLU A 45 ? 46.11714 11.37512 -14.07864 0.427 5.78010 C ? A ? 45 CA 1
   ATOM 1284 C D GLU A 45 ? 46.91536 12.50500 -14.75365 0.427 4.32452 C ? A ? 45 C 1
   ATOM 1285 O D GLU A 45 ? 46.54953 12.97858 -15.84853 0.427 5.31968 O ? A ? 45 O 1
   ATOM 1286 CB D GLU A 45 ? 46.42466 9.93011 -14.54952 0.427 8.91765 C ? A ? 45 CB 1
   ATOM 1287 CG D GLU A 45 ? 47.80585 9.51904 -14.39286 0.427 12.30375 C ? A ? 45 CG 1
   ATOM 1288 CD D GLU A 45 ? 48.15043 8.10857 -14.85861 0.427 14.30039 C ? A ? 45 CD 1
   ATOM 1289 OE1 D GLU A 45 ? 47.26089 7.29198 -15.21940 0.427 16.92267 O ? A ? 45 OE1 1
   ATOM 1290 OE2 D GLU A 45 ? 49.37391 7.84603 -14.85825 0.427 16.41877 O ? A ? 45 OE2 1
   ATOM 1291 H D GLU A 45 ? 44.23379 11.01279 -14.60930 0.427 6.35706 H ? A ? 45 H 1
   ATOM 1292 HA D GLU A 45 ? 46.43045 11.40469 -13.16111 0.427 6.93612 H ? A ? 45 HA 1
   ATOM 1293 HB2 D GLU A 45 ? 45.87771 9.31608 -14.03502 0.427 10.70118 H ? A ? 45 HB2 1
   ATOM 1294 HB3 D GLU A 45 ? 46.20495 9.86042 -15.49174 0.427 10.70118 H ? A ? 45 HB3 1
   ATOM 1295 HG2 D GLU A 45 ? 48.36224 10.13003 -14.90082 0.427 14.76450 H ? A ? 45 HG2 1
   ATOM 1296 HG3 D GLU A 45 ? 48.03120 9.57035 -13.45080 0.427 14.76450 H ? A ? 45 HG3 1
   ATOM 1297 N B VAL A 46 ? 47.80019 12.59297 -14.02877 0.441 4.18263 N ? A ? 46 N 1
   ATOM 1298 CA B VAL A 46 ? 48.64653 13.64915 -14.61722 0.441 3.72279 C ? A ? 46 CA 1
   ATOM 1299 C B VAL A 46 ? 49.42015 13.06937 -15.80985 0.441 4.37228 C ? A ? 46 C 1
   ATOM 1300 O B VAL A 46 ? 50.07200 12.00641 -15.64425 0.441 4.90890 O ? A ? 46 O 1
   ATOM 1301 CB B VAL A 46 ? 49.60049 14.18774 -13.52493 0.441 4.56503 C ? A ? 46 CB 1
   ATOM 1302 CG1 B VAL A 46 ? 50.59680 15.17637 -14.08772 0.441 4.87327 C ? A ? 46 CG1 1
   ATOM 1303 CG2 B VAL A 46 ? 48.83840 14.84126 -12.39222 0.441 4.99118 C ? A ? 46 CG2 1
   ATOM 1304 H B VAL A 46 ? 48.00797 12.36294 -13.22657 0.442 5.01916 H ? A ? 46 H 1
   ATOM 1305 HA B VAL A 46 ? 48.10098 14.37884 -14.95013 0.442 4.46735 H ? A ? 46 HA 1
   ATOM 1306 HB B VAL A 46 ? 50.08490 13.42292 -13.17666 0.442 5.47804 H ? A ? 46 HB 1
   ATOM 1307 HG11 B VAL A 46 ? 51.04970 15.62069 -13.35399 0.442 5.84793 H ? A ? 46 HG11 1
   ATOM 1308 HG12 B VAL A 46 ? 51.24108 14.69928 -14.63379 0.442 5.84793 H ? A ? 46 HG12 1
   ATOM 1309 HG13 B VAL A 46 ? 50.12382 15.82853 -14.62798 0.442 5.84793 H ? A ? 46 HG13 1
   ATOM 1310 HG21 B VAL A 46 ? 49.47146 15.23176 -11.76961 0.442 5.98941 H ? A ? 46 HG21 1
   ATOM 1311 HG22 B VAL A 46 ? 48.26309 15.53232 -12.75601 0.442 5.98941 H ? A ? 46 HG22 1
   ATOM 1312 HG23 B VAL A 46 ? 48.30364 14.16876 -11.94202 0.442 5.98941 H ? A ? 46 HG23 1
   ATOM 1313 N C VAL A 46 ? 47.88580 12.64974 -14.11386 0.132 4.44252 N ? A ? 46 N 1
   ATOM 1314 CA C VAL A 46 ? 48.70489 13.73694 -14.67818 0.132 4.12411 C ? A ? 46 CA 1
   ATOM 1315 C C VAL A 46 ? 49.47898 13.22803 -15.89753 0.132 4.64757 C ? A ? 46 C 1
   ATOM 1316 O C VAL A 46 ? 50.04492 12.12533 -15.84307 0.132 5.34234 O ? A ? 46 O 1
   ATOM 1317 CB C VAL A 46 ? 49.65830 14.26127 -13.59535 0.132 4.74740 C ? A ? 46 CB 1
   ATOM 1318 CG1 C VAL A 46 ? 50.57473 15.33202 -14.16245 0.132 5.12912 C ? A ? 46 CG1 1
   ATOM 1319 CG2 C VAL A 46 ? 48.87297 14.79976 -12.40685 0.132 5.01168 C ? A ? 46 CG2 1
   ATOM 1320 H C VAL A 46 ? 48.15933 12.36298 -13.35061 0.132 5.33103 H ? A ? 46 H 1
   ATOM 1321 HA C VAL A 46 ? 48.12890 14.45793 -14.97702 0.132 4.94893 H ? A ? 46 HA 1
   ATOM 1322 HB C VAL A 46 ? 50.21075 13.52727 -13.28400 0.132 5.69688 H ? A ? 46 HB 1
   ATOM 1323 HG11 C VAL A 46 ? 51.03800 15.77059 -13.43173 0.132 6.15494 H ? A ? 46 HG11 1
   ATOM 1324 HG12 C VAL A 46 ? 51.21665 14.91511 -14.75829 0.132 6.15494 H ? A ? 46 HG12 1
   ATOM 1325 HG13 C VAL A 46 ? 50.04106 15.97811 -14.65097 0.132 6.15494 H ? A ? 46 HG13 1
   ATOM 1326 HG21 C VAL A 46 ? 49.48949 15.21163 -11.78141 0.132 6.01402 H ? A ? 46 HG21 1
   ATOM 1327 HG22 C VAL A 46 ? 48.23358 15.45732 -12.72260 0.132 6.01402 H ? A ? 46 HG22 1
   ATOM 1328 HG23 C VAL A 46 ? 48.40728 14.06533 -11.97715 0.132 6.01402 H ? A ? 46 HG23 1
   ATOM 1329 N D VAL A 46 ? 47.94943 12.99109 -14.07074 0.427 4.29455 N ? A ? 46 N 1
   ATOM 1330 CA D VAL A 46 ? 48.82987 13.99068 -14.66760 0.427 4.57310 C ? A ? 46 CA 1
   ATOM 1331 C D VAL A 46 ? 49.59992 13.31033 -15.79790 0.427 4.79573 C ? A ? 46 C 1
   ATOM 1332 O D VAL A 46 ? 50.31155 12.31841 -15.58130 0.427 5.68589 O ? A ? 46 O 1
   ATOM 1333 CB D VAL A 46 ? 49.75765 14.58696 -13.60901 0.427 4.48448 C ? A ? 46 CB 1
   ATOM 1334 CG1 D VAL A 46 ? 50.71221 15.56623 -14.32237 0.427 5.57495 C ? A ? 46 CG1 1
   ATOM 1335 CG2 D VAL A 46 ? 48.91898 15.27141 -12.53381 0.427 6.56244 C ? A ? 46 CG2 1
   ATOM 1336 H D VAL A 46 ? 48.15898 12.75999 -13.26931 0.427 5.15346 H ? A ? 46 H 1
   ATOM 1337 HA D VAL A 46 ? 48.31553 14.71937 -15.04887 0.427 5.48772 H ? A ? 46 HA 1
   ATOM 1338 HB D VAL A 46 ? 50.28918 13.90935 -13.16267 0.427 5.38138 H ? A ? 46 HB 1
   ATOM 1339 HG11 D VAL A 46 ? 51.20991 16.06444 -13.65530 0.427 6.68995 H ? A ? 46 HG11 1
   ATOM 1340 HG12 D VAL A 46 ? 51.32285 15.06100 -14.88163 0.427 6.68995 H ? A ? 46 HG12 1
   ATOM 1341 HG13 D VAL A 46 ? 50.19019 16.17474 -14.86837 0.427 6.68995 H ? A ? 46 HG13 1
   ATOM 1342 HG21 D VAL A 46 ? 49.49525 15.51922 -11.79394 0.427 7.87493 H ? A ? 46 HG21 1
   ATOM 1343 HG22 D VAL A 46 ? 48.50667 16.06390 -12.91176 0.427 7.87493 H ? A ? 46 HG22 1
   ATOM 1344 HG23 D VAL A 46 ? 48.23427 14.65611 -12.22807 0.427 7.87493 H ? A ? 46 HG23 1
   ATOM 1345 N B PRO A 47 ? 49.41941 13.72066 -16.98624 0.441 4.66191 N ? A ? 47 N 1
   ATOM 1346 CA B PRO A 47 ? 50.26913 13.28579 -18.12619 0.441 5.11800 C ? A ? 47 CA 1
   ATOM 1347 C B PRO A 47 ? 51.73969 13.11229 -17.72097 0.441 4.94635 C ? A ? 47 C 1
   ATOM 1348 O B PRO A 47 ? 52.29878 13.99614 -17.06566 0.441 5.15682 O ? A ? 47 O 1
   ATOM 1349 CB B PRO A 47 ? 50.07893 14.42042 -19.16640 0.441 4.75993 C ? A ? 47 CB 1
   ATOM 1350 CG B PRO A 47 ? 48.70777 15.01340 -18.91748 0.441 5.70841 C ? A ? 47 CG 1
   ATOM 1351 CD B PRO A 47 ? 48.63755 14.93538 -17.34794 0.441 5.65284 C ? A ? 47 CD 1
   ATOM 1352 HA B PRO A 47 ? 49.94286 12.44810 -18.49050 0.442 6.14160 H ? A ? 47 HA 1
   ATOM 1353 HB2 B PRO A 47 ? 50.76824 15.09150 -19.04238 0.442 5.71192 H ? A ? 47 HB2 1
   ATOM 1354 HB3 B PRO A 47 ? 50.13310 14.05068 -20.06153 0.442 5.71192 H ? A ? 47 HB3 1
   ATOM 1355 HG2 B PRO A 47 ? 48.66097 15.92799 -19.23723 0.442 6.85009 H ? A ? 47 HG2 1
   ATOM 1356 HG3 B PRO A 47 ? 48.01605 14.47909 -19.33811 0.442 6.85009 H ? A ? 47 HG3 1
   ATOM 1357 HD2 B PRO A 47 ? 49.03682 15.72550 -16.95147 0.442 6.78341 H ? A ? 47 HD2 1
   ATOM 1358 HD3 B PRO A 47 ? 47.71744 14.84567 -17.05423 0.442 6.78341 H ? A ? 47 HD3 1
   ATOM 1359 N C PRO A 47 ? 49.56837 13.98280 -17.00043 0.132 4.27766 N ? A ? 47 N 1
   ATOM 1360 CA C PRO A 47 ? 50.35479 13.50527 -18.15240 0.132 4.94790 C ? A ? 47 CA 1
   ATOM 1361 C C PRO A 47 ? 51.79198 13.20670 -17.73504 0.132 5.02724 C ? A ? 47 C 1
   ATOM 1362 O C PRO A 47 ? 52.39401 13.94907 -16.95477 0.132 5.06041 O ? A ? 47 O 1
   ATOM 1363 CB C PRO A 47 ? 50.25306 14.66802 -19.15327 0.132 5.28869 C ? A ? 47 CB 1
   ATOM 1364 CG C PRO A 47 ? 48.89583 15.27233 -18.86611 0.132 5.84311 C ? A ? 47 CG 1
   ATOM 1365 CD C PRO A 47 ? 48.79782 15.19504 -17.33480 0.132 5.31016 C ? A ? 47 CD 1
   ATOM 1366 HA C PRO A 47 ? 49.96471 12.71236 -18.55244 0.132 5.93748 H ? A ? 47 HA 1
   ATOM 1367 HB2 C PRO A 47 ? 50.96385 15.30901 -18.99573 0.132 6.34643 H ? A ? 47 HB2 1
   ATOM 1368 HB3 C PRO A 47 ? 50.30372 14.33322 -20.06225 0.132 6.34643 H ? A ? 47 HB3 1
   ATOM 1369 HG2 C PRO A 47 ? 48.86173 16.19061 -19.17675 0.132 7.01173 H ? A ? 47 HG2 1
   ATOM 1370 HG3 C PRO A 47 ? 48.19676 14.75188 -19.29194 0.132 7.01173 H ? A ? 47 HG3 1
   ATOM 1371 HD2 C PRO A 47 ? 49.19451 15.97931 -16.92436 0.132 6.37220 H ? A ? 47 HD2 1
   ATOM 1372 HD3 C PRO A 47 ? 47.87407 15.10449 -17.05303 0.132 6.37220 H ? A ? 47 HD3 1
   ATOM 1373 N D PRO A 47 ? 49.53084 13.80427 -16.98939 0.427 4.68839 N ? A ? 47 N 1
   ATOM 1374 CA D PRO A 47 ? 50.27719 13.14878 -18.06304 0.427 5.12057 C ? A ? 47 CA 1
   ATOM 1375 C D PRO A 47 ? 51.75201 13.01200 -17.67638 0.427 4.58943 C ? A ? 47 C 1
   ATOM 1376 O D PRO A 47 ? 52.31078 13.89787 -17.01758 0.427 5.13928 O ? A ? 47 O 1
   ATOM 1377 CB D PRO A 47 ? 50.07482 14.11359 -19.20668 0.427 5.48804 C ? A ? 47 CB 1
   ATOM 1378 CG D PRO A 47 ? 48.63122 14.63056 -18.95045 0.427 6.05069 C ? A ? 47 CG 1
   ATOM 1379 CD D PRO A 47 ? 48.59365 14.84175 -17.46829 0.427 6.03682 C ? A ? 47 CD 1
   ATOM 1380 HA D PRO A 47 ? 49.91892 12.27684 -18.29163 0.427 6.14468 H ? A ? 47 HA 1
   ATOM 1381 HB2 D PRO A 47 ? 50.72430 14.83287 -19.16528 0.427 6.58564 H ? A ? 47 HB2 1
   ATOM 1382 HB3 D PRO A 47 ? 50.14345 13.65320 -20.05770 0.427 6.58564 H ? A ? 47 HB3 1
   ATOM 1383 HG2 D PRO A 47 ? 48.48125 15.46120 -19.42842 0.427 7.26082 H ? A ? 47 HG2 1
   ATOM 1384 HG3 D PRO A 47 ? 47.98138 13.96607 -19.22806 0.427 7.26082 H ? A ? 47 HG3 1
   ATOM 1385 HD2 D PRO A 47 ? 48.90386 15.73011 -17.23275 0.427 7.24418 H ? A ? 47 HD2 1
   ATOM 1386 HD3 D PRO A 47 ? 47.70138 14.69770 -17.11613 0.427 7.24418 H ? A ? 47 HD3 1
   ATOM 1387 N B ASP A 48 ? 52.38301 12.00219 -18.16247 0.441 5.43057 N ? A ? 48 N 1
   ATOM 1388 CA B ASP A 48 ? 53.76112 11.71504 -17.76819 0.441 6.05362 C ? A ? 48 CA 1
   ATOM 1389 C B ASP A 48 ? 54.67886 12.91202 -18.04774 0.441 5.09729 C ? A ? 48 C 1
   ATOM 1390 O B ASP A 48 ? 55.56023 13.23173 -17.23482 0.441 5.58054 O ? A ? 48 O 1
   ATOM 1391 CB B ASP A 48 ? 54.32957 10.51773 -18.53645 0.441 6.56621 C ? A ? 48 CB 1
   ATOM 1392 CG B ASP A 48 ? 53.81514 9.15915 -18.07496 0.441 7.01701 C ? A ? 48 CG 1
   ATOM 1393 OD1 B ASP A 48 ? 53.37411 9.05306 -16.88336 0.441 8.11551 O ? A ? 48 OD1 1
   ATOM 1394 OD2 B ASP A 48 ? 53.86675 8.23071 -18.99380 0.441 6.87329 O ? A ? 48 OD2 1
   ATOM 1395 H B ASP A 48 ? 52.03743 11.41306 -18.68507 0.442 6.51668 H ? A ? 48 H 1
   ATOM 1396 HA B ASP A 48 ? 53.74331 11.50706 -16.82092 0.442 7.26434 H ? A ? 48 HA 1
   ATOM 1397 HB2 B ASP A 48 ? 54.09720 10.61419 -19.47325 0.442 7.87945 H ? A ? 48 HB2 1
   ATOM 1398 HB3 B ASP A 48 ? 55.29397 10.51457 -18.43248 0.442 7.87945 H ? A ? 48 HB3 1
   ATOM 1399 N C ASP A 48 ? 52.33919 12.09913 -18.24925 0.132 5.32432 N ? A ? 48 N 1
   ATOM 1400 CA C ASP A 48 ? 53.69127 11.71269 -17.85334 0.132 5.99979 C ? A ? 48 CA 1
   ATOM 1401 C C ASP A 48 ? 54.65614 12.86980 -18.07060 0.132 5.17215 C ? A ? 48 C 1
   ATOM 1402 O C ASP A 48 ? 55.52392 13.14227 -17.23053 0.132 5.56897 O ? A ? 48 O 1
   ATOM 1403 CB C ASP A 48 ? 54.15762 10.47700 -18.63322 0.132 7.08851 C ? A ? 48 CB 1
   ATOM 1404 CG C ASP A 48 ? 53.64889 9.17274 -18.02444 0.132 7.30026 C ? A ? 48 CG 1
   ATOM 1405 OD1 C ASP A 48 ? 52.81793 9.21682 -17.09850 0.132 7.72383 O ? A ? 48 OD1 1
   ATOM 1406 OD2 C ASP A 48 ? 54.08712 8.08759 -18.43965 0.132 5.77705 O ? A ? 48 OD2 1
   ATOM 1407 H C ASP A 48 ? 51.95825 11.57190 -18.81185 0.132 6.38918 H ? A ? 48 H 1
   ATOM 1408 HA C ASP A 48 ? 53.68650 11.47404 -16.91317 0.132 7.19975 H ? A ? 48 HA 1
   ATOM 1409 HB2 C ASP A 48 ? 53.82655 10.53325 -19.54324 0.132 8.50622 H ? A ? 48 HB2 1
   ATOM 1410 HB3 C ASP A 48 ? 55.12725 10.45030 -18.63400 0.132 8.50622 H ? A ? 48 HB3 1
   ATOM 1411 N D ASP A 48 ? 52.38425 11.90072 -18.08501 0.427 5.40236 N ? A ? 48 N 1
   ATOM 1412 CA D ASP A 48 ? 53.78081 11.67844 -17.76420 0.427 6.00324 C ? A ? 48 CA 1
   ATOM 1413 C D ASP A 48 ? 54.66921 12.89577 -18.04862 0.427 5.11785 C ? A ? 48 C 1
   ATOM 1414 O D ASP A 48 ? 55.54497 13.20401 -17.22901 0.427 5.57818 O ? A ? 48 O 1
   ATOM 1415 CB D ASP A 48 ? 54.30110 10.47911 -18.54138 0.427 6.60476 C ? A ? 48 CB 1
   ATOM 1416 CG D ASP A 48 ? 53.67515 9.15708 -18.11411 0.427 7.20762 C ? A ? 48 CG 1
   ATOM 1417 OD1 D ASP A 48 ? 52.85699 9.10368 -17.16275 0.427 7.88282 O ? A ? 48 OD1 1
   ATOM 1418 OD2 D ASP A 48 ? 54.02472 8.13109 -18.72946 0.427 6.56245 O ? A ? 48 OD2 1
   ATOM 1419 H D ASP A 48 ? 52.02141 11.27117 -18.54502 0.427 6.48283 H ? A ? 48 H 1
   ATOM 1420 HA D ASP A 48 ? 53.83328 11.49956 -16.81228 0.427 7.20389 H ? A ? 48 HA 1
   ATOM 1421 HB2 D ASP A 48 ? 54.10699 10.60830 -19.48294 0.427 7.92571 H ? A ? 48 HB2 1
   ATOM 1422 HB3 D ASP A 48 ? 55.25924 10.41063 -18.40652 0.427 7.92571 H ? A ? 48 HB3 1
   ATOM 1423 N . ILE A 49 ? 54.50204 13.56505 -19.20116 1.000 5.62967 N ? A ? 49 N 1
   ATOM 1424 CA . ILE A 49 ? 55.36501 14.65281 -19.58622 1.000 6.01514 C ? A ? 49 CA 1
   ATOM 1425 C . ILE A 49 ? 55.23548 15.86310 -18.67356 1.000 4.96378 C ? A ? 49 C 1
   ATOM 1426 O . ILE A 49 ? 56.10608 16.75050 -18.70780 1.000 6.46364 O ? A ? 49 O 1
   ATOM 1427 HA . ILE A 49 ? 56.24408 14.25624 -19.48195 1.000 7.21817 H ? A ? 49 HA 1
   ATOM 1428 CB A ILE A 49 ? 54.88621 14.99831 -21.12855 0.486 4.47134 C ? A ? 49 CB 1
   ATOM 1429 CG1 A ILE A 49 ? 56.10183 15.62219 -21.84674 0.486 4.80910 C ? A ? 49 CG1 1
   ATOM 1430 CG2 A ILE A 49 ? 53.62649 15.79401 -21.23381 0.486 4.48355 C ? A ? 49 CG2 1
   ATOM 1431 CD1 A ILE A 49 ? 57.26658 14.60482 -22.12174 0.486 6.05824 C ? A ? 49 CD1 1
   ATOM 1432 HB A ILE A 49 ? 54.62452 14.17752 -21.57433 0.486 5.36561 H ? A ? 49 HB 1
   ATOM 1433 HG12 A ILE A 49 ? 55.81074 15.97671 -22.70142 0.486 5.77091 H ? A ? 49 HG12 1
   ATOM 1434 HG13 A ILE A 49 ? 56.45706 16.33648 -21.29492 0.486 5.77091 H ? A ? 49 HG13 1
   ATOM 1435 HG21 A ILE A 49 ? 53.37454 15.86440 -22.16787 0.486 5.38026 H ? A ? 49 HG21 1
   ATOM 1436 HG22 A ILE A 49 ? 52.92634 15.34433 -20.73534 0.486 5.38026 H ? A ? 49 HG22 1
   ATOM 1437 HG23 A ILE A 49 ? 53.77959 16.67800 -20.86498 0.486 5.38026 H ? A ? 49 HG23 1
   ATOM 1438 HD11 A ILE A 49 ? 57.94297 15.03851 -22.66516 0.486 7.26988 H ? A ? 49 HD11 1
   ATOM 1439 HD12 A ILE A 49 ? 57.65021 14.32758 -21.27506 0.486 7.26988 H ? A ? 49 HD12 1
   ATOM 1440 HD13 A ILE A 49 ? 56.90907 13.83475 -22.59087 0.486 7.26988 H ? A ? 49 HD13 1
   ATOM 1441 CB B ILE A 49 ? 55.38729 15.05135 -21.02495 0.514 6.00403 C ? A ? 49 CB 1
   ATOM 1442 CG1 B ILE A 49 ? 56.65072 15.72440 -21.61678 0.514 7.86280 C ? A ? 49 CG1 1
   ATOM 1443 CG2 B ILE A 49 ? 54.20552 15.99897 -21.24136 0.514 7.71707 C ? A ? 49 CG2 1
   ATOM 1444 CD1 B ILE A 49 ? 57.71151 14.85029 -21.65991 0.514 10.52576 C ? A ? 49 CD1 1
   ATOM 1445 H B ILE A 49 ? 53.88393 13.38787 -19.77225 0.442 6.75560 H ? A ? 49 H 1
   ATOM 1446 HB B ILE A 49 ? 55.35773 14.20367 -21.49555 0.514 7.20484 H ? A ? 49 HB 1
   ATOM 1447 HG12 B ILE A 49 ? 56.46237 16.02183 -22.52064 0.514 9.43536 H ? A ? 49 HG12 1
   ATOM 1448 HG13 B ILE A 49 ? 56.90014 16.48121 -21.06368 0.514 9.43536 H ? A ? 49 HG13 1
   ATOM 1449 HG21 B ILE A 49 ? 53.97698 16.00862 -22.18400 0.514 9.26048 H ? A ? 49 HG21 1
   ATOM 1450 HG22 B ILE A 49 ? 53.44957 15.68502 -20.72092 0.514 9.26048 H ? A ? 49 HG22 1
   ATOM 1451 HG23 B ILE A 49 ? 54.45833 16.89000 -20.95316 0.514 9.26048 H ? A ? 49 HG23 1
   ATOM 1452 HD11 B ILE A 49 ? 58.40331 15.22111 -22.22983 0.514 12.63091 H ? A ? 49 HD11 1
   ATOM 1453 HD12 B ILE A 49 ? 58.05480 14.72571 -20.76128 0.514 12.63091 H ? A ? 49 HD12 1
   ATOM 1454 HD13 B ILE A 49 ? 57.40722 14.00185 -22.01833 0.514 12.63091 H ? A ? 49 HD13 1
   ATOM 1455 H C ILE A 49 ? 53.87970 13.41182 -19.77458 0.132 6.75560 H ? A ? 49 H 1
   ATOM 1456 H D ILE A 49 ? 53.88350 13.39381 -19.77360 0.427 6.75560 H ? A ? 49 H 1
   ATOM 1457 N A LEU A 50 ? 54.19841 15.92269 -17.83552 0.398 4.78064 N ? A ? 50 N 1
   ATOM 1458 CA A LEU A 50 ? 53.93878 17.05649 -16.95227 0.398 4.82264 C ? A ? 50 CA 1
   ATOM 1459 C A LEU A 50 ? 54.32408 16.78424 -15.50607 0.398 4.57656 C ? A ? 50 C 1
   ATOM 1460 O A LEU A 50 ? 54.24020 17.70464 -14.68117 0.398 4.80893 O ? A ? 50 O 1
   ATOM 1461 CB A LEU A 50 ? 52.46186 17.48904 -17.00819 0.398 5.14799 C ? A ? 50 CB 1
   ATOM 1462 CG A LEU A 50 ? 52.06911 18.03483 -18.35837 0.398 5.84813 C ? A ? 50 CG 1
   ATOM 1463 CD1 A LEU A 50 ? 50.63208 18.51256 -18.26863 0.398 5.45642 C ? A ? 50 CD1 1
   ATOM 1464 CD2 A LEU A 50 ? 52.89750 19.16453 -18.85234 0.398 5.86211 C ? A ? 50 CD2 1
   ATOM 1465 H A LEU A 50 ? 53.61325 15.29707 -17.75945 0.398 5.73677 H ? A ? 50 H 1
   ATOM 1466 HA A LEU A 50 ? 54.46862 17.80157 -17.27635 0.398 5.78717 H ? A ? 50 HA 1
   ATOM 1467 HB2 A LEU A 50 ? 51.90053 16.72112 -16.81817 0.398 6.17759 H ? A ? 50 HB2 1
   ATOM 1468 HB3 A LEU A 50 ? 52.31062 18.18230 -16.34681 0.398 6.17759 H ? A ? 50 HB3 1
   ATOM 1469 HG A LEU A 50 ? 52.19724 17.31610 -18.99705 0.398 7.01775 H ? A ? 50 HG 1
   ATOM 1470 HD11 A LEU A 50 ? 50.35723 18.85132 -19.13500 0.398 6.54770 H ? A ? 50 HD11 1
   ATOM 1471 HD12 A LEU A 50 ? 50.06715 17.76753 -18.01038 0.398 6.54770 H ? A ? 50 HD12 1
   ATOM 1472 HD13 A LEU A 50 ? 50.57442 19.21716 -17.60448 0.398 6.54770 H ? A ? 50 HD13 1
   ATOM 1473 HD21 A LEU A 50 ? 52.44382 19.58597 -19.59898 0.398 7.03454 H ? A ? 50 HD21 1
   ATOM 1474 HD22 A LEU A 50 ? 53.01812 19.80533 -18.13421 0.398 7.03454 H ? A ? 50 HD22 1
   ATOM 1475 HD23 A LEU A 50 ? 53.75890 18.82282 -19.13891 0.398 7.03454 H ? A ? 50 HD23 1
   ATOM 1476 N B LEU A 50 ? 54.09979 15.96799 -17.93249 0.344 4.75543 N ? A ? 50 N 1
   ATOM 1477 CA B LEU A 50 ? 53.81055 17.03142 -16.96751 0.344 4.75811 C ? A ? 50 CA 1
   ATOM 1478 C B LEU A 50 ? 54.15688 16.66281 -15.50515 0.344 4.43889 C ? A ? 50 C 1
   ATOM 1479 O B LEU A 50 ? 53.96694 17.49500 -14.60744 0.344 3.12465 O ? A ? 50 O 1
   ATOM 1480 CB B LEU A 50 ? 52.31079 17.40324 -17.05192 0.344 4.67727 C ? A ? 50 CB 1
   ATOM 1481 CG B LEU A 50 ? 51.84220 18.16158 -18.30435 0.344 5.88672 C ? A ? 50 CG 1
   ATOM 1482 CD1 B LEU A 50 ? 50.34864 18.35384 -18.15852 0.344 6.26510 C ? A ? 50 CD1 1
   ATOM 1483 CD2 B LEU A 50 ? 52.60551 19.45171 -18.46091 0.344 7.71709 C ? A ? 50 CD2 1
   ATOM 1484 H B LEU A 50 ? 53.45683 15.39912 -17.98334 0.344 5.70651 H ? A ? 50 H 1
   ATOM 1485 HA B LEU A 50 ? 54.34604 17.80567 -17.20132 0.344 5.70973 H ? A ? 50 HA 1
   ATOM 1486 HB2 B LEU A 50 ? 51.79789 16.58089 -17.01225 0.344 5.61272 H ? A ? 50 HB2 1
   ATOM 1487 HB3 B LEU A 50 ? 52.09980 17.96300 -16.28835 0.344 5.61272 H ? A ? 50 HB3 1
   ATOM 1488 HG B LEU A 50 ? 52.01605 17.67397 -19.12466 0.344 7.06406 H ? A ? 50 HG 1
   ATOM 1489 HD11 B LEU A 50 ? 50.02392 18.88216 -18.90440 0.344 7.51812 H ? A ? 50 HD11 1
   ATOM 1490 HD12 B LEU A 50 ? 49.91717 17.48509 -18.15586 0.344 7.51812 H ? A ? 50 HD12 1
   ATOM 1491 HD13 B LEU A 50 ? 50.16955 18.81467 -17.32397 0.344 7.51812 H ? A ? 50 HD13 1
   ATOM 1492 HD21 B LEU A 50 ? 52.17715 19.99121 -19.14380 0.344 9.26050 H ? A ? 50 HD21 1
   ATOM 1493 HD22 B LEU A 50 ? 52.60190 19.92549 -17.61449 0.344 9.26050 H ? A ? 50 HD22 1
   ATOM 1494 HD23 B LEU A 50 ? 53.51730 19.24939 -18.72284 0.344 9.26050 H ? A ? 50 HD23 1
   ATOM 1495 N C LEU A 50 ? 54.24454 15.93358 -17.79633 0.258 4.64338 N ? A ? 50 N 1
   ATOM 1496 CA C LEU A 50 ? 54.05796 17.07734 -16.90881 0.258 4.59139 C ? A ? 50 CA 1
   ATOM 1497 C C LEU A 50 ? 54.41301 16.76075 -15.46010 0.258 4.57453 C ? A ? 50 C 1
   ATOM 1498 O C LEU A 50 ? 54.34141 17.66337 -14.60959 0.258 4.74525 O ? A ? 50 O 1
   ATOM 1499 CB C LEU A 50 ? 52.61198 17.60268 -17.01282 0.258 5.20119 C ? A ? 50 CB 1
   ATOM 1500 CG C LEU A 50 ? 52.33275 18.39208 -18.27832 0.258 3.77743 C ? A ? 50 CG 1
   ATOM 1501 CD1 C LEU A 50 ? 50.81901 18.59217 -18.45086 0.258 6.30613 C ? A ? 50 CD1 1
   ATOM 1502 CD2 C LEU A 50 ? 52.99625 19.72009 -18.23373 0.258 6.18277 C ? A ? 50 CD2 1
   ATOM 1503 H C LEU A 50 ? 53.65254 15.31853 -17.69217 0.258 5.57205 H ? A ? 50 H 1
   ATOM 1504 HA C LEU A 50 ? 54.64068 17.79781 -17.19562 0.258 5.50967 H ? A ? 50 HA 1
   ATOM 1505 HB2 C LEU A 50 ? 52.00496 16.84628 -16.99587 0.258 6.24142 H ? A ? 50 HB2 1
   ATOM 1506 HB3 C LEU A 50 ? 52.43803 18.18467 -16.25656 0.258 6.24142 H ? A ? 50 HB3 1
   ATOM 1507 HG C LEU A 50 ? 52.68335 17.89589 -19.03448 0.258 4.53291 H ? A ? 50 HG 1
   ATOM 1508 HD11 C LEU A 50 ? 50.65122 19.00516 -19.31236 0.258 7.56736 H ? A ? 50 HD11 1
   ATOM 1509 HD12 C LEU A 50 ? 50.37927 17.72870 -18.40671 0.258 7.56736 H ? A ? 50 HD12 1
   ATOM 1510 HD13 C LEU A 50 ? 50.49325 19.16601 -17.73988 0.258 7.56736 H ? A ? 50 HD13 1
   ATOM 1511 HD21 C LEU A 50 ? 52.65121 20.26986 -18.95457 0.258 7.41932 H ? A ? 50 HD21 1
   ATOM 1512 HD22 C LEU A 50 ? 52.80790 20.13868 -17.37921 0.258 7.41932 H ? A ? 50 HD22 1
   ATOM 1513 HD23 C LEU A 50 ? 53.95287 19.59886 -18.33897 0.258 7.41932 H ? A ? 50 HD23 1
   ATOM 1514 N A ILE A 51 ? 54.83130 15.58134 -15.19488 0.398 4.21522 N ? A ? 51 N 1
   ATOM 1515 CA A ILE A 51 ? 55.15628 15.22071 -13.81884 0.398 4.50823 C ? A ? 51 CA 1
   ATOM 1516 C A ILE A 51 ? 56.23570 16.14642 -13.26212 0.398 4.32002 C ? A ? 51 C 1
   ATOM 1517 O A ILE A 51 ? 56.15423 16.58169 -12.11427 0.398 4.95006 O ? A ? 51 O 1
   ATOM 1518 CB A ILE A 51 ? 55.53942 13.71882 -13.72317 0.398 5.28299 C ? A ? 51 CB 1
   ATOM 1519 CG1 A ILE A 51 ? 54.31504 12.82667 -13.98388 0.398 5.89782 C ? A ? 51 CG1 1
   ATOM 1520 CG2 A ILE A 51 ? 56.19640 13.40791 -12.36651 0.398 6.91071 C ? A ? 51 CG2 1
   ATOM 1521 CD1 A ILE A 51 ? 53.22285 12.85483 -12.97250 0.398 8.48650 C ? A ? 51 CD1 1
   ATOM 1522 H A ILE A 51 ? 54.99478 14.95959 -15.76611 0.398 5.05826 H ? A ? 51 H 1
   ATOM 1523 HA A ILE A 51 ? 54.36596 15.34486 -13.27031 0.398 5.40987 H ? A ? 51 HA 1
   ATOM 1524 HB A ILE A 51 ? 56.19208 13.52558 -14.41426 0.398 6.33958 H ? A ? 51 HB 1
   ATOM 1525 HG12 A ILE A 51 ? 53.92281 13.09800 -14.82853 0.398 7.07738 H ? A ? 51 HG12 1
   ATOM 1526 HG13 A ILE A 51 ? 54.62192 11.90824 -14.04042 0.398 7.07738 H ? A ? 51 HG13 1
   ATOM 1527 HG21 A ILE A 51 ? 56.17118 12.45007 -12.21555 0.398 8.29286 H ? A ? 51 HG21 1
   ATOM 1528 HG22 A ILE A 51 ? 57.11599 13.71609 -12.38294 0.398 8.29286 H ? A ? 51 HG22 1
   ATOM 1529 HG23 A ILE A 51 ? 55.70642 13.86620 -11.66594 0.398 8.29286 H ? A ? 51 HG23 1
   ATOM 1530 HD11 A ILE A 51 ? 52.58331 12.15530 -13.17878 0.398 10.18380 H ? A ? 51 HD11 1
   ATOM 1531 HD12 A ILE A 51 ? 53.60327 12.70626 -12.09267 0.398 10.18380 H ? A ? 51 HD12 1
   ATOM 1532 HD13 A ILE A 51 ? 52.78695 13.72085 -13.00246 0.398 10.18380 H ? A ? 51 HD13 1
   ATOM 1533 N B ILE A 51 ? 54.59772 15.43075 -15.20692 0.344 3.91492 N ? A ? 51 N 1
   ATOM 1534 CA B ILE A 51 ? 54.86716 15.05964 -13.81864 0.344 3.75174 C ? A ? 51 CA 1
   ATOM 1535 C B ILE A 51 ? 56.00974 15.87348 -13.21796 0.344 3.79919 C ? A ? 51 C 1
   ATOM 1536 O B ILE A 51 ? 55.95998 16.23537 -12.03222 0.344 3.65526 O ? A ? 51 O 1
   ATOM 1537 CB B ILE A 51 ? 55.11454 13.53683 -13.72644 0.344 4.34266 C ? A ? 51 CB 1
   ATOM 1538 CG1 B ILE A 51 ? 53.78910 12.83114 -13.92444 0.344 4.56653 C ? A ? 51 CG1 1
   ATOM 1539 CG2 B ILE A 51 ? 55.85789 13.19443 -12.45436 0.344 4.98300 C ? A ? 51 CG2 1
   ATOM 1540 CD1 B ILE A 51 ? 53.94843 11.34094 -13.95807 0.344 5.92879 C ? A ? 51 CD1 1
   ATOM 1541 H B ILE A 51 ? 54.74454 14.80722 -15.78073 0.344 4.69790 H ? A ? 51 H 1
   ATOM 1542 HA B ILE A 51 ? 54.08184 15.27485 -13.29152 0.344 4.50209 H ? A ? 51 HA 1
   ATOM 1543 HB B ILE A 51 ? 55.70182 13.22267 -14.43164 0.344 5.21119 H ? A ? 51 HB 1
   ATOM 1544 HG12 B ILE A 51 ? 53.19495 13.05678 -13.19165 0.344 5.47983 H ? A ? 51 HG12 1
   ATOM 1545 HG13 B ILE A 51 ? 53.39964 13.11421 -14.76652 0.344 5.47983 H ? A ? 51 HG13 1
   ATOM 1546 HG21 B ILE A 51 ? 55.86188 12.23115 -12.34046 0.344 5.97961 H ? A ? 51 HG21 1
   ATOM 1547 HG22 B ILE A 51 ? 56.76793 13.52328 -12.52211 0.344 5.97961 H ? A ? 51 HG22 1
   ATOM 1548 HG23 B ILE A 51 ? 55.40944 13.61441 -11.70375 0.344 5.97961 H ? A ? 51 HG23 1
   ATOM 1549 HD11 B ILE A 51 ? 53.10967 10.93982 -14.23465 0.344 7.11454 H ? A ? 51 HD11 1
   ATOM 1550 HD12 B ILE A 51 ? 54.64847 11.11235 -14.58942 0.344 7.11454 H ? A ? 51 HD12 1
   ATOM 1551 HD13 B ILE A 51 ? 54.18783 11.02884 -13.07140 0.344 7.11454 H ? A ? 51 HD13 1
   ATOM 1552 N C ILE A 51 ? 54.86144 15.52907 -15.16273 0.258 4.20195 N ? A ? 51 N 1
   ATOM 1553 CA C ILE A 51 ? 55.09397 15.12775 -13.77896 0.258 4.48103 C ? A ? 51 CA 1
   ATOM 1554 C C ILE A 51 ? 56.21490 15.96073 -13.14895 0.258 4.19593 C ? A ? 51 C 1
   ATOM 1555 O C ILE A 51 ? 56.11201 16.36817 -11.99181 0.258 4.45481 O ? A ? 51 O 1
   ATOM 1556 CB C ILE A 51 ? 55.36237 13.60998 -13.67768 0.258 5.09576 C ? A ? 51 CB 1
   ATOM 1557 CG1 C ILE A 51 ? 54.11255 12.82959 -14.04896 0.258 5.92710 C ? A ? 51 CG1 1
   ATOM 1558 CG2 C ILE A 51 ? 55.76015 13.21027 -12.24277 0.258 4.41638 C ? A ? 51 CG2 1
   ATOM 1559 CD1 C ILE A 51 ? 53.06674 12.82843 -13.01329 0.258 8.41101 C ? A ? 51 CD1 1
   ATOM 1560 H C ILE A 51 ? 55.03511 14.91796 -15.74237 0.258 5.04234 H ? A ? 51 H 1
   ATOM 1561 HA C ILE A 51 ? 54.28359 15.30716 -13.27696 0.258 5.37724 H ? A ? 51 HA 1
   ATOM 1562 HB C ILE A 51 ? 56.08734 13.40645 -14.28915 0.258 6.11491 H ? A ? 51 HB 1
   ATOM 1563 HG12 C ILE A 51 ? 53.73089 13.21982 -14.85081 0.258 7.11252 H ? A ? 51 HG12 1
   ATOM 1564 HG13 C ILE A 51 ? 54.36179 11.90702 -14.21523 0.258 7.11252 H ? A ? 51 HG13 1
   ATOM 1565 HG21 C ILE A 51 ? 55.63218 12.25491 -12.13411 0.258 5.29965 H ? A ? 51 HG21 1
   ATOM 1566 HG22 C ILE A 51 ? 56.69199 13.43772 -12.09842 0.258 5.29965 H ? A ? 51 HG22 1
   ATOM 1567 HG23 C ILE A 51 ? 55.20071 13.69256 -11.61402 0.258 5.29965 H ? A ? 51 HG23 1
   ATOM 1568 HD11 C ILE A 51 ? 52.21770 12.59843 -13.42210 0.258 10.09321 H ? A ? 51 HD11 1
   ATOM 1569 HD12 C ILE A 51 ? 53.29512 12.17409 -12.33462 0.258 10.09321 H ? A ? 51 HD12 1
   ATOM 1570 HD13 C ILE A 51 ? 53.01424 13.71200 -12.61650 0.258 10.09321 H ? A ? 51 HD13 1
   ATOM 1571 N A ASP A 52 ? 57.24405 16.50034 -14.05880 0.398 4.29429 N ? A ? 52 N 1
   ATOM 1572 CA A ASP A 52 ? 58.32334 17.33087 -13.54536 0.398 4.74152 C ? A ? 52 CA 1
   ATOM 1573 C A ASP A 52 ? 57.77134 18.69288 -13.15289 0.398 5.03397 C ? A ? 52 C 1
   ATOM 1574 O A ASP A 52 ? 58.11190 19.22494 -12.07125 0.398 4.58665 O ? A ? 52 O 1
   ATOM 1575 CB A ASP A 52 ? 59.40335 17.45346 -14.62034 0.398 5.34690 C ? A ? 52 CB 1
   ATOM 1576 CG A ASP A 52 ? 60.27936 16.20505 -14.76599 0.398 6.28833 C ? A ? 52 CG 1
   ATOM 1577 OD1 A ASP A 52 ? 60.22685 15.26766 -13.95509 0.398 8.47000 O ? A ? 52 OD1 1
   ATOM 1578 OD2 A ASP A 52 ? 61.06051 16.11748 -15.73263 0.398 8.42695 O ? A ? 52 OD2 1
   ATOM 1579 H A ASP A 52 ? 57.32336 16.27566 -14.88514 0.398 5.15315 H ? A ? 52 H 1
   ATOM 1580 HA A ASP A 52 ? 58.73074 16.93101 -12.76111 0.398 5.68982 H ? A ? 52 HA 1
   ATOM 1581 HB2 A ASP A 52 ? 58.97491 17.61461 -15.47555 0.398 6.41628 H ? A ? 52 HB2 1
   ATOM 1582 HB3 A ASP A 52 ? 59.98432 18.19684 -14.39503 0.398 6.41628 H ? A ? 52 HB3 1
   ATOM 1583 N B ASP A 52 ? 57.07255 16.16544 -13.98793 0.344 4.59205 N ? A ? 52 N 1
   ATOM 1584 CA B ASP A 52 ? 58.17422 16.96444 -13.42405 0.344 4.77970 C ? A ? 52 CA 1
   ATOM 1585 C B ASP A 52 ? 57.71985 18.37763 -13.02540 0.344 4.13590 C ? A ? 52 C 1
   ATOM 1586 O B ASP A 52 ? 58.06002 18.86742 -11.92723 0.344 4.75656 O ? A ? 52 O 1
   ATOM 1587 CB B ASP A 52 ? 59.42077 16.98510 -14.31748 0.344 4.74156 C ? A ? 52 CB 1
   ATOM 1588 CG B ASP A 52 ? 60.67296 17.41738 -13.55151 0.344 7.90292 C ? A ? 52 CG 1
   ATOM 1589 OD1 B ASP A 52 ? 61.11235 16.70255 -12.64339 0.344 9.88859 O ? A ? 52 OD1 1
   ATOM 1590 OD2 B ASP A 52 ? 61.26723 18.43569 -13.92638 0.344 9.74506 O ? A ? 52 OD2 1
   ATOM 1591 H B ASP A 52 ? 57.17621 15.92296 -14.80650 0.344 5.51046 H ? A ? 52 H 1
   ATOM 1592 HA B ASP A 52 ? 58.45744 16.51332 -12.61338 0.344 5.73563 H ? A ? 52 HA 1
   ATOM 1593 HB2 B ASP A 52 ? 59.57439 16.09469 -14.67030 0.344 5.68987 H ? A ? 52 HB2 1
   ATOM 1594 HB3 B ASP A 52 ? 59.28044 17.61072 -15.04536 0.344 5.68987 H ? A ? 52 HB3 1
   ATOM 1595 N C ASP A 52 ? 57.32292 16.20577 -13.85994 0.258 4.12935 N ? A ? 52 N 1
   ATOM 1596 CA C ASP A 52 ? 58.39377 17.02604 -13.28722 0.258 4.67786 C ? A ? 52 CA 1
   ATOM 1597 C C ASP A 52 ? 57.88679 18.41480 -12.90248 0.258 4.07394 C ? A ? 52 C 1
   ATOM 1598 O C ASP A 52 ? 58.20334 18.92249 -11.81305 0.258 4.43623 O ? A ? 52 O 1
   ATOM 1599 CB C ASP A 52 ? 59.57504 17.13553 -14.25414 0.258 5.09044 C ? A ? 52 CB 1
   ATOM 1600 CG C ASP A 52 ? 60.29015 15.79216 -14.48721 0.258 5.19943 C ? A ? 52 CG 1
   ATOM 1601 OD1 C ASP A 52 ? 60.03929 14.81953 -13.74876 0.258 6.43175 O ? A ? 52 OD1 1
   ATOM 1602 OD2 C ASP A 52 ? 61.11208 15.75707 -15.43025 0.258 7.31331 O ? A ? 52 OD2 1
   ATOM 1603 H C ASP A 52 ? 57.47474 15.91611 -14.65533 0.258 4.95522 H ? A ? 52 H 1
   ATOM 1604 HA C ASP A 52 ? 58.71326 16.58566 -12.48417 0.258 5.61343 H ? A ? 52 HA 1
   ATOM 1605 HB2 C ASP A 52 ? 59.25187 17.45447 -15.11131 0.258 6.10853 H ? A ? 52 HB2 1
   ATOM 1606 HB3 C ASP A 52 ? 60.22270 17.75951 -13.89071 0.258 6.10853 H ? A ? 52 HB3 1
   ATOM 1607 N A ASP A 53 ? 56.85523 19.22235 -13.96478 0.398 4.85526 N ? A ? 53 N 1
   ATOM 1608 CA A ASP A 53 ? 56.25586 20.48944 -13.60402 0.398 5.05055 C ? A ? 53 CA 1
   ATOM 1609 C A ASP A 53 ? 55.40027 20.33476 -12.33554 0.398 4.49677 C ? A ? 53 C 1
   ATOM 1610 O A ASP A 53 ? 55.38829 21.20030 -11.46193 0.398 4.33581 O ? A ? 53 O 1
   ATOM 1611 CB A ASP A 53 ? 55.38694 21.03207 -14.73221 0.398 5.13416 C ? A ? 53 CB 1
   ATOM 1612 CG A ASP A 53 ? 56.16719 21.52705 -15.93192 0.398 5.81824 C ? A ? 53 CG 1
   ATOM 1613 OD1 A ASP A 53 ? 57.39568 21.51204 -15.96105 0.398 5.54230 O ? A ? 53 OD1 1
   ATOM 1614 OD2 A ASP A 53 ? 55.48173 21.91518 -16.88798 0.398 5.75656 O ? A ? 53 OD2 1
   ATOM 1615 H A ASP A 53 ? 56.57814 18.87562 -14.70139 0.398 5.82631 H ? A ? 53 H 1
   ATOM 1616 HA A ASP A 53 ? 56.97022 21.12657 -13.44695 0.398 6.06066 H ? A ? 53 HA 1
   ATOM 1617 HB2 A ASP A 53 ? 54.79624 20.32553 -15.03680 0.398 6.16099 H ? A ? 53 HB2 1
   ATOM 1618 HB3 A ASP A 53 ? 54.86610 21.77661 -14.39268 0.398 6.16099 H ? A ? 53 HB3 1
   ATOM 1619 N B ASP A 53 ? 56.93058 19.04358 -13.87830 0.344 5.00357 N ? A ? 53 N 1
   ATOM 1620 CA B ASP A 53 ? 56.36893 20.35787 -13.55715 0.344 5.00369 C ? A ? 53 CA 1
   ATOM 1621 C B ASP A 53 ? 55.50303 20.28778 -12.29811 0.344 4.57790 C ? A ? 53 C 1
   ATOM 1622 O B ASP A 53 ? 55.55750 21.17648 -11.42677 0.344 4.53347 O ? A ? 53 O 1
   ATOM 1623 CB B ASP A 53 ? 55.49508 20.85911 -14.71819 0.344 5.19804 C ? A ? 53 CB 1
   ATOM 1624 CG B ASP A 53 ? 56.28244 21.72879 -15.81729 0.344 5.43454 C ? A ? 53 CG 1
   ATOM 1625 OD1 B ASP A 53 ? 57.52263 21.97558 -15.71536 0.344 5.52913 O ? A ? 53 OD1 1
   ATOM 1626 OD2 B ASP A 53 ? 55.55160 22.21922 -16.74359 0.344 5.98171 O ? A ? 53 OD2 1
   ATOM 1627 H B ASP A 53 ? 56.70371 18.75332 -14.65540 0.344 6.00428 H ? A ? 53 H 1
   ATOM 1628 HA B ASP A 53 ? 57.10365 20.97551 -13.41710 0.344 6.00443 H ? A ? 53 HA 1
   ATOM 1629 HB2 B ASP A 53 ? 55.11276 20.09150 -15.17152 0.344 6.23765 H ? A ? 53 HB2 1
   ATOM 1630 HB3 B ASP A 53 ? 54.78855 21.41613 -14.35564 0.344 6.23765 H ? A ? 53 HB3 1
   ATOM 1631 N C ASP A 53 ? 57.07808 19.04150 -13.76860 0.258 4.74027 N ? A ? 53 N 1
   ATOM 1632 CA C ASP A 53 ? 56.48843 20.34597 -13.46541 0.258 5.14022 C ? A ? 53 CA 1
   ATOM 1633 C C ASP A 53 ? 55.55499 20.26075 -12.25396 0.258 4.57113 C ? A ? 53 C 1
   ATOM 1634 O C ASP A 53 ? 55.57588 21.14461 -11.38409 0.258 4.57600 O ? A ? 53 O 1
   ATOM 1635 CB C ASP A 53 ? 55.68131 20.91126 -14.64480 0.258 5.07381 C ? A ? 53 CB 1
   ATOM 1636 CG C ASP A 53 ? 56.54401 21.56562 -15.74431 0.258 5.62137 C ? A ? 53 CG 1
   ATOM 1637 OD1 C ASP A 53 ? 57.80679 21.45251 -15.68735 0.258 6.45181 O ? A ? 53 OD1 1
   ATOM 1638 OD2 C ASP A 53 ? 55.90666 22.17236 -16.63994 0.258 7.19256 O ? A ? 53 OD2 1
   ATOM 1639 H C ASP A 53 ? 56.85623 18.73028 -14.53900 0.258 5.68832 H ? A ? 53 H 1
   ATOM 1640 HA C ASP A 53 ? 57.23072 20.94444 -13.28723 0.258 6.16827 H ? A ? 53 HA 1
   ATOM 1641 HB2 C ASP A 53 ? 55.18184 20.18776 -15.05466 0.258 6.08857 H ? A ? 53 HB2 1
   ATOM 1642 HB3 C ASP A 53 ? 55.07152 21.58661 -14.30870 0.258 6.08857 H ? A ? 53 HB3 1
   ATOM 1643 N . MET A 54 ? 54.66213 19.24329 -12.22242 1.000 4.83740 N ? A ? 54 N 1
   ATOM 1644 CA . MET A 54 ? 53.83645 19.01811 -11.03853 1.000 4.40475 C ? A ? 54 CA 1
   ATOM 1645 C . MET A 54 ? 54.69568 18.98101 -9.79170 1.000 4.04673 C ? A ? 54 C 1
   ATOM 1646 O . MET A 54 ? 54.35636 19.60352 -8.75688 1.000 4.33564 O ? A ? 54 O 1
   ATOM 1647 HA . MET A 54 ? 53.18216 19.73001 -10.96105 1.000 5.28570 H ? A ? 54 HA 1
   ATOM 1648 CB A MET A 54 ? 53.08840 17.69926 -11.21105 0.238 4.07435 C ? A ? 54 CB 1
   ATOM 1649 CG A MET A 54 ? 52.14484 17.46651 -10.08883 0.238 4.67447 C ? A ? 54 CG 1
   ATOM 1650 SD A MET A 54 ? 51.49429 15.78765 -10.16646 0.238 4.65324 S ? A ? 54 SD 1
   ATOM 1651 CE A MET A 54 ? 52.89558 14.79043 -9.64978 0.238 5.32791 C ? A ? 54 CE 1
   ATOM 1652 H A MET A 54 ? 54.61802 18.61762 -12.81080 0.398 5.80488 H ? A ? 54 H 1
   ATOM 1653 HB2 A MET A 54 ? 52.58201 17.72250 -12.03805 0.238 4.88922 H ? A ? 54 HB2 1
   ATOM 1654 HB3 A MET A 54 ? 53.72580 16.96840 -11.23275 0.238 4.88922 H ? A ? 54 HB3 1
   ATOM 1655 HG2 A MET A 54 ? 52.60738 17.58241 -9.24413 0.238 5.60936 H ? A ? 54 HG2 1
   ATOM 1656 HG3 A MET A 54 ? 51.40461 18.09037 -10.15006 0.238 5.60936 H ? A ? 54 HG3 1
   ATOM 1657 HE1 A MET A 54 ? 52.60432 13.87247 -9.53392 0.238 6.39349 H ? A ? 54 HE1 1
   ATOM 1658 HE2 A MET A 54 ? 53.58384 14.83549 -10.33182 0.238 6.39349 H ? A ? 54 HE2 1
   ATOM 1659 HE3 A MET A 54 ? 53.23785 15.13723 -8.81105 0.238 6.39349 H ? A ? 54 HE3 1
   ATOM 1660 CB B MET A 54 ? 53.09363 17.66518 -11.19897 0.378 4.04121 C ? A ? 54 CB 1
   ATOM 1661 CG B MET A 54 ? 52.20539 17.26408 -9.99454 0.378 4.97726 C ? A ? 54 CG 1
   ATOM 1662 SD B MET A 54 ? 51.71945 15.48301 -9.94543 0.378 4.45577 S ? A ? 54 SD 1
   ATOM 1663 CE B MET A 54 ? 53.26676 14.77923 -9.37717 0.378 4.61250 C ? A ? 54 CE 1
   ATOM 1664 H B MET A 54 ? 54.55536 18.65668 -12.84216 0.344 5.80488 H ? A ? 54 H 1
   ATOM 1665 HB2 B MET A 54 ? 52.51975 17.71990 -11.97907 0.378 4.84946 H ? A ? 54 HB2 1
   ATOM 1666 HB3 B MET A 54 ? 53.75331 16.96456 -11.32089 0.378 4.84946 H ? A ? 54 HB3 1
   ATOM 1667 HG2 B MET A 54 ? 52.69078 17.45570 -9.17688 0.378 5.97271 H ? A ? 54 HG2 1
   ATOM 1668 HG3 B MET A 54 ? 51.38926 17.78737 -10.02627 0.378 5.97271 H ? A ? 54 HG3 1
   ATOM 1669 HE1 B MET A 54 ? 53.17233 13.81569 -9.31734 0.378 5.53500 H ? A ? 54 HE1 1
   ATOM 1670 HE2 B MET A 54 ? 53.96714 15.00433 -10.00939 0.378 5.53500 H ? A ? 54 HE2 1
   ATOM 1671 HE3 B MET A 54 ? 53.47870 15.14565 -8.50441 0.378 5.53500 H ? A ? 54 HE3 1
   ATOM 1672 CB C MET A 54 ? 53.10480 17.65834 -11.17818 0.384 4.04672 C ? A ? 54 CB 1
   ATOM 1673 CG C MET A 54 ? 52.26687 17.34399 -9.95301 0.384 4.90425 C ? A ? 54 CG 1
   ATOM 1674 SD C MET A 54 ? 51.64955 15.64901 -10.00757 0.384 5.46878 S ? A ? 54 SD 1
   ATOM 1675 CE C MET A 54 ? 53.19447 14.76135 -9.74782 0.384 5.98954 C ? A ? 54 CE 1
   ATOM 1676 H C MET A 54 ? 54.52769 18.68848 -12.86562 0.258 5.80488 H ? A ? 54 H 1
   ATOM 1677 HB2 C MET A 54 ? 52.51750 17.68898 -11.94956 0.384 4.85607 H ? A ? 54 HB2 1
   ATOM 1678 HB3 C MET A 54 ? 53.76064 16.95219 -11.28838 0.384 4.85607 H ? A ? 54 HB3 1
   ATOM 1679 HG2 C MET A 54 ? 52.80951 17.44777 -9.15572 0.384 5.88510 H ? A ? 54 HG2 1
   ATOM 1680 HG3 C MET A 54 ? 51.50750 17.94652 -9.91824 0.384 5.88510 H ? A ? 54 HG3 1
   ATOM 1681 HE1 C MET A 54 ? 53.01910 13.80771 -9.77456 0.384 7.18745 H ? A ? 54 HE1 1
   ATOM 1682 HE2 C MET A 54 ? 53.81914 15.00260 -10.44959 0.384 7.18745 H ? A ? 54 HE2 1
   ATOM 1683 HE3 C MET A 54 ? 53.55804 15.00668 -8.88265 0.384 7.18745 H ? A ? 54 HE3 1
   ATOM 1684 N A MET A 55 ? 55.77822 18.18551 -9.80944 0.297 4.75883 N ? A ? 55 N 1
   ATOM 1685 CA A MET A 55 ? 56.61536 18.07645 -8.61314 0.297 4.72559 C ? A ? 55 CA 1
   ATOM 1686 C A MET A 55 ? 57.29603 19.39120 -8.25296 0.297 4.31318 C ? A ? 55 C 1
   ATOM 1687 O A MET A 55 ? 57.45309 19.69494 -7.05986 0.297 4.52168 O ? A ? 55 O 1
   ATOM 1688 CB A MET A 55 ? 57.60295 16.90820 -8.75615 0.297 4.97774 C ? A ? 55 CB 1
   ATOM 1689 CG A MET A 55 ? 56.91929 15.55482 -8.72490 0.297 5.58934 C ? A ? 55 CG 1
   ATOM 1690 SD A MET A 55 ? 56.13820 15.20193 -7.13759 0.297 6.79956 S ? A ? 55 SD 1
   ATOM 1691 CE A MET A 55 ? 57.62548 14.85707 -6.20069 0.297 8.59316 C ? A ? 55 CE 1
   ATOM 1692 H A MET A 55 ? 56.03814 17.71538 -10.48102 0.297 5.71059 H ? A ? 55 H 1
   ATOM 1693 HA A MET A 55 ? 56.04812 17.85218 -7.85892 0.297 5.67071 H ? A ? 55 HA 1
   ATOM 1694 HB2 A MET A 55 ? 58.06829 16.99017 -9.60329 0.297 5.97329 H ? A ? 55 HB2 1
   ATOM 1695 HB3 A MET A 55 ? 58.23845 16.94069 -8.02404 0.297 5.97329 H ? A ? 55 HB3 1
   ATOM 1696 HG2 A MET A 55 ? 56.23176 15.53243 -9.40878 0.297 6.70720 H ? A ? 55 HG2 1
   ATOM 1697 HG3 A MET A 55 ? 57.57866 14.86393 -8.89461 0.297 6.70720 H ? A ? 55 HG3 1
   ATOM 1698 HE1 A MET A 55 ? 57.37797 14.59865 -5.29911 0.297 10.31179 H ? A ? 55 HE1 1
   ATOM 1699 HE2 A MET A 55 ? 58.10928 14.13468 -6.63081 0.297 10.31179 H ? A ? 55 HE2 1
   ATOM 1700 HE3 A MET A 55 ? 58.17582 15.65548 -6.17665 0.297 10.31179 H ? A ? 55 HE3 1
   ATOM 1701 N B MET A 55 ? 55.77853 18.19059 -9.82047 0.206 4.77057 N ? A ? 55 N 1
   ATOM 1702 CA B MET A 55 ? 56.62045 18.06263 -8.63880 0.206 4.70177 C ? A ? 55 CA 1
   ATOM 1703 C B MET A 55 ? 57.24203 19.37650 -8.23878 0.206 4.36667 C ? A ? 55 C 1
   ATOM 1704 O B MET A 55 ? 57.37716 19.66807 -7.04623 0.206 4.47900 O ? A ? 55 O 1
   ATOM 1705 CB B MET A 55 ? 57.76750 17.10872 -8.89081 0.206 5.03000 C ? A ? 55 CB 1
   ATOM 1706 CG B MET A 55 ? 57.30212 15.69933 -8.95772 0.206 6.30186 C ? A ? 55 CG 1
   ATOM 1707 SD B MET A 55 ? 56.33430 15.21104 -7.52041 0.206 7.09647 S ? A ? 55 SD 1
   ATOM 1708 CE B MET A 55 ? 57.50907 15.40501 -6.16846 0.206 8.40137 C ? A ? 55 CE 1
   ATOM 1709 H B MET A 55 ? 56.03682 17.73040 -10.49952 0.206 5.72468 H ? A ? 55 H 1
   ATOM 1710 HA B MET A 55 ? 56.04336 17.71996 -7.93849 0.206 5.64212 H ? A ? 55 HA 1
   ATOM 1711 HB2 B MET A 55 ? 58.18931 17.33135 -9.73545 0.206 6.03600 H ? A ? 55 HB2 1
   ATOM 1712 HB3 B MET A 55 ? 58.41083 17.18382 -8.16874 0.206 6.03600 H ? A ? 55 HB3 1
   ATOM 1713 HG2 B MET A 55 ? 56.74615 15.58781 -9.74472 0.206 7.56223 H ? A ? 55 HG2 1
   ATOM 1714 HG3 B MET A 55 ? 58.07413 15.11450 -9.01132 0.206 7.56223 H ? A ? 55 HG3 1
   ATOM 1715 HE1 B MET A 55 ? 57.08157 15.14194 -5.33844 0.206 10.08164 H ? A ? 55 HE1 1
   ATOM 1716 HE2 B MET A 55 ? 58.28008 14.84097 -6.33669 0.206 10.08164 H ? A ? 55 HE2 1
   ATOM 1717 HE3 B MET A 55 ? 57.78335 16.33412 -6.11929 0.206 10.08164 H ? A ? 55 HE3 1
   ATOM 1718 N D MET A 55 ? 55.85613 18.29555 -9.85427 0.497 4.77702 N ? A ? 55 N 1
   ATOM 1719 CA D MET A 55 ? 56.71750 18.25068 -8.67335 0.497 4.26467 C ? A ? 55 CA 1
   ATOM 1720 C D MET A 55 ? 57.34359 19.59669 -8.34830 0.497 4.78081 C ? A ? 55 C 1
   ATOM 1721 O D MET A 55 ? 57.52475 19.93529 -7.16526 0.497 4.75756 O ? A ? 55 O 1
   ATOM 1722 CB D MET A 55 ? 57.76359 17.12164 -8.77717 0.497 4.84210 C ? A ? 55 CB 1
   ATOM 1723 CG D MET A 55 ? 57.11438 15.68504 -8.80576 0.497 6.12782 C ? A ? 55 CG 1
   ATOM 1724 SD D MET A 55 ? 55.97466 15.25734 -7.42889 0.497 6.89648 S ? A ? 55 SD 1
   ATOM 1725 CE D MET A 55 ? 57.11345 15.03138 -6.09542 0.497 8.30074 C ? A ? 55 CE 1
   ATOM 1726 H D MET A 55 ? 56.14813 17.86918 -10.54169 0.497 5.73242 H ? A ? 55 H 1
   ATOM 1727 HA D MET A 55 ? 56.15849 18.01363 -7.91690 0.497 5.11760 H ? A ? 55 HA 1
   ATOM 1728 HB2 D MET A 55 ? 58.27199 17.23728 -9.59513 0.497 5.81052 H ? A ? 55 HB2 1
   ATOM 1729 HB3 D MET A 55 ? 58.35488 17.16827 -8.00964 0.497 5.81052 H ? A ? 55 HB3 1
   ATOM 1730 HG2 D MET A 55 ? 56.60653 15.60203 -9.62801 0.497 7.35338 H ? A ? 55 HG2 1
   ATOM 1731 HG3 D MET A 55 ? 57.83135 15.03187 -8.79127 0.497 7.35338 H ? A ? 55 HG3 1
   ATOM 1732 HE1 D MET A 55 ? 56.61824 14.80961 -5.29137 0.497 9.96089 H ? A ? 55 HE1 1
   ATOM 1733 HE2 D MET A 55 ? 57.72201 14.30978 -6.31869 0.497 9.96089 H ? A ? 55 HE2 1
   ATOM 1734 HE3 D MET A 55 ? 57.61030 15.85366 -5.96167 0.497 9.96089 H ? A ? 55 HE3 1
   ATOM 1735 N A ASP A 56 ? 57.67379 20.18851 -9.25953 0.297 4.55131 N ? A ? 56 N 1
   ATOM 1736 CA A ASP A 56 ? 58.19416 21.53701 -9.02510 0.297 4.97711 C ? A ? 56 CA 1
   ATOM 1737 C A ASP A 56 ? 57.17466 22.39033 -8.25732 0.297 4.44153 C ? A ? 56 C 1
   ATOM 1738 O A ASP A 56 ? 57.50764 23.04427 -7.26068 0.297 4.96396 O ? A ? 56 O 1
   ATOM 1739 CB A ASP A 56 ? 58.53424 22.28553 -10.34085 0.297 5.44587 C ? A ? 56 CB 1
   ATOM 1740 CG A ASP A 56 ? 59.70303 21.69721 -11.15193 0.297 6.90811 C ? A ? 56 CG 1
   ATOM 1741 OD1 A ASP A 56 ? 60.48601 20.90637 -10.57154 0.297 6.88650 O ? A ? 56 OD1 1
   ATOM 1742 OD2 A ASP A 56 ? 59.80493 22.03761 -12.38887 0.297 6.53448 O ? A ? 56 OD2 1
   ATOM 1743 H A ASP A 56 ? 57.63828 19.97069 -10.09073 0.297 5.46157 H ? A ? 56 H 1
   ATOM 1744 HA A ASP A 56 ? 59.01326 21.42399 -8.51796 0.297 5.97254 H ? A ? 56 HA 1
   ATOM 1745 HB2 A ASP A 56 ? 57.75047 22.27141 -10.91217 0.297 6.53505 H ? A ? 56 HB2 1
   ATOM 1746 HB3 A ASP A 56 ? 58.76771 23.20086 -10.12048 0.297 6.53505 H ? A ? 56 HB3 1
   ATOM 1747 N B ASP A 56 ? 57.69483 20.15035 -9.22097 0.206 4.50411 N ? A ? 56 N 1
   ATOM 1748 CA B ASP A 56 ? 58.21454 21.48674 -8.95952 0.206 4.93993 C ? A ? 56 CA 1
   ATOM 1749 C B ASP A 56 ? 57.18920 22.33469 -8.19961 0.206 4.43643 C ? A ? 56 C 1
   ATOM 1750 O B ASP A 56 ? 57.49821 22.88934 -7.13941 0.206 4.63869 O ? A ? 56 O 1
   ATOM 1751 CB B ASP A 56 ? 58.59286 22.18034 -10.27753 0.206 5.20718 C ? A ? 56 CB 1
   ATOM 1752 CG B ASP A 56 ? 60.00483 21.85344 -10.78444 0.206 6.92985 C ? A ? 56 CG 1
   ATOM 1753 OD1 B ASP A 56 ? 60.84109 21.41922 -9.99780 0.206 9.62957 O ? A ? 56 OD1 1
   ATOM 1754 OD2 B ASP A 56 ? 60.26455 22.07146 -11.99623 0.206 6.47992 O ? A ? 56 OD2 1
   ATOM 1755 H B ASP A 56 ? 57.71224 19.92454 -10.05061 0.206 5.40493 H ? A ? 56 H 1
   ATOM 1756 HA B ASP A 56 ? 59.01466 21.40318 -8.41755 0.206 5.92792 H ? A ? 56 HA 1
   ATOM 1757 HB2 B ASP A 56 ? 57.96454 21.90555 -10.96354 0.206 6.24862 H ? A ? 56 HB2 1
   ATOM 1758 HB3 B ASP A 56 ? 58.54334 23.14032 -10.14761 0.206 6.24862 H ? A ? 56 HB3 1
   ATOM 1759 N D ASP A 56 ? 57.66640 20.40434 -9.36387 0.497 4.77906 N ? A ? 56 N 1
   ATOM 1760 CA D ASP A 56 ? 58.15729 21.73085 -9.07723 0.497 4.81997 C ? A ? 56 CA 1
   ATOM 1761 C D ASP A 56 ? 57.09158 22.52620 -8.32389 0.497 4.47002 C ? A ? 56 C 1
   ATOM 1762 O D ASP A 56 ? 57.40091 23.25690 -7.37270 0.497 4.66413 O ? A ? 56 O 1
   ATOM 1763 CB D ASP A 56 ? 58.54626 22.47605 -10.35878 0.497 5.52093 C ? A ? 56 CB 1
   ATOM 1764 CG D ASP A 56 ? 59.77794 21.96696 -11.04875 0.497 6.43428 C ? A ? 56 CG 1
   ATOM 1765 OD1 D ASP A 56 ? 60.58022 21.22995 -10.43882 0.497 6.86953 O ? A ? 56 OD1 1
   ATOM 1766 OD2 D ASP A 56 ? 59.97858 22.41709 -12.21387 0.497 6.19849 O ? A ? 56 OD2 1
   ATOM 1767 H D ASP A 56 ? 57.60838 20.20457 -10.19833 0.497 5.73488 H ? A ? 56 H 1
   ATOM 1768 HA D ASP A 56 ? 58.95918 21.65131 -8.53727 0.497 5.78396 H ? A ? 56 HA 1
   ATOM 1769 HB2 D ASP A 56 ? 57.81210 22.40546 -10.98881 0.497 6.62512 H ? A ? 56 HB2 1
   ATOM 1770 HB3 D ASP A 56 ? 58.70381 23.40685 -10.13587 0.497 6.62512 H ? A ? 56 HB3 1
   ATOM 1771 N A ALA A 57 ? 55.91877 22.42276 -8.74100 0.297 4.46310 N ? A ? 57 N 1
   ATOM 1772 CA A ALA A 57 ? 54.88592 23.21663 -8.07246 0.297 4.23116 C ? A ? 57 CA 1
   ATOM 1773 C A ALA A 57 ? 54.63644 22.68115 -6.66268 0.297 4.04062 C ? A ? 57 C 1
   ATOM 1774 O A ALA A 57 ? 54.60112 23.44199 -5.69131 0.297 4.46161 O ? A ? 57 O 1
   ATOM 1775 CB A ALA A 57 ? 53.58158 23.14850 -8.87090 0.297 4.71678 C ? A ? 57 CB 1
   ATOM 1776 H A ALA A 57 ? 55.64960 22.00101 -9.44049 0.297 5.35572 H ? A ? 57 H 1
   ATOM 1777 HA A ALA A 57 ? 55.18027 24.13961 -8.02381 0.297 5.07739 H ? A ? 57 HA 1
   ATOM 1778 HB1 A ALA A 57 ? 52.90463 23.67292 -8.41525 0.297 5.66013 H ? A ? 57 HB1 1
   ATOM 1779 HB2 A ALA A 57 ? 53.73576 23.50721 -9.75885 0.297 5.66013 H ? A ? 57 HB2 1
   ATOM 1780 HB3 A ALA A 57 ? 53.29713 22.22321 -8.93274 0.297 5.66013 H ? A ? 57 HB3 1
   ATOM 1781 N B ALA A 57 ? 55.94764 22.42518 -8.72162 0.206 4.50368 N ? A ? 57 N 1
   ATOM 1782 CA B ALA A 57 ? 54.90511 23.22894 -8.06931 0.206 4.21334 C ? A ? 57 CA 1
   ATOM 1783 C B ALA A 57 ? 54.58687 22.69295 -6.66918 0.206 4.07281 C ? A ? 57 C 1
   ATOM 1784 O B ALA A 57 ? 54.40925 23.46796 -5.71843 0.206 4.15587 O ? A ? 57 O 1
   ATOM 1785 CB B ALA A 57 ? 53.62175 23.21327 -8.91418 0.206 4.73020 C ? A ? 57 CB 1
   ATOM 1786 H B ALA A 57 ? 55.69090 22.03432 -9.44336 0.206 5.40442 H ? A ? 57 H 1
   ATOM 1787 HA B ALA A 57 ? 55.22615 24.14127 -7.99521 0.206 5.05601 H ? A ? 57 HA 1
   ATOM 1788 HB1 B ALA A 57 ? 52.93660 23.72585 -8.45729 0.206 5.67624 H ? A ? 57 HB1 1
   ATOM 1789 HB2 B ALA A 57 ? 53.80872 23.60887 -9.77988 0.206 5.67624 H ? A ? 57 HB2 1
   ATOM 1790 HB3 B ALA A 57 ? 53.32864 22.29543 -9.02627 0.206 5.67624 H ? A ? 57 HB3 1
   ATOM 1791 N D ALA A 57 ? 55.82730 22.44376 -8.77694 0.497 4.34323 N ? A ? 57 N 1
   ATOM 1792 CA D ALA A 57 ? 54.75983 23.20763 -8.12651 0.497 4.04587 C ? A ? 57 CA 1
   ATOM 1793 C D ALA A 57 ? 54.52136 22.69829 -6.69494 0.497 4.13146 C ? A ? 57 C 1
   ATOM 1794 O D ALA A 57 ? 54.33593 23.49929 -5.75506 0.497 4.00042 O ? A ? 57 O 1
   ATOM 1795 CB D ALA A 57 ? 53.46675 23.08584 -8.95485 0.497 4.50769 C ? A ? 57 CB 1
   ATOM 1796 H D ALA A 57 ? 55.57209 21.96342 -9.44307 0.497 5.21188 H ? A ? 57 H 1
   ATOM 1797 HA D ALA A 57 ? 55.01519 24.14235 -8.08194 0.497 4.85505 H ? A ? 57 HA 1
   ATOM 1798 HB1 D ALA A 57 ? 52.76481 23.59603 -8.52140 0.497 5.40923 H ? A ? 57 HB1 1
   ATOM 1799 HB2 D ALA A 57 ? 53.62800 23.43526 -9.84524 0.497 5.40923 H ? A ? 57 HB2 1
   ATOM 1800 HB3 D ALA A 57 ? 53.21218 22.15131 -9.00734 0.497 5.40923 H ? A ? 57 HB3 1
   ATOM 1801 N . PHE A 58 ? 54.49032 21.36980 -6.54023 1.000 4.18204 N ? A ? 58 N 1
   ATOM 1802 CA . PHE A 58 ? 54.20779 20.73029 -5.25529 1.000 4.20942 C ? A ? 58 CA 1
   ATOM 1803 C . PHE A 58 ? 55.29353 21.06218 -4.23465 1.000 4.39034 C ? A ? 58 C 1
   ATOM 1804 O . PHE A 58 ? 54.99400 21.45092 -3.10262 1.000 4.75397 O ? A ? 58 O 1
   ATOM 1805 HA . PHE A 58 ? 53.35434 21.03810 -4.91212 1.000 5.05131 H ? A ? 58 HA 1
   ATOM 1806 CB A PHE A 58 ? 54.18626 19.20171 -5.48698 0.577 4.61539 C ? A ? 58 CB 1
   ATOM 1807 CG A PHE A 58 ? 54.22364 18.38306 -4.19340 0.577 4.53679 C ? A ? 58 CG 1
   ATOM 1808 CD1 A PHE A 58 ? 53.10879 18.31583 -3.37829 0.577 4.49615 C ? A ? 58 CD1 1
   ATOM 1809 CD2 A PHE A 58 ? 55.36042 17.70603 -3.83164 0.577 6.45389 C ? A ? 58 CD2 1
   ATOM 1810 CE1 A PHE A 58 ? 53.09974 17.60102 -2.18167 0.577 5.10222 C ? A ? 58 CE1 1
   ATOM 1811 CE2 A PHE A 58 ? 55.39017 16.97564 -2.62073 0.577 7.39649 C ? A ? 58 CE2 1
   ATOM 1812 CZ A PHE A 58 ? 54.26607 16.93366 -1.80582 0.577 6.20635 C ? A ? 58 CZ 1
   ATOM 1813 H A PHE A 58 ? 54.55001 20.81392 -7.19371 0.297 5.01845 H ? A ? 58 H 1
   ATOM 1814 HB2 A PHE A 58 ? 53.37275 18.96929 -5.96141 0.577 5.53847 H ? A ? 58 HB2 1
   ATOM 1815 HB3 A PHE A 58 ? 54.96090 18.95523 -6.01620 0.577 5.53847 H ? A ? 58 HB3 1
   ATOM 1816 HD1 A PHE A 58 ? 52.33645 18.76410 -3.63800 0.577 5.39538 H ? A ? 58 HD1 1
   ATOM 1817 HD2 A PHE A 58 ? 56.11016 17.72719 -4.38150 0.577 7.74467 H ? A ? 58 HD2 1
   ATOM 1818 HE1 A PHE A 58 ? 52.33805 17.56979 -1.64899 0.577 6.12267 H ? A ? 58 HE1 1
   ATOM 1819 HE2 A PHE A 58 ? 56.16299 16.52314 -2.36994 0.577 8.87579 H ? A ? 58 HE2 1
   ATOM 1820 HZ A PHE A 58 ? 54.29092 16.45887 -1.00653 0.577 7.44762 H ? A ? 58 HZ 1
   ATOM 1821 CB C PHE A 58 ? 54.03682 19.24645 -5.56518 0.423 4.44700 C ? A ? 58 CB 1
   ATOM 1822 CG C PHE A 58 ? 54.15803 18.38124 -4.34491 0.423 4.51771 C ? A ? 58 CG 1
   ATOM 1823 CD1 C PHE A 58 ? 53.21936 18.44502 -3.33051 0.423 4.78821 C ? A ? 58 CD1 1
   ATOM 1824 CD2 C PHE A 58 ? 55.25262 17.55631 -4.19293 0.423 4.35868 C ? A ? 58 CD2 1
   ATOM 1825 CE1 C PHE A 58 ? 53.38552 17.69957 -2.14181 0.423 4.95843 C ? A ? 58 CE1 1
   ATOM 1826 CE2 C PHE A 58 ? 55.42318 16.78795 -3.05136 0.423 4.37359 C ? A ? 58 CE2 1
   ATOM 1827 CZ C PHE A 58 ? 54.47248 16.82049 -2.03493 0.423 5.67942 C ? A ? 58 CZ 1
   ATOM 1828 HB2 C PHE A 58 ? 53.15750 19.10322 -5.94882 0.423 5.33640 H ? A ? 58 HB2 1
   ATOM 1829 HB3 C PHE A 58 ? 54.72210 18.97447 -6.19552 0.423 5.33640 H ? A ? 58 HB3 1
   ATOM 1830 HD1 C PHE A 58 ? 52.46941 18.98549 -3.43237 0.423 5.74585 H ? A ? 58 HD1 1
   ATOM 1831 HD2 C PHE A 58 ? 55.88917 17.51451 -4.86966 0.423 5.23042 H ? A ? 58 HD2 1
   ATOM 1832 HE1 C PHE A 58 ? 52.78221 17.79076 -1.43996 0.423 5.95012 H ? A ? 58 HE1 1
   ATOM 1833 HE2 C PHE A 58 ? 56.17580 16.24861 -2.96437 0.423 5.24831 H ? A ? 58 HE2 1
   ATOM 1834 HZ C PHE A 58 ? 54.55741 16.26550 -1.29353 0.423 6.81530 H ? A ? 58 HZ 1
   ATOM 1835 H B PHE A 58 ? 54.58512 20.81232 -7.18817 0.206 5.01845 H ? A ? 58 H 1
   ATOM 1836 H D PHE A 58 ? 54.63208 20.80767 -7.17545 0.497 5.01845 H ? A ? 58 H 1
   ATOM 1837 N . GLU A 59 ? 56.57337 20.92633 -4.63168 1.000 4.61341 N ? A ? 59 N 1
   ATOM 1838 CA . GLU A 59 ? 57.69661 21.18197 -3.73183 1.000 5.05236 C ? A ? 59 CA 1
   ATOM 1839 C . GLU A 59 ? 57.82855 22.65517 -3.40539 1.000 4.89916 C ? A ? 59 C 1
   ATOM 1840 O . GLU A 59 ? 58.28393 23.00561 -2.30669 1.000 6.92260 O ? A ? 59 O 1
   ATOM 1841 H . GLU A 59 ? 56.81270 20.68591 -5.42195 1.000 5.53609 H ? A ? 59 H 1
   ATOM 1842 HA . GLU A 59 ? 57.55867 20.72964 -2.88491 1.000 6.06283 H ? A ? 59 HA 1
   ATOM 1843 CB A GLU A 59 ? 58.99421 20.63216 -4.30879 0.368 6.61322 C ? A ? 59 CB 1
   ATOM 1844 CG A GLU A 59 ? 59.00937 19.14826 -4.28265 0.368 6.84290 C ? A ? 59 CG 1
   ATOM 1845 CD A GLU A 59 ? 60.27134 18.51433 -4.75720 0.368 7.57494 C ? A ? 59 CD 1
   ATOM 1846 OE1 A GLU A 59 ? 61.12241 19.20167 -5.36404 0.368 9.98717 O ? A ? 59 OE1 1
   ATOM 1847 OE2 A GLU A 59 ? 60.37261 17.27910 -4.62798 0.368 9.59096 O ? A ? 59 OE2 1
   ATOM 1848 HB2 A GLU A 59 ? 59.08537 20.92352 -5.22950 0.368 7.93586 H ? A ? 59 HB2 1
   ATOM 1849 HB3 A GLU A 59 ? 59.74225 20.95572 -3.78282 0.368 7.93586 H ? A ? 59 HB3 1
   ATOM 1850 HG2 A GLU A 59 ? 58.86578 18.85683 -3.36867 0.368 8.21147 H ? A ? 59 HG2 1
   ATOM 1851 HG3 A GLU A 59 ? 58.29250 18.82488 -4.85048 0.368 8.21147 H ? A ? 59 HG3 1
   ATOM 1852 CB B GLU A 59 ? 58.97822 20.60680 -4.36208 0.632 6.59116 C ? A ? 59 CB 1
   ATOM 1853 CG B GLU A 59 ? 58.97071 19.06716 -4.40355 0.632 6.45218 C ? A ? 59 CG 1
   ATOM 1854 CD B GLU A 59 ? 60.01020 18.38195 -5.20599 0.632 7.55065 C ? A ? 59 CD 1
   ATOM 1855 OE1 B GLU A 59 ? 60.82575 19.09588 -5.83169 0.632 8.27980 O ? A ? 59 OE1 1
   ATOM 1856 OE2 B GLU A 59 ? 60.04020 17.11676 -5.19483 0.632 11.33744 O ? A ? 59 OE2 1
   ATOM 1857 HB2 B GLU A 59 ? 59.05823 20.93311 -5.27203 0.632 7.90939 H ? A ? 59 HB2 1
   ATOM 1858 HB3 B GLU A 59 ? 59.74408 20.89117 -3.83911 0.632 7.90939 H ? A ? 59 HB3 1
   ATOM 1859 HG2 B GLU A 59 ? 59.06932 18.74740 -3.49310 0.632 7.74261 H ? A ? 59 HG2 1
   ATOM 1860 HG3 B GLU A 59 ? 58.11466 18.78626 -4.76295 0.632 7.74261 H ? A ? 59 HG3 1
   ATOM 1861 N A GLY A 60 ? 57.51870 23.52354 -4.34897 0.238 5.30158 N ? A ? 60 N 1
   ATOM 1862 CA A GLY A 60 ? 57.72070 24.92564 -4.08091 0.238 5.47779 C ? A ? 60 CA 1
   ATOM 1863 C A GLY A 60 ? 56.62132 25.52586 -3.22394 0.238 3.59190 C ? A ? 60 C 1
   ATOM 1864 O A GLY A 60 ? 56.85283 26.50218 -2.50537 0.238 4.10729 O ? A ? 60 O 1
   ATOM 1865 H A GLY A 60 ? 57.20130 23.33135 -5.12481 0.238 6.36190 H ? A ? 60 H 1
   ATOM 1866 HA2 A GLY A 60 ? 58.56526 25.04350 -3.61860 0.238 6.57335 H ? A ? 60 HA2 1
   ATOM 1867 HA3 A GLY A 60 ? 57.75020 25.40990 -4.92086 0.238 6.57335 H ? A ? 60 HA3 1
   ATOM 1868 N B GLY A 60 ? 57.41456 23.55458 -4.35103 0.269 5.28704 N ? A ? 60 N 1
   ATOM 1869 CA B GLY A 60 ? 57.52534 25.00802 -4.33511 0.269 5.28966 C ? A ? 60 CA 1
   ATOM 1870 C B GLY A 60 ? 56.36906 25.77444 -3.73540 0.269 5.81586 C ? A ? 60 C 1
   ATOM 1871 O B GLY A 60 ? 56.42006 27.01184 -3.71365 0.269 6.50040 O ? A ? 60 O 1
   ATOM 1872 H B GLY A 60 ? 57.03001 23.29962 -5.07679 0.270 6.34445 H ? A ? 60 H 1
   ATOM 1873 HA2 B GLY A 60 ? 58.31946 25.24536 -3.83118 0.270 6.34760 H ? A ? 60 HA2 1
   ATOM 1874 HA3 B GLY A 60 ? 57.62881 25.31354 -5.24991 0.270 6.34760 H ? A ? 60 HA3 1
   ATOM 1875 N C GLY A 60 ? 57.43579 23.52880 -4.32598 0.190 5.28724 N ? A ? 60 N 1
   ATOM 1876 CA C GLY A 60 ? 57.59385 24.94399 -4.09168 0.190 5.57678 C ? A ? 60 CA 1
   ATOM 1877 C C GLY A 60 ? 56.48417 25.63331 -3.34682 0.190 4.27681 C ? A ? 60 C 1
   ATOM 1878 O C GLY A 60 ? 56.67138 26.80202 -2.99046 0.190 4.42953 O ? A ? 60 O 1
   ATOM 1879 H C GLY A 60 ? 57.08066 23.32242 -5.08155 0.190 6.34468 H ? A ? 60 H 1
   ATOM 1880 HA2 C GLY A 60 ? 58.40881 25.07790 -3.58295 0.190 6.69213 H ? A ? 60 HA2 1
   ATOM 1881 HA3 C GLY A 60 ? 57.68174 25.38557 -4.95086 0.190 6.69213 H ? A ? 60 HA3 1
   ATOM 1882 N D GLY A 60 ? 57.40708 23.53326 -4.32419 0.303 5.37969 N ? A ? 60 N 1
   ATOM 1883 CA D GLY A 60 ? 57.55118 24.95759 -4.08960 0.303 5.67254 C ? A ? 60 CA 1
   ATOM 1884 C D GLY A 60 ? 56.43908 25.62459 -3.29038 0.303 4.30324 C ? A ? 60 C 1
   ATOM 1885 O D GLY A 60 ? 56.62268 26.76223 -2.83253 0.303 4.55843 O ? A ? 60 O 1
   ATOM 1886 H D GLY A 60 ? 57.04231 23.32546 -5.07476 0.303 6.45562 H ? A ? 60 H 1
   ATOM 1887 HA2 D GLY A 60 ? 58.38126 25.10550 -3.61003 0.303 6.80704 H ? A ? 60 HA2 1
   ATOM 1888 HA3 D GLY A 60 ? 57.59882 25.40516 -4.94885 0.303 6.80704 H ? A ? 60 HA3 1
   ATOM 1889 N A CYS A 61 ? 55.43216 24.97005 -3.23968 0.238 4.09269 N ? A ? 61 N 1
   ATOM 1890 CA A CYS A 61 ? 54.32101 25.69853 -2.64379 0.238 3.98272 C ? A ? 61 CA 1
   ATOM 1891 C A CYS A 61 ? 54.63480 26.11201 -1.19127 0.238 3.79063 C ? A ? 61 C 1
   ATOM 1892 O A CYS A 61 ? 55.03951 25.25969 -0.38430 0.238 4.65000 O ? A ? 61 O 1
   ATOM 1893 CB A CYS A 61 ? 53.07120 24.82163 -2.65211 0.238 4.07952 C ? A ? 61 CB 1
   ATOM 1894 SG A CYS A 61 ? 51.68262 25.56794 -1.72897 0.238 4.84419 S ? A ? 61 SG 1
   ATOM 1895 H A CYS A 61 ? 55.24144 24.20131 -3.57474 0.238 4.91123 H ? A ? 61 H 1
   ATOM 1896 HA A CYS A 61 ? 54.16445 26.50429 -3.16063 0.238 4.77926 H ? A ? 61 HA 1
   ATOM 1897 HB2 A CYS A 61 ? 52.78535 24.68747 -3.56927 0.238 4.89543 H ? A ? 61 HB2 1
   ATOM 1898 HB3 A CYS A 61 ? 53.28122 23.96813 -2.24184 0.238 4.89543 H ? A ? 61 HB3 1
   ATOM 1899 N B CYS A 61 ? 55.31226 25.09323 -3.26403 0.269 4.29717 N ? A ? 61 N 1
   ATOM 1900 CA B CYS A 61 ? 54.16141 25.77794 -2.67669 0.269 3.67232 C ? A ? 61 CA 1
   ATOM 1901 C B CYS A 61 ? 54.47261 26.15336 -1.22242 0.269 3.77649 C ? A ? 61 C 1
   ATOM 1902 O B CYS A 61 ? 54.75611 25.26248 -0.40068 0.269 4.41186 O ? A ? 61 O 1
   ATOM 1903 CB B CYS A 61 ? 52.92702 24.86469 -2.68835 0.269 4.23029 C ? A ? 61 CB 1
   ATOM 1904 SG B CYS A 61 ? 51.55320 25.66329 -1.74385 0.269 4.42263 S ? A ? 61 SG 1
   ATOM 1905 H B CYS A 61 ? 55.24181 24.23618 -3.27471 0.270 5.15660 H ? A ? 61 H 1
   ATOM 1906 HA B CYS A 61 ? 53.97046 26.57910 -3.18912 0.270 4.40678 H ? A ? 61 HA 1
   ATOM 1907 HB2 B CYS A 61 ? 52.63596 24.71930 -3.60216 0.270 5.07635 H ? A ? 61 HB2 1
   ATOM 1908 HB3 B CYS A 61 ? 53.14326 24.01662 -2.27013 0.270 5.07635 H ? A ? 61 HB3 1
   ATOM 1909 N C CYS A 61 ? 55.31308 24.98960 -3.17743 0.190 4.18988 N ? A ? 61 N 1
   ATOM 1910 CA C CYS A 61 ? 54.14294 25.63802 -2.57267 0.190 4.00553 C ? A ? 61 CA 1
   ATOM 1911 C C CYS A 61 ? 54.46599 26.02156 -1.12922 0.190 3.94836 C ? A ? 61 C 1
   ATOM 1912 O C CYS A 61 ? 54.74719 25.13140 -0.30948 0.190 4.30269 O ? A ? 61 O 1
   ATOM 1913 CB C CYS A 61 ? 52.93816 24.69294 -2.60344 0.190 4.07040 C ? A ? 61 CB 1
   ATOM 1914 SG C CYS A 61 ? 51.43805 25.34499 -1.81073 0.190 3.19966 S ? A ? 61 SG 1
   ATOM 1915 H C CYS A 61 ? 55.17410 24.17256 -3.40706 0.190 5.02785 H ? A ? 61 H 1
   ATOM 1916 HA C CYS A 61 ? 53.91584 26.43684 -3.07388 0.190 4.80663 H ? A ? 61 HA 1
   ATOM 1917 HB2 C CYS A 61 ? 52.71989 24.50263 -3.52921 0.190 4.88448 H ? A ? 61 HB2 1
   ATOM 1918 HB3 C CYS A 61 ? 53.17831 23.87314 -2.14392 0.190 4.88448 H ? A ? 61 HB3 1
   ATOM 1919 N D CYS A 61 ? 55.25120 25.01319 -3.20091 0.303 4.23650 N ? A ? 61 N 1
   ATOM 1920 CA D CYS A 61 ? 54.09628 25.69880 -2.61112 0.303 3.90295 C ? A ? 61 CA 1
   ATOM 1921 C D CYS A 61 ? 54.42410 26.05717 -1.15447 0.303 3.89985 C ? A ? 61 C 1
   ATOM 1922 O D CYS A 61 ? 54.69477 25.15099 -0.34748 0.303 4.27498 O ? A ? 61 O 1
   ATOM 1923 CB D CYS A 61 ? 52.86786 24.78739 -2.65512 0.303 4.14059 C ? A ? 61 CB 1
   ATOM 1924 SG D CYS A 61 ? 51.47218 25.54205 -1.75794 0.303 4.49775 S ? A ? 61 SG 1
   ATOM 1925 H D CYS A 61 ? 55.09116 24.21254 -3.47099 0.303 5.08380 H ? A ? 61 H 1
   ATOM 1926 HA D CYS A 61 ? 53.89586 26.50643 -3.10958 0.303 4.68354 H ? A ? 61 HA 1
   ATOM 1927 HB2 D CYS A 61 ? 52.60245 24.64672 -3.57744 0.303 4.96871 H ? A ? 61 HB2 1
   ATOM 1928 HB3 D CYS A 61 ? 53.08035 23.93793 -2.23780 0.303 4.96871 H ? A ? 61 HB3 1
   ATOM 1929 N A PRO A 62 ? 54.41486 27.37657 -0.80969 0.238 4.58708 N ? A ? 62 N 1
   ATOM 1930 CA A PRO A 62 ? 54.85618 27.80536 0.51710 0.238 4.37229 C ? A ? 62 CA 1
   ATOM 1931 C A PRO A 62 ? 54.06781 27.15030 1.65818 0.238 4.42189 C ? A ? 62 C 1
   ATOM 1932 O A PRO A 62 ? 54.63890 26.92637 2.72965 0.238 5.10151 O ? A ? 62 O 1
   ATOM 1933 CB A PRO A 62 ? 54.65704 29.33061 0.49139 0.238 4.82612 C ? A ? 62 CB 1
   ATOM 1934 CG A PRO A 62 ? 53.61988 29.56634 -0.56417 0.238 4.66566 C ? A ? 62 CG 1
   ATOM 1935 CD A PRO A 62 ? 53.95006 28.52092 -1.62822 0.238 4.63954 C ? A ? 62 CD 1
   ATOM 1936 HA A PRO A 62 ? 55.80056 27.61319 0.62719 0.238 5.24675 H ? A ? 62 HA 1
   ATOM 1937 HB2 A PRO A 62 ? 54.34730 29.63812 1.35765 0.238 5.79135 H ? A ? 62 HB2 1
   ATOM 1938 HB3 A PRO A 62 ? 55.49151 29.76906 0.26263 0.238 5.79135 H ? A ? 62 HB3 1
   ATOM 1939 HG2 A PRO A 62 ? 52.73143 29.42941 -0.19974 0.238 5.59879 H ? A ? 62 HG2 1
   ATOM 1940 HG3 A PRO A 62 ? 53.69822 30.46602 -0.91819 0.238 5.59879 H ? A ? 62 HG3 1
   ATOM 1941 HD2 A PRO A 62 ? 53.16225 28.28525 -2.14273 0.238 5.56745 H ? A ? 62 HD2 1
   ATOM 1942 HD3 A PRO A 62 ? 54.65142 28.83458 -2.22035 0.238 5.56745 H ? A ? 62 HD3 1
   ATOM 1943 N B PRO A 62 ? 54.35054 27.43148 -0.84913 0.269 4.68241 N ? A ? 62 N 1
   ATOM 1944 CA B PRO A 62 ? 54.82562 27.84598 0.46999 0.269 4.13760 C ? A ? 62 CA 1
   ATOM 1945 C B PRO A 62 ? 54.05729 27.19267 1.63102 0.269 4.48207 C ? A ? 62 C 1
   ATOM 1946 O B PRO A 62 ? 54.63720 27.01229 2.70040 0.269 5.05032 O ? A ? 62 O 1
   ATOM 1947 CB B PRO A 62 ? 54.63191 29.37191 0.45811 0.269 4.83321 C ? A ? 62 CB 1
   ATOM 1948 CG B PRO A 62 ? 53.57787 29.60414 -0.57721 0.269 4.63896 C ? A ? 62 CG 1
   ATOM 1949 CD B PRO A 62 ? 53.92746 28.59029 -1.66482 0.269 4.60821 C ? A ? 62 CD 1
   ATOM 1950 HA B PRO A 62 ? 55.77020 27.64247 0.55519 0.270 4.96512 H ? A ? 62 HA 1
   ATOM 1951 HB2 B PRO A 62 ? 54.33777 29.67675 1.33072 0.270 5.79985 H ? A ? 62 HB2 1
   ATOM 1952 HB3 B PRO A 62 ? 55.46232 29.81083 0.21591 0.270 5.79985 H ? A ? 62 HB3 1
   ATOM 1953 HG2 B PRO A 62 ? 52.69745 29.43522 -0.20676 0.270 5.56675 H ? A ? 62 HG2 1
   ATOM 1954 HG3 B PRO A 62 ? 53.62798 30.51302 -0.91236 0.270 5.56675 H ? A ? 62 HG3 1
   ATOM 1955 HD2 B PRO A 62 ? 53.15415 28.37557 -2.20960 0.270 5.52985 H ? A ? 62 HD2 1
   ATOM 1956 HD3 B PRO A 62 ? 54.65068 28.90992 -2.22668 0.270 5.52985 H ? A ? 62 HD3 1
   ATOM 1957 N C PRO A 62 ? 54.44174 27.30101 -0.76737 0.190 4.45480 N ? A ? 62 N 1
   ATOM 1958 CA C PRO A 62 ? 54.92370 27.66747 0.56837 0.190 4.64652 C ? A ? 62 CA 1
   ATOM 1959 C C PRO A 62 ? 54.08504 27.06314 1.69667 0.190 4.32406 C ? A ? 62 C 1
   ATOM 1960 O C PRO A 62 ? 54.62710 26.78504 2.77975 0.190 5.11028 O ? A ? 62 O 1
   ATOM 1961 CB C PRO A 62 ? 54.85943 29.20159 0.55831 0.190 4.59023 C ? A ? 62 CB 1
   ATOM 1962 CG C PRO A 62 ? 53.87082 29.54138 -0.54585 0.190 4.92796 C ? A ? 62 CG 1
   ATOM 1963 CD C PRO A 62 ? 54.10845 28.48088 -1.59537 0.190 4.63359 C ? A ? 62 CD 1
   ATOM 1964 HA C PRO A 62 ? 55.84809 27.39445 0.67738 0.190 5.57583 H ? A ? 62 HA 1
   ATOM 1965 HB2 C PRO A 62 ? 54.54632 29.52539 1.41739 0.190 5.50827 H ? A ? 62 HB2 1
   ATOM 1966 HB3 C PRO A 62 ? 55.73638 29.56836 0.36509 0.190 5.50827 H ? A ? 62 HB3 1
   ATOM 1967 HG2 C PRO A 62 ? 52.96330 29.49961 -0.20590 0.190 5.91355 H ? A ? 62 HG2 1
   ATOM 1968 HG3 C PRO A 62 ? 54.05333 30.42721 -0.89641 0.190 5.91355 H ? A ? 62 HG3 1
   ATOM 1969 HD2 C PRO A 62 ? 53.30951 28.32452 -2.12276 0.190 5.56031 H ? A ? 62 HD2 1
   ATOM 1970 HD3 C PRO A 62 ? 54.84732 28.72167 -2.17587 0.190 5.56031 H ? A ? 62 HD3 1
   ATOM 1971 N D PRO A 62 ? 54.39316 27.32179 -0.75916 0.303 4.47289 N ? A ? 62 N 1
   ATOM 1972 CA D PRO A 62 ? 54.92511 27.65618 0.56170 0.303 4.71365 C ? A ? 62 CA 1
   ATOM 1973 C D PRO A 62 ? 54.09000 27.04333 1.70097 0.303 4.31494 C ? A ? 62 C 1
   ATOM 1974 O D PRO A 62 ? 54.63199 26.78367 2.79823 0.303 5.09713 O ? A ? 62 O 1
   ATOM 1975 CB D PRO A 62 ? 54.87258 29.18701 0.57923 0.303 4.52916 C ? A ? 62 CB 1
   ATOM 1976 CG D PRO A 62 ? 53.86727 29.55638 -0.53687 0.303 4.93185 C ? A ? 62 CG 1
   ATOM 1977 CD D PRO A 62 ? 54.10620 28.50672 -1.60135 0.303 4.62224 C ? A ? 62 CD 1
   ATOM 1978 HA D PRO A 62 ? 55.84865 27.37123 0.64403 0.303 5.65638 H ? A ? 62 HA 1
   ATOM 1979 HB2 D PRO A 62 ? 54.56289 29.49831 1.44414 0.303 5.43499 H ? A ? 62 HB2 1
   ATOM 1980 HB3 D PRO A 62 ? 55.75167 29.55116 0.39086 0.303 5.43499 H ? A ? 62 HB3 1
   ATOM 1981 HG2 D PRO A 62 ? 52.95934 29.51246 -0.19831 0.303 5.91822 H ? A ? 62 HG2 1
   ATOM 1982 HG3 D PRO A 62 ? 54.05289 30.44672 -0.87411 0.303 5.91822 H ? A ? 62 HG3 1
   ATOM 1983 HD2 D PRO A 62 ? 53.31730 28.37044 -2.14904 0.303 5.54669 H ? A ? 62 HD2 1
   ATOM 1984 HD3 D PRO A 62 ? 54.86386 28.73570 -2.16209 0.303 5.54669 H ? A ? 62 HD3 1
   ATOM 1985 N . THR A 63 ? 52.77290 26.87693 1.46661 1.000 4.72987 N ? A ? 63 N 1
   ATOM 1986 CA . THR A 63 ? 51.85873 26.43806 2.50993 1.000 4.97825 C ? A ? 63 CA 1
   ATOM 1987 C . THR A 63 ? 51.48972 24.95696 2.35746 1.000 5.23090 C ? A ? 63 C 1
   ATOM 1988 O . THR A 63 ? 50.54766 24.48750 3.04033 1.000 5.76922 O ? A ? 63 O 1
   ATOM 1989 HA . THR A 63 ? 52.28351 26.53321 3.37677 1.000 5.97390 H ? A ? 63 HA 1
   ATOM 1990 CB A THR A 63 ? 50.62147 27.33850 2.54256 0.762 6.12526 C ? A ? 63 CB 1
   ATOM 1991 OG1 A THR A 63 ? 50.16990 27.53503 1.20838 0.762 5.80571 O ? A ? 63 OG1 1
   ATOM 1992 CG2 A THR A 63 ? 50.98511 28.68332 3.15413 0.762 6.56058 C ? A ? 63 CG2 1
   ATOM 1993 H A THR A 63 ? 52.38740 26.94343 0.70073 0.238 5.67585 H ? A ? 63 H 1
   ATOM 1994 HB A THR A 63 ? 49.91665 26.93548 3.07332 0.762 7.35032 H ? A ? 63 HB 1
   ATOM 1995 HG1 A THR A 63 ? 50.74988 27.95308 0.76741 0.762 6.96685 H ? A ? 63 HG1 1
   ATOM 1996 HG21 A THR A 63 ? 50.20189 29.25449 3.18918 0.762 7.87269 H ? A ? 63 HG21 1
   ATOM 1997 HG22 A THR A 63 ? 51.32365 28.55769 4.05441 0.762 7.87269 H ? A ? 63 HG22 1
   ATOM 1998 HG23 A THR A 63 ? 51.66766 29.11750 2.61888 0.762 7.87269 H ? A ? 63 HG23 1
   ATOM 1999 CB B THR A 63 ? 50.57942 27.28455 2.50510 0.238 6.18213 C ? A ? 63 CB 1
   ATOM 2000 OG1 B THR A 63 ? 49.95841 27.10879 1.22658 0.238 6.76865 O ? A ? 63 OG1 1
   ATOM 2001 CG2 B THR A 63 ? 50.91046 28.76977 2.81775 0.238 6.93825 C ? A ? 63 CG2 1
   ATOM 2002 H B THR A 63 ? 52.38236 26.91295 0.70124 0.270 5.67585 H ? A ? 63 H 1
   ATOM 2003 HB B THR A 63 ? 49.95344 27.01218 3.19421 0.238 7.41855 H ? A ? 63 HB 1
   ATOM 2004 HG1 B THR A 63 ? 49.25156 27.56080 1.18595 0.238 8.12237 H ? A ? 63 HG1 1
   ATOM 2005 HG21 B THR A 63 ? 50.09162 29.28584 2.88163 0.238 8.32590 H ? A ? 63 HG21 1
   ATOM 2006 HG22 B THR A 63 ? 51.38887 28.83301 3.65919 0.238 8.32590 H ? A ? 63 HG22 1
   ATOM 2007 HG23 B THR A 63 ? 51.46298 29.14203 2.11273 0.238 8.32590 H ? A ? 63 HG23 1
   ATOM 2008 H C THR A 63 ? 52.39551 27.00223 0.70406 0.190 5.67585 H ? A ? 63 H 1
   ATOM 2009 H D THR A 63 ? 52.39500 27.01497 0.70652 0.303 5.67585 H ? A ? 63 H 1
   ATOM 2010 N A ASP A 64 ? 52.20039 24.20359 1.50715 0.254 4.37692 N ? A ? 64 N 1
   ATOM 2011 CA A ASP A 64 ? 51.94303 22.77296 1.34687 0.254 4.78842 C ? A ? 64 CA 1
   ATOM 2012 C A ASP A 64 ? 50.48883 22.49725 0.94735 0.254 4.53576 C ? A ? 64 C 1
   ATOM 2013 O A ASP A 64 ? 49.92965 21.43158 1.24813 0.254 4.92953 O ? A ? 64 O 1
   ATOM 2014 CB A ASP A 64 ? 52.31576 21.97470 2.58565 0.254 5.41662 C ? A ? 64 CB 1
   ATOM 2015 CG A ASP A 64 ? 53.78554 22.12911 2.95804 0.254 5.67655 C ? A ? 64 CG 1
   ATOM 2016 OD1 A ASP A 64 ? 54.60754 22.67119 2.17383 0.254 7.38815 O ? A ? 64 OD1 1
   ATOM 2017 OD2 A ASP A 64 ? 54.17965 21.66445 4.04222 0.254 9.25406 O ? A ? 64 OD2 1
   ATOM 2018 H A ASP A 64 ? 52.83740 24.50256 1.01275 0.254 5.25230 H ? A ? 64 H 1
   ATOM 2019 HA A ASP A 64 ? 52.51005 22.45817 0.62556 0.254 5.74610 H ? A ? 64 HA 1
   ATOM 2020 HB2 A ASP A 64 ? 51.78148 22.28298 3.33425 0.254 6.49994 H ? A ? 64 HB2 1
   ATOM 2021 HB3 A ASP A 64 ? 52.14416 21.03438 2.42054 0.254 6.49994 H ? A ? 64 HB3 1
   ATOM 2022 N B ASP A 64 ? 52.19970 24.20689 1.49902 0.463 4.35701 N ? A ? 64 N 1
   ATOM 2023 CA B ASP A 64 ? 51.92188 22.78561 1.37034 0.463 4.79617 C ? A ? 64 CA 1
   ATOM 2024 C B ASP A 64 ? 50.45028 22.55626 1.00042 0.463 4.47370 C ? A ? 64 C 1
   ATOM 2025 O B ASP A 64 ? 49.82326 21.59330 1.40945 0.463 5.19304 O ? A ? 64 O 1
   ATOM 2026 CB B ASP A 64 ? 52.29052 22.03961 2.63183 0.463 5.49146 C ? A ? 64 CB 1
   ATOM 2027 CG B ASP A 64 ? 53.76529 22.14092 2.94626 0.463 5.59634 C ? A ? 64 CG 1
   ATOM 2028 OD1 B ASP A 64 ? 54.63254 21.89163 2.04482 0.463 7.61860 O ? A ? 64 OD1 1
   ATOM 2029 OD2 B ASP A 64 ? 54.08399 22.49468 4.11280 0.463 6.61750 O ? A ? 64 OD2 1
   ATOM 2030 H B ASP A 64 ? 52.83175 24.50090 0.99537 0.463 5.22841 H ? A ? 64 H 1
   ATOM 2031 HA B ASP A 64 ? 52.46507 22.42435 0.65247 0.463 5.75541 H ? A ? 64 HA 1
   ATOM 2032 HB2 B ASP A 64 ? 51.79616 22.41308 3.37817 0.463 6.58976 H ? A ? 64 HB2 1
   ATOM 2033 HB3 B ASP A 64 ? 52.06859 21.10163 2.52301 0.463 6.58976 H ? A ? 64 HB3 1
   ATOM 2034 N C ASP A 64 ? 52.20335 24.21636 1.49234 0.283 4.36179 N ? A ? 64 N 1
   ATOM 2035 CA C ASP A 64 ? 51.99834 22.77305 1.31486 0.283 4.72177 C ? A ? 64 CA 1
   ATOM 2036 C C ASP A 64 ? 50.54690 22.44417 0.90572 0.283 4.52795 C ? A ? 64 C 1
   ATOM 2037 O C ASP A 64 ? 50.07074 21.30518 1.13209 0.283 4.40548 O ? A ? 64 O 1
   ATOM 2038 CB C ASP A 64 ? 52.50554 21.94312 2.49822 0.283 4.89270 C ? A ? 64 CB 1
   ATOM 2039 CG C ASP A 64 ? 54.00235 22.11384 2.72557 0.283 5.92595 C ? A ? 64 CG 1
   ATOM 2040 OD1 C ASP A 64 ? 54.73534 21.66463 1.82327 0.283 6.92325 O ? A ? 64 OD1 1
   ATOM 2041 OD2 C ASP A 64 ? 54.43277 22.68008 3.76742 0.283 4.97286 O ? A ? 64 OD2 1
   ATOM 2042 H C ASP A 64 ? 52.82299 24.53583 0.98877 0.283 5.23414 H ? A ? 64 H 1
   ATOM 2043 HA C ASP A 64 ? 52.54891 22.48345 0.57062 0.283 5.66612 H ? A ? 64 HA 1
   ATOM 2044 HB2 C ASP A 64 ? 52.04401 22.22351 3.30400 0.283 5.87124 H ? A ? 64 HB2 1
   ATOM 2045 HB3 C ASP A 64 ? 52.33161 21.00455 2.32583 0.283 5.87124 H ? A ? 64 HB3 1
   ATOM 2046 N . SER A 65 ? 49.89647 23.43618 0.18409 1.000 4.38401 N ? A ? 65 N 1
   ATOM 2047 CA . SER A 65 ? 48.50787 23.33166 -0.21107 1.000 4.29876 C ? A ? 65 CA 1
   ATOM 2048 C . SER A 65 ? 48.30444 22.40483 -1.39134 1.000 4.25107 C ? A ? 65 C 1
   ATOM 2049 O . SER A 65 ? 47.18944 21.83654 -1.55116 1.000 5.53649 O ? A ? 65 O 1
   ATOM 2050 HA . SER A 65 ? 48.01231 22.97733 0.54377 1.000 5.15851 H ? A ? 65 HA 1
   ATOM 2051 CB A SER A 65 ? 47.94026 24.73930 -0.57051 0.741 4.74964 C ? A ? 65 CB 1
   ATOM 2052 OG A SER A 65 ? 48.13847 25.69520 0.46133 0.741 4.70908 O ? A ? 65 OG 1
   ATOM 2053 H A SER A 65 ? 50.29040 24.14097 -0.11203 0.254 5.26081 H ? A ? 65 H 1
   ATOM 2054 HB2 A SER A 65 ? 48.38609 25.05512 -1.37201 0.741 5.69957 H ? A ? 65 HB2 1
   ATOM 2055 HB3 A SER A 65 ? 46.98761 24.65456 -0.73230 0.741 5.69957 H ? A ? 65 HB3 1
   ATOM 2056 HG A SER A 65 ? 48.17942 25.30940 1.20637 0.741 5.65089 H ? A ? 65 HG 1
   ATOM 2057 CB B SER A 65 ? 47.93575 24.69047 -0.57199 0.259 4.84437 C ? A ? 65 CB 1
   ATOM 2058 OG B SER A 65 ? 47.71084 25.37600 0.61965 0.259 6.25245 O ? A ? 65 OG 1
   ATOM 2059 H B SER A 65 ? 50.30933 24.10902 -0.15712 0.463 5.26081 H ? A ? 65 H 1
   ATOM 2060 HB2 B SER A 65 ? 48.56942 25.18008 -1.11938 0.259 5.81324 H ? A ? 65 HB2 1
   ATOM 2061 HB3 B SER A 65 ? 47.09975 24.57940 -1.05121 0.259 5.81324 H ? A ? 65 HB3 1
   ATOM 2062 HG B SER A 65 ? 48.43436 25.47605 1.03451 0.259 7.50294 H ? A ? 65 HG 1
   ATOM 2063 H C SER A 65 ? 50.26910 24.16759 -0.07238 0.283 5.26081 H ? A ? 65 H 1
   ATOM 2064 N A ILE A 66 ? 49.28298 22.27632 -2.26120 0.419 4.13758 N ? A ? 66 N 1
   ATOM 2065 CA A ILE A 66 ? 49.19374 21.28785 -3.31454 0.419 3.84139 C ? A ? 66 CA 1
   ATOM 2066 C A ILE A 66 ? 49.49272 19.91993 -2.72379 0.419 3.89180 C ? A ? 66 C 1
   ATOM 2067 O A ILE A 66 ? 50.42176 19.74384 -1.91516 0.419 3.13559 O ? A ? 66 O 1
   ATOM 2068 CB A ILE A 66 ? 50.11782 21.65284 -4.48180 0.419 3.83535 C ? A ? 66 CB 1
   ATOM 2069 CG1 A ILE A 66 ? 49.52904 22.88760 -5.15019 0.419 4.66292 C ? A ? 66 CG1 1
   ATOM 2070 CG2 A ILE A 66 ? 50.17412 20.46446 -5.45821 0.419 3.97183 C ? A ? 66 CG2 1
   ATOM 2071 CD1 A ILE A 66 ? 50.38244 23.57609 -6.16252 0.419 5.48167 C ? A ? 66 CD1 1
   ATOM 2072 H A ILE A 66 ? 50.00395 22.74515 -2.26395 0.419 4.96509 H ? A ? 66 H 1
   ATOM 2073 HA A ILE A 66 ? 48.29216 21.26429 -3.67160 0.419 4.60967 H ? A ? 66 HA 1
   ATOM 2074 HB A ILE A 66 ? 51.02107 21.84231 -4.18321 0.419 4.60242 H ? A ? 66 HB 1
   ATOM 2075 HG12 A ILE A 66 ? 48.71192 22.62369 -5.60137 0.419 5.59550 H ? A ? 66 HG12 1
   ATOM 2076 HG13 A ILE A 66 ? 49.33076 23.53766 -4.45808 0.419 5.59550 H ? A ? 66 HG13 1
   ATOM 2077 HG21 A ILE A 66 ? 50.52353 20.77141 -6.30944 0.419 4.76619 H ? A ? 66 HG21 1
   ATOM 2078 HG22 A ILE A 66 ? 50.75458 19.78021 -5.08974 0.419 4.76619 H ? A ? 66 HG22 1
   ATOM 2079 HG23 A ILE A 66 ? 49.27889 20.11023 -5.57648 0.419 4.76619 H ? A ? 66 HG23 1
   ATOM 2080 HD11 A ILE A 66 ? 49.90802 24.35172 -6.50049 0.419 6.57801 H ? A ? 66 HD11 1
   ATOM 2081 HD12 A ILE A 66 ? 51.21115 23.85290 -5.74119 0.419 6.57801 H ? A ? 66 HD12 1
   ATOM 2082 HD13 A ILE A 66 ? 50.56991 22.96074 -6.88853 0.419 6.57801 H ? A ? 66 HD13 1
   ATOM 2083 N C ILE A 66 ? 49.31224 22.24591 -2.24066 0.045 4.12836 N ? A ? 66 N 1
   ATOM 2084 CA C ILE A 66 ? 49.22577 21.28710 -3.33292 0.045 3.85205 C ? A ? 66 CA 1
   ATOM 2085 C C ILE A 66 ? 49.52722 19.90014 -2.78889 0.045 3.93291 C ? A ? 66 C 1
   ATOM 2086 O C ILE A 66 ? 50.52337 19.69272 -2.08187 0.045 4.01734 O ? A ? 66 O 1
   ATOM 2087 CB C ILE A 66 ? 50.17741 21.66410 -4.47581 0.045 3.81539 C ? A ? 66 CB 1
   ATOM 2088 CG1 C ILE A 66 ? 49.73423 22.98997 -5.08712 0.045 4.10932 C ? A ? 66 CG1 1
   ATOM 2089 CG2 C ILE A 66 ? 50.20258 20.55938 -5.52569 0.045 3.94723 C ? A ? 66 CG2 1
   ATOM 2090 CD1 C ILE A 66 ? 50.66792 23.50977 -6.14552 0.045 4.42850 C ? A ? 66 CD1 1
   ATOM 2091 H C ILE A 66 ? 50.05385 22.67993 -2.20550 0.045 4.95403 H ? A ? 66 H 1
   ATOM 2092 HA C ILE A 66 ? 48.32346 21.28783 -3.68891 0.045 4.62246 H ? A ? 66 HA 1
   ATOM 2093 HB C ILE A 66 ? 51.07639 21.76662 -4.12619 0.045 4.57847 H ? A ? 66 HB 1
   ATOM 2094 HG12 C ILE A 66 ? 48.86211 22.86983 -5.49441 0.045 4.93118 H ? A ? 66 HG12 1
   ATOM 2095 HG13 C ILE A 66 ? 49.68306 23.65622 -4.38399 0.045 4.93118 H ? A ? 66 HG13 1
   ATOM 2096 HG21 C ILE A 66 ? 50.70137 20.86890 -6.29790 0.045 4.73667 H ? A ? 66 HG21 1
   ATOM 2097 HG22 C ILE A 66 ? 50.63034 19.77481 -5.14837 0.045 4.73667 H ? A ? 66 HG22 1
   ATOM 2098 HG23 C ILE A 66 ? 49.29169 20.34778 -5.78336 0.045 4.73667 H ? A ? 66 HG23 1
   ATOM 2099 HD11 C ILE A 66 ? 50.45988 24.44090 -6.32053 0.045 5.31420 H ? A ? 66 HD11 1
   ATOM 2100 HD12 C ILE A 66 ? 51.58107 23.42879 -5.82852 0.045 5.31420 H ? A ? 66 HD12 1
   ATOM 2101 HD13 C ILE A 66 ? 50.55094 22.98706 -6.95421 0.045 5.31420 H ? A ? 66 HD13 1
   ATOM 2102 N D ILE A 66 ? 49.31344 22.23985 -2.24832 0.536 4.16769 N ? A ? 66 N 1
   ATOM 2103 CA D ILE A 66 ? 49.25217 21.28006 -3.34351 0.536 3.87770 C ? A ? 66 CA 1
   ATOM 2104 C D ILE A 66 ? 49.54734 19.89187 -2.78982 0.536 3.95250 C ? A ? 66 C 1
   ATOM 2105 O D ILE A 66 ? 50.59544 19.65232 -2.16273 0.536 4.36416 O ? A ? 66 O 1
   ATOM 2106 CB D ILE A 66 ? 50.23234 21.67300 -4.46493 0.536 3.75688 C ? A ? 66 CB 1
   ATOM 2107 CG1 D ILE A 66 ? 49.80779 23.00222 -5.06114 0.536 4.27839 C ? A ? 66 CG1 1
   ATOM 2108 CG2 D ILE A 66 ? 50.39943 20.57681 -5.52445 0.536 4.00776 C ? A ? 66 CG2 1
   ATOM 2109 CD1 D ILE A 66 ? 50.78766 23.56928 -6.09710 0.536 4.14719 C ? A ? 66 CD1 1
   ATOM 2110 H D ILE A 66 ? 50.05228 22.67863 -2.21387 0.536 5.00123 H ? A ? 66 H 1
   ATOM 2111 HA D ILE A 66 ? 48.35922 21.26996 -3.72223 0.536 4.65324 H ? A ? 66 HA 1
   ATOM 2112 HB D ILE A 66 ? 51.11360 21.77597 -4.07289 0.536 4.50826 H ? A ? 66 HB 1
   ATOM 2113 HG12 D ILE A 66 ? 48.95070 22.88554 -5.50010 0.536 5.13407 H ? A ? 66 HG12 1
   ATOM 2114 HG13 D ILE A 66 ? 49.72817 23.65188 -4.34525 0.536 5.13407 H ? A ? 66 HG13 1
   ATOM 2115 HG21 D ILE A 66 ? 50.94243 20.92017 -6.25119 0.536 4.80931 H ? A ? 66 HG21 1
   ATOM 2116 HG22 D ILE A 66 ? 50.83481 19.81024 -5.11982 0.536 4.80931 H ? A ? 66 HG22 1
   ATOM 2117 HG23 D ILE A 66 ? 49.52426 20.32285 -5.85684 0.536 4.80931 H ? A ? 66 HG23 1
   ATOM 2118 HD11 D ILE A 66 ? 50.51503 24.47074 -6.32934 0.536 4.97662 H ? A ? 66 HD11 1
   ATOM 2119 HD12 D ILE A 66 ? 51.67916 23.58141 -5.71503 0.536 4.97662 H ? A ? 66 HD12 1
   ATOM 2120 HD13 D ILE A 66 ? 50.77375 23.00577 -6.88651 0.536 4.97662 H ? A ? 66 HD13 1
   ATOM 2121 N . LYS A 67 ? 48.66083 18.95155 -3.11824 1.000 3.61631 N ? A ? 67 N 1
   ATOM 2122 CA . LYS A 67 ? 48.80062 17.56535 -2.72013 1.000 3.58200 C ? A ? 67 CA 1
   ATOM 2123 C . LYS A 67 ? 49.08766 16.73948 -3.98131 1.000 3.85191 C ? A ? 67 C 1
   ATOM 2124 O . LYS A 67 ? 48.62172 17.07160 -5.08632 1.000 4.31652 O ? A ? 67 O 1
   ATOM 2125 HA . LYS A 67 ? 49.50779 17.49101 -2.06036 1.000 4.29840 H ? A ? 67 HA 1
   ATOM 2126 CB A LYS A 67 ? 47.55548 17.03697 -1.94566 0.498 3.42848 C ? A ? 67 CB 1
   ATOM 2127 CG A LYS A 67 ? 46.97768 18.05421 -0.99248 0.498 5.70460 C ? A ? 67 CG 1
   ATOM 2128 CD A LYS A 67 ? 47.92980 18.43441 0.12540 0.498 4.48464 C ? A ? 67 CD 1
   ATOM 2129 CE A LYS A 67 ? 47.02937 19.25786 1.14358 0.498 4.67682 C ? A ? 67 CE 1
   ATOM 2130 NZ A LYS A 67 ? 47.95629 19.53683 2.23954 0.498 5.95189 N ? A ? 67 NZ 1
   ATOM 2131 H A LYS A 67 ? 47.98674 19.08668 -3.63491 0.419 4.33957 H ? A ? 67 H 1
   ATOM 2132 HB2 A LYS A 67 ? 46.86517 16.79947 -2.58439 0.498 4.11417 H ? A ? 67 HB2 1
   ATOM 2133 HB3 A LYS A 67 ? 47.81331 16.25666 -1.43035 0.498 4.11417 H ? A ? 67 HB3 1
   ATOM 2134 HG2 A LYS A 67 ? 46.76112 18.86065 -1.48609 0.498 6.84552 H ? A ? 67 HG2 1
   ATOM 2135 HG3 A LYS A 67 ? 46.17585 17.68712 -0.58848 0.498 6.84552 H ? A ? 67 HG3 1
   ATOM 2136 HD2 A LYS A 67 ? 48.28990 17.64537 0.55973 0.498 5.38157 H ? A ? 67 HD2 1
   ATOM 2137 HD3 A LYS A 67 ? 48.65274 18.98951 -0.20646 0.498 5.38157 H ? A ? 67 HD3 1
   ATOM 2138 HE2 A LYS A 67 ? 46.71182 20.08413 0.74691 0.498 5.61218 H ? A ? 67 HE2 1
   ATOM 2139 HE3 A LYS A 67 ? 46.27829 18.73072 1.45808 0.498 5.61218 H ? A ? 67 HE3 1
   ATOM 2140 HZ1 A LYS A 67 ? 47.96349 18.85612 2.81285 0.498 7.14227 H ? A ? 67 HZ1 1
   ATOM 2141 HZ2 A LYS A 67 ? 48.77870 19.65423 1.92023 0.498 7.14227 H ? A ? 67 HZ2 1
   ATOM 2142 HZ3 A LYS A 67 ? 47.70557 20.27436 2.66999 0.498 7.14227 H ? A ? 67 HZ3 1
   ATOM 2143 CB B LYS A 67 ? 47.49628 17.03474 -2.15507 0.502 5.26326 C ? A ? 67 CB 1
   ATOM 2144 CG B LYS A 67 ? 46.84040 17.89040 -1.10318 0.502 6.17538 C ? A ? 67 CG 1
   ATOM 2145 CD B LYS A 67 ? 47.78754 17.98267 0.07633 0.502 7.83377 C ? A ? 67 CD 1
   ATOM 2146 CE B LYS A 67 ? 47.32592 18.90890 1.24172 0.502 5.62231 C ? A ? 67 CE 1
   ATOM 2147 NZ B LYS A 67 ? 48.36171 19.29094 2.30519 0.502 6.57173 N ? A ? 67 NZ 1
   ATOM 2148 HB2 B LYS A 67 ? 46.86435 16.94221 -2.88514 0.502 6.31591 H ? A ? 67 HB2 1
   ATOM 2149 HB3 B LYS A 67 ? 47.66906 16.16858 -1.75406 0.502 6.31591 H ? A ? 67 HB3 1
   ATOM 2150 HG2 B LYS A 67 ? 46.67431 18.78059 -1.45086 0.502 7.41045 H ? A ? 67 HG2 1
   ATOM 2151 HG3 B LYS A 67 ? 46.00729 17.48641 -0.81401 0.502 7.41045 H ? A ? 67 HG3 1
   ATOM 2152 HD2 B LYS A 67 ? 47.90323 17.09307 0.44530 0.502 9.40052 H ? A ? 67 HD2 1
   ATOM 2153 HD3 B LYS A 67 ? 48.63841 18.32333 -0.24128 0.502 9.40052 H ? A ? 67 HD3 1
   ATOM 2154 HE2 B LYS A 67 ? 47.00786 19.73872 0.85294 0.502 6.74677 H ? A ? 67 HE2 1
   ATOM 2155 HE3 B LYS A 67 ? 46.60188 18.46163 1.70714 0.502 6.74677 H ? A ? 67 HE3 1
   ATOM 2156 HZ1 B LYS A 67 ? 48.39878 20.17613 2.38986 0.502 7.88608 H ? A ? 67 HZ1 1
   ATOM 2157 HZ2 B LYS A 67 ? 48.13815 18.93486 3.08961 0.502 7.88608 H ? A ? 67 HZ2 1
   ATOM 2158 HZ3 B LYS A 67 ? 49.16526 18.98942 2.06962 0.502 7.88608 H ? A ? 67 HZ3 1
   ATOM 2159 H C LYS A 67 ? 47.95699 19.09592 -3.59085 0.045 4.33957 H ? A ? 67 H 1
   ATOM 2160 H D LYS A 67 ? 47.95342 19.10194 -3.58359 0.536 4.33957 H ? A ? 67 H 1
   ATOM 2161 N A VAL A 68 ? 49.83418 15.64112 -3.79140 0.347 3.89017 N ? A ? 68 N 1
   ATOM 2162 CA A VAL A 68 ? 50.19203 14.68149 -4.84830 0.347 3.79460 C ? A ? 68 CA 1
   ATOM 2163 C A VAL A 68 ? 50.02115 13.29023 -4.27702 0.347 4.06339 C ? A ? 68 C 1
   ATOM 2164 O A VAL A 68 ? 50.50534 13.00290 -3.18014 0.347 2.55403 O ? A ? 68 O 1
   ATOM 2165 CB A VAL A 68 ? 51.64794 14.89697 -5.35139 0.347 4.74523 C ? A ? 68 CB 1
   ATOM 2166 CG1 A VAL A 68 ? 52.18051 13.66495 -6.07462 0.347 6.18115 C ? A ? 68 CG1 1
   ATOM 2167 CG2 A VAL A 68 ? 51.72155 16.23125 -6.16031 0.347 3.78078 C ? A ? 68 CG2 1
   ATOM 2168 H A VAL A 68 ? 50.15884 15.42106 -3.02605 0.347 4.66820 H ? A ? 68 H 1
   ATOM 2169 HA A VAL A 68 ? 49.59551 14.78238 -5.60652 0.347 4.55352 H ? A ? 68 HA 1
   ATOM 2170 HB A VAL A 68 ? 52.25903 15.00148 -4.60538 0.347 5.69428 H ? A ? 68 HB 1
   ATOM 2171 HG11 A VAL A 68 ? 52.96499 13.91445 -6.58769 0.347 7.41738 H ? A ? 68 HG11 1
   ATOM 2172 HG12 A VAL A 68 ? 52.41528 12.99037 -5.41833 0.347 7.41738 H ? A ? 68 HG12 1
   ATOM 2173 HG13 A VAL A 68 ? 51.49219 13.32449 -6.66724 0.347 7.41738 H ? A ? 68 HG13 1
   ATOM 2174 HG21 A VAL A 68 ? 52.62981 16.35964 -6.47571 0.347 4.53694 H ? A ? 68 HG21 1
   ATOM 2175 HG22 A VAL A 68 ? 51.11401 16.17722 -6.91455 0.347 4.53694 H ? A ? 68 HG22 1
   ATOM 2176 HG23 A VAL A 68 ? 51.46548 16.96614 -5.58128 0.347 4.53694 H ? A ? 68 HG23 1
   ATOM 2177 N B VAL A 68 ? 49.87355 15.66959 -3.79219 0.439 3.89805 N ? A ? 68 N 1
   ATOM 2178 CA B VAL A 68 ? 50.20225 14.66519 -4.80880 0.439 3.84521 C ? A ? 68 CA 1
   ATOM 2179 C B VAL A 68 ? 49.97779 13.30142 -4.21145 0.439 4.06688 C ? A ? 68 C 1
   ATOM 2180 O B VAL A 68 ? 50.21162 13.06230 -3.01185 0.439 4.45429 O ? A ? 68 O 1
   ATOM 2181 CB B VAL A 68 ? 51.68168 14.81217 -5.26835 0.439 4.67373 C ? A ? 68 CB 1
   ATOM 2182 CG1 B VAL A 68 ? 52.16241 13.62510 -6.08420 0.439 6.27264 C ? A ? 68 CG1 1
   ATOM 2183 CG2 B VAL A 68 ? 51.82873 16.16186 -5.98335 0.439 4.07981 C ? A ? 68 CG2 1
   ATOM 2184 H B VAL A 68 ? 50.24894 15.49586 -3.03821 0.438 4.67767 H ? A ? 68 H 1
   ATOM 2185 HA B VAL A 68 ? 49.61977 14.76493 -5.57799 0.438 4.61426 H ? A ? 68 HA 1
   ATOM 2186 HB B VAL A 68 ? 52.27432 14.80917 -4.50045 0.438 5.60847 H ? A ? 68 HB 1
   ATOM 2187 HG11 B VAL A 68 ? 52.98107 13.86865 -6.54397 0.438 7.52717 H ? A ? 68 HG11 1
   ATOM 2188 HG12 B VAL A 68 ? 52.32763 12.87815 -5.48782 0.438 7.52717 H ? A ? 68 HG12 1
   ATOM 2189 HG13 B VAL A 68 ? 51.47847 13.38788 -6.72984 0.438 7.52717 H ? A ? 68 HG13 1
   ATOM 2190 HG21 B VAL A 68 ? 52.74477 16.26034 -6.28678 0.438 4.89578 H ? A ? 68 HG21 1
   ATOM 2191 HG22 B VAL A 68 ? 51.22471 16.18481 -6.74198 0.438 4.89578 H ? A ? 68 HG22 1
   ATOM 2192 HG23 B VAL A 68 ? 51.60751 16.87376 -5.36273 0.438 4.89578 H ? A ? 68 HG23 1
   ATOM 2193 N C VAL A 68 ? 49.89590 15.69033 -3.80441 0.214 3.89868 N ? A ? 68 N 1
   ATOM 2194 CA C VAL A 68 ? 50.11382 14.66091 -4.81864 0.214 3.75038 C ? A ? 68 CA 1
   ATOM 2195 C C VAL A 68 ? 49.90350 13.29462 -4.17498 0.214 4.04130 C ? A ? 68 C 1
   ATOM 2196 O C VAL A 68 ? 50.13758 13.09323 -2.97254 0.214 4.35444 O ? A ? 68 O 1
   ATOM 2197 CB C VAL A 68 ? 51.48114 14.81787 -5.55097 0.214 4.66437 C ? A ? 68 CB 1
   ATOM 2198 CG1 C VAL A 68 ? 52.64797 14.67410 -4.58769 0.214 4.29954 C ? A ? 68 CG1 1
   ATOM 2199 CG2 C VAL A 68 ? 51.64042 13.70922 -6.53900 0.214 7.72492 C ? A ? 68 CG2 1
   ATOM 2200 H C VAL A 68 ? 50.34158 15.55091 -3.08225 0.214 4.67842 H ? A ? 68 H 1
   ATOM 2201 HA C VAL A 68 ? 49.44518 14.73416 -5.51754 0.214 4.50045 H ? A ? 68 HA 1
   ATOM 2202 HB C VAL A 68 ? 51.48925 15.69419 -5.96677 0.214 5.59725 H ? A ? 68 HB 1
   ATOM 2203 HG11 C VAL A 68 ? 53.47800 14.72961 -5.08655 0.214 5.15944 H ? A ? 68 HG11 1
   ATOM 2204 HG12 C VAL A 68 ? 52.60702 15.38880 -3.93314 0.214 5.15944 H ? A ? 68 HG12 1
   ATOM 2205 HG13 C VAL A 68 ? 52.58622 13.81429 -4.14293 0.214 5.15944 H ? A ? 68 HG13 1
   ATOM 2206 HG21 C VAL A 68 ? 52.41576 13.88925 -7.09339 0.214 9.26991 H ? A ? 68 HG21 1
   ATOM 2207 HG22 C VAL A 68 ? 51.76279 12.87459 -6.06013 0.214 9.26991 H ? A ? 68 HG22 1
   ATOM 2208 HG23 C VAL A 68 ? 50.84375 13.66058 -7.09022 0.214 9.26991 H ? A ? 68 HG23 1
   ATOM 2209 N A ALA A 69 ? 49.36111 12.39149 -5.00770 0.347 3.84717 N ? A ? 69 N 1
   ATOM 2210 CA A ALA A 69 ? 49.17502 11.01988 -4.52833 0.347 3.59913 C ? A ? 69 CA 1
   ATOM 2211 C A ALA A 69 ? 49.17025 10.07330 -5.73862 0.347 4.13293 C ? A ? 69 C 1
   ATOM 2212 O A ALA A 69 ? 48.95965 10.48917 -6.87797 0.347 4.08388 O ? A ? 69 O 1
   ATOM 2213 CB A ALA A 69 ? 47.86271 10.86356 -3.73347 0.347 4.11622 C ? A ? 69 CB 1
   ATOM 2214 H A ALA A 69 ? 49.01394 12.54935 -5.77852 0.347 4.61660 H ? A ? 69 H 1
   ATOM 2215 HA A ALA A 69 ? 49.91715 10.79096 -3.94717 0.347 4.31896 H ? A ? 69 HA 1
   ATOM 2216 HB1 A ALA A 69 ? 47.77448 9.94076 -3.44790 0.347 4.93946 H ? A ? 69 HB1 1
   ATOM 2217 HB2 A ALA A 69 ? 47.89057 11.44801 -2.95982 0.347 4.93946 H ? A ? 69 HB2 1
   ATOM 2218 HB3 A ALA A 69 ? 47.11691 11.10588 -4.30440 0.347 4.93946 H ? A ? 69 HB3 1
   ATOM 2219 N B ALA A 69 ? 49.54815 12.37042 -5.06259 0.439 3.45828 N ? A ? 69 N 1
   ATOM 2220 CA B ALA A 69 ? 49.34343 10.99844 -4.62410 0.439 3.72541 C ? A ? 69 CA 1
   ATOM 2221 C B ALA A 69 ? 49.38432 10.05140 -5.83789 0.439 3.26655 C ? A ? 69 C 1
   ATOM 2222 O B ALA A 69 ? 49.35375 10.46576 -7.01076 0.439 3.93809 O ? A ? 69 O 1
   ATOM 2223 CB B ALA A 69 ? 48.01657 10.83904 -3.86367 0.439 4.43610 C ? A ? 69 CB 1
   ATOM 2224 H B ALA A 69 ? 49.37051 12.51091 -5.89224 0.438 4.14994 H ? A ? 69 H 1
   ATOM 2225 HA B ALA A 69 ? 50.07604 10.76031 -4.03463 0.438 4.47049 H ? A ? 69 HA 1
   ATOM 2226 HB1 B ALA A 69 ? 47.92035 9.91437 -3.58685 0.438 5.32332 H ? A ? 69 HB1 1
   ATOM 2227 HB2 B ALA A 69 ? 48.02708 11.41793 -3.08542 0.438 5.32332 H ? A ? 69 HB2 1
   ATOM 2228 HB3 B ALA A 69 ? 47.28473 11.08659 -4.45021 0.438 5.32332 H ? A ? 69 HB3 1
   ATOM 2229 N C ALA A 69 ? 49.37664 12.36194 -4.97576 0.214 3.87059 N ? A ? 69 N 1
   ATOM 2230 CA C ALA A 69 ? 49.17632 10.98161 -4.53986 0.214 3.70841 C ? A ? 69 CA 1
   ATOM 2231 C C ALA A 69 ? 49.17886 10.05076 -5.75585 0.214 3.99097 C ? A ? 69 C 1
   ATOM 2232 O C ALA A 69 ? 48.97486 10.47436 -6.89495 0.214 4.08671 O ? A ? 69 O 1
   ATOM 2233 CB C ALA A 69 ? 47.86600 10.81568 -3.75139 0.214 4.15984 C ? A ? 69 CB 1
   ATOM 2234 H C ALA A 69 ? 49.12509 12.50812 -5.78505 0.214 4.64470 H ? A ? 69 H 1
   ATOM 2235 HA C ALA A 69 ? 49.91662 10.72965 -3.96595 0.214 4.45009 H ? A ? 69 HA 1
   ATOM 2236 HB1 C ALA A 69 ? 47.78262 9.89166 -3.46833 0.214 4.99181 H ? A ? 69 HB1 1
   ATOM 2237 HB2 C ALA A 69 ? 47.88792 11.39840 -2.97624 0.214 4.99181 H ? A ? 69 HB2 1
   ATOM 2238 HB3 C ALA A 69 ? 47.12044 11.05479 -4.32399 0.214 4.99181 H ? A ? 69 HB3 1
   ATOM 2239 N A ASP A 70 ? 49.32134 8.78376 -5.47636 0.347 4.33090 N ? A ? 70 N 1
   ATOM 2240 CA A ASP A 70 ? 49.34625 7.77430 -6.53659 0.347 5.41589 C ? A ? 70 CA 1
   ATOM 2241 C A ASP A 70 ? 47.95691 7.18966 -6.78682 0.347 5.10425 C ? A ? 70 C 1
   ATOM 2242 O A ASP A 70 ? 47.80936 6.40894 -7.75479 0.347 6.54228 O ? A ? 70 O 1
   ATOM 2243 CB A ASP A 70 ? 50.37322 6.65952 -6.28491 0.347 5.58389 C ? A ? 70 CB 1
   ATOM 2244 CG A ASP A 70 ? 51.80631 7.12833 -6.42130 0.347 5.39714 C ? A ? 70 CG 1
   ATOM 2245 OD1 A ASP A 70 ? 52.06894 8.19662 -5.84512 0.347 7.70123 O ? A ? 70 OD1 1
   ATOM 2246 OD2 A ASP A 70 ? 52.63154 6.32035 -6.93944 0.347 6.87785 O ? A ? 70 OD2 1
   ATOM 2247 H A ASP A 70 ? 49.41281 8.46002 -4.68489 0.347 5.19708 H ? A ? 70 H 1
   ATOM 2248 HA A ASP A 70 ? 49.65859 8.20250 -7.34898 0.347 6.49906 H ? A ? 70 HA 1
   ATOM 2249 HB2 A ASP A 70 ? 50.25485 6.32035 -5.38388 0.347 6.70067 H ? A ? 70 HB2 1
   ATOM 2250 HB3 A ASP A 70 ? 50.22955 5.94829 -6.92866 0.347 6.70067 H ? A ? 70 HB3 1
   ATOM 2251 N B ASP A 70 ? 49.38935 8.77133 -5.52308 0.439 4.47215 N ? A ? 70 N 1
   ATOM 2252 CA B ASP A 70 ? 49.34554 7.68982 -6.50373 0.439 5.31250 C ? A ? 70 CA 1
   ATOM 2253 C B ASP A 70 ? 47.95120 7.07833 -6.68015 0.439 5.15443 C ? A ? 70 C 1
   ATOM 2254 O B ASP A 70 ? 47.80940 6.05937 -7.38973 0.439 5.77085 O ? A ? 70 O 1
   ATOM 2255 CB B ASP A 70 ? 50.27066 6.57808 -6.06623 0.439 5.58647 C ? A ? 70 CB 1
   ATOM 2256 CG B ASP A 70 ? 51.72573 6.93211 -6.20188 0.439 7.02265 C ? A ? 70 CG 1
   ATOM 2257 OD1 B ASP A 70 ? 52.15413 8.09935 -5.95182 0.439 8.89330 O ? A ? 70 OD1 1
   ATOM 2258 OD2 B ASP A 70 ? 52.52085 5.99808 -6.54176 0.439 11.20113 O ? A ? 70 OD2 1
   ATOM 2259 H B ASP A 70 ? 49.41898 8.48412 -4.71300 0.438 5.36657 H ? A ? 70 H 1
   ATOM 2260 HA B ASP A 70 ? 49.63476 8.05198 -7.35585 0.438 6.37500 H ? A ? 70 HA 1
   ATOM 2261 HB2 B ASP A 70 ? 50.09888 6.37463 -5.13349 0.438 6.70377 H ? A ? 70 HB2 1
   ATOM 2262 HB3 B ASP A 70 ? 50.10198 5.79492 -6.61314 0.438 6.70377 H ? A ? 70 HB3 1
   ATOM 2263 N C ASP A 70 ? 49.37659 8.76607 -5.49393 0.214 4.46047 N ? A ? 70 N 1
   ATOM 2264 CA C ASP A 70 ? 49.35802 7.73922 -6.53564 0.214 5.39826 C ? A ? 70 CA 1
   ATOM 2265 C C ASP A 70 ? 47.96375 7.12342 -6.73535 0.214 5.24470 C ? A ? 70 C 1
   ATOM 2266 O C ASP A 70 ? 47.81854 6.22248 -7.58031 0.214 6.35293 O ? A ? 70 O 1
   ATOM 2267 CB C ASP A 70 ? 50.43830 6.66382 -6.27304 0.214 5.62159 C ? A ? 70 CB 1
   ATOM 2268 CG C ASP A 70 ? 51.88825 7.18059 -6.48994 0.214 5.06598 C ? A ? 70 CG 1
   ATOM 2269 OD1 C ASP A 70 ? 52.08294 8.40885 -6.40314 0.214 8.09602 O ? A ? 70 OD1 1
   ATOM 2270 OD2 C ASP A 70 ? 52.80552 6.32738 -6.67811 0.214 7.26418 O ? A ? 70 OD2 1
   ATOM 2271 H C ASP A 70 ? 49.52673 8.45458 -4.70651 0.214 5.35256 H ? A ? 70 H 1
   ATOM 2272 HA C ASP A 70 ? 49.60318 8.14277 -7.38295 0.214 6.47791 H ? A ? 70 HA 1
   ATOM 2273 HB2 C ASP A 70 ? 50.36434 6.36269 -5.35394 0.214 6.74591 H ? A ? 70 HB2 1
   ATOM 2274 HB3 C ASP A 70 ? 50.29411 5.91986 -6.87853 0.214 6.74591 H ? A ? 70 HB3 1
   ATOM 2275 N . GLU A 71 ? 46.95103 7.59346 -5.99310 1.000 5.97362 N ? A ? 71 N 1
   ATOM 2276 CA . GLU A 71 ? 45.54690 7.19735 -6.13802 1.000 6.43922 C ? A ? 71 CA 1
   ATOM 2277 C . GLU A 71 ? 44.71661 8.47192 -6.15993 1.000 5.21119 C ? A ? 71 C 1
   ATOM 2278 O . GLU A 71 ? 45.15345 9.50765 -5.64114 1.000 5.52348 O ? A ? 71 O 1
   ATOM 2279 HA . GLU A 71 ? 45.40145 6.71059 -6.96434 1.000 7.72706 H ? A ? 71 HA 1
   ATOM 2280 CB A GLU A 71 ? 45.10919 6.24032 -5.03186 0.244 8.05476 C ? A ? 71 CB 1
   ATOM 2281 CG A GLU A 71 ? 45.91472 4.94985 -4.99095 0.244 10.67267 C ? A ? 71 CG 1
   ATOM 2282 CD A GLU A 71 ? 45.68222 3.98920 -6.14803 0.244 12.47287 C ? A ? 71 CD 1
   ATOM 2283 OE1 A GLU A 71 ? 45.25334 4.33501 -7.25994 0.244 11.70784 O ? A ? 71 OE1 1
   ATOM 2284 OE2 A GLU A 71 ? 45.88264 2.80555 -5.91265 0.244 10.02461 O ? A ? 71 OE2 1
   ATOM 2285 H A GLU A 71 ? 47.06896 8.12648 -5.32858 0.347 7.16834 H ? A ? 71 H 1
   ATOM 2286 HB2 A GLU A 71 ? 45.21425 6.68340 -4.17539 0.244 9.66571 H ? A ? 71 HB2 1
   ATOM 2287 HB3 A GLU A 71 ? 44.17856 6.00533 -5.17187 0.244 9.66571 H ? A ? 71 HB3 1
   ATOM 2288 HG2 A GLU A 71 ? 46.85728 5.17893 -4.99279 0.244 12.80721 H ? A ? 71 HG2 1
   ATOM 2289 HG3 A GLU A 71 ? 45.69000 4.47622 -4.17482 0.244 12.80721 H ? A ? 71 HG3 1
   ATOM 2290 CB B GLU A 71 ? 45.10801 6.32300 -4.95702 0.314 8.16562 C ? A ? 71 CB 1
   ATOM 2291 CG B GLU A 71 ? 45.79505 5.00789 -4.98539 0.314 10.48365 C ? A ? 71 CG 1
   ATOM 2292 CD B GLU A 71 ? 45.23065 3.99360 -4.08741 0.314 13.85280 C ? A ? 71 CD 1
   ATOM 2293 OE1 B GLU A 71 ? 44.41643 4.36803 -3.24418 0.314 15.55335 O ? A ? 71 OE1 1
   ATOM 2294 OE2 B GLU A 71 ? 45.64706 2.82318 -4.24995 0.314 15.75443 O ? A ? 71 OE2 1
   ATOM 2295 H B GLU A 71 ? 47.05700 8.20888 -5.40180 0.438 7.16834 H ? A ? 71 H 1
   ATOM 2296 HB2 B GLU A 71 ? 45.33119 6.76906 -4.12508 0.314 9.79875 H ? A ? 71 HB2 1
   ATOM 2297 HB3 B GLU A 71 ? 44.15115 6.17159 -5.00596 0.314 9.79875 H ? A ? 71 HB3 1
   ATOM 2298 HG2 B GLU A 71 ? 45.74729 4.65552 -5.88786 0.314 12.58038 H ? A ? 71 HG2 1
   ATOM 2299 HG3 B GLU A 71 ? 46.72131 5.13937 -4.72915 0.314 12.58038 H ? A ? 71 HG3 1
   ATOM 2300 CB C GLU A 71 ? 45.13308 6.29046 -4.99470 0.442 8.03038 C ? A ? 71 CB 1
   ATOM 2301 CG C GLU A 71 ? 45.76957 4.91578 -4.91180 0.442 10.19803 C ? A ? 71 CG 1
   ATOM 2302 CD C GLU A 71 ? 45.41628 3.97368 -6.04301 0.442 12.58649 C ? A ? 71 CD 1
   ATOM 2303 OE1 C GLU A 71 ? 44.29416 4.19032 -6.55806 0.442 11.51124 O ? A ? 71 OE1 1
   ATOM 2304 OE2 C GLU A 71 ? 46.24352 3.05161 -6.41466 0.442 11.16874 O ? A ? 71 OE2 1
   ATOM 2305 H C GLU A 71 ? 47.05883 8.17290 -5.36682 0.214 7.16834 H ? A ? 71 H 1
   ATOM 2306 HB2 C GLU A 71 ? 45.34527 6.74567 -4.16484 0.443 9.63645 H ? A ? 71 HB2 1
   ATOM 2307 HB3 C GLU A 71 ? 44.17557 6.15007 -5.06064 0.443 9.63645 H ? A ? 71 HB3 1
   ATOM 2308 HG2 C GLU A 71 ? 46.73358 5.02334 -4.91478 0.443 12.23764 H ? A ? 71 HG2 1
   ATOM 2309 HG3 C GLU A 71 ? 45.48522 4.49536 -4.08519 0.443 12.23764 H ? A ? 71 HG3 1
   ATOM 2310 N A PRO A 72 ? 43.48843 8.41967 -6.71077 0.520 5.69565 N ? A ? 72 N 1
   ATOM 2311 CA A PRO A 72 ? 42.71400 9.66577 -6.82488 0.520 5.65200 C ? A ? 72 CA 1
   ATOM 2312 C A PRO A 72 ? 42.18613 10.15326 -5.47844 0.520 5.76145 C ? A ? 72 C 1
   ATOM 2313 O A PRO A 72 ? 41.90499 9.39401 -4.53880 0.520 5.75624 O ? A ? 72 O 1
   ATOM 2314 CB A PRO A 72 ? 41.57189 9.29886 -7.80139 0.520 6.31365 C ? A ? 72 CB 1
   ATOM 2315 CG A PRO A 72 ? 41.46101 7.83732 -7.67338 0.520 7.20867 C ? A ? 72 CG 1
   ATOM 2316 CD A PRO A 72 ? 42.81054 7.27550 -7.34923 0.520 5.87665 C ? A ? 72 CD 1
   ATOM 2317 HA A PRO A 72 ? 43.25781 10.36703 -7.21654 0.520 6.78241 H ? A ? 72 HA 1
   ATOM 2318 HB2 A PRO A 72 ? 40.74918 9.73884 -7.53593 0.520 7.57638 H ? A ? 72 HB2 1
   ATOM 2319 HB3 A PRO A 72 ? 41.80857 9.55595 -8.70626 0.520 7.57638 H ? A ? 72 HB3 1
   ATOM 2320 HG2 A PRO A 72 ? 40.83521 7.63037 -6.96172 0.520 8.65040 H ? A ? 72 HG2 1
   ATOM 2321 HG3 A PRO A 72 ? 41.14157 7.47126 -8.51293 0.520 8.65040 H ? A ? 72 HG3 1
   ATOM 2322 HD2 A PRO A 72 ? 42.73810 6.52738 -6.73607 0.520 7.05199 H ? A ? 72 HD2 1
   ATOM 2323 HD3 A PRO A 72 ? 43.27578 7.00043 -8.15470 0.520 7.05199 H ? A ? 72 HD3 1
   ATOM 2324 N B PRO A 72 ? 43.53131 8.41917 -6.78921 0.480 5.70596 N ? A ? 72 N 1
   ATOM 2325 CA B PRO A 72 ? 42.67296 9.61024 -6.82011 0.480 5.67923 C ? A ? 72 CA 1
   ATOM 2326 C B PRO A 72 ? 42.32389 10.13377 -5.43817 0.480 5.44748 C ? A ? 72 C 1
   ATOM 2327 O B PRO A 72 ? 42.32361 9.39121 -4.43376 0.480 6.00499 O ? A ? 72 O 1
   ATOM 2328 CB B PRO A 72 ? 41.40005 9.11695 -7.51659 0.480 6.57064 C ? A ? 72 CB 1
   ATOM 2329 CG B PRO A 72 ? 41.87136 7.96900 -8.35657 0.480 5.76630 C ? A ? 72 CG 1
   ATOM 2330 CD B PRO A 72 ? 43.03975 7.32930 -7.66053 0.480 5.49911 C ? A ? 72 CD 1
   ATOM 2331 HA B PRO A 72 ? 43.11418 10.30539 -7.33294 0.480 6.81508 H ? A ? 72 HA 1
   ATOM 2332 HB2 B PRO A 72 ? 40.74951 8.82655 -6.85828 0.480 7.88477 H ? A ? 72 HB2 1
   ATOM 2333 HB3 B PRO A 72 ? 41.02407 9.82272 -8.06562 0.480 7.88477 H ? A ? 72 HB3 1
   ATOM 2334 HG2 B PRO A 72 ? 41.14873 7.32946 -8.45503 0.480 6.91955 H ? A ? 72 HG2 1
   ATOM 2335 HG3 B PRO A 72 ? 42.14088 8.30166 -9.22697 0.480 6.91955 H ? A ? 72 HG3 1
   ATOM 2336 HD2 B PRO A 72 ? 42.75591 6.56490 -7.13515 0.480 6.59893 H ? A ? 72 HD2 1
   ATOM 2337 HD3 B PRO A 72 ? 43.71954 7.05983 -8.29785 0.480 6.59893 H ? A ? 72 HD3 1
   ATOM 2338 N . PHE A 73 ? 42.01858 11.44238 -5.41106 1.000 5.31354 N ? A ? 73 N 1
   ATOM 2339 CA . PHE A 73 ? 41.49632 12.11395 -4.23456 1.000 5.13407 C ? A ? 73 CA 1
   ATOM 2340 C . PHE A 73 ? 39.96122 12.13939 -4.16556 1.000 6.15752 C ? A ? 73 C 1
   ATOM 2341 O . PHE A 73 ? 39.40440 12.37216 -3.06210 1.000 6.43487 O ? A ? 73 O 1
   ATOM 2342 HA . PHE A 73 ? 41.84171 11.62002 -3.47454 1.000 6.16088 H ? A ? 73 HA 1
   ATOM 2343 CB A PHE A 73 ? 41.97637 13.57985 -4.17089 0.441 5.24553 C ? A ? 73 CB 1
   ATOM 2344 CG A PHE A 73 ? 43.45988 13.73186 -3.98274 0.441 4.57021 C ? A ? 73 CG 1
   ATOM 2345 CD1 A PHE A 73 ? 44.37948 13.59737 -5.06136 0.441 4.62388 C ? A ? 73 CD1 1
   ATOM 2346 CD2 A PHE A 73 ? 43.94912 14.02886 -2.72019 0.441 4.32422 C ? A ? 73 CD2 1
   ATOM 2347 CE1 A PHE A 73 ? 45.76418 13.76625 -4.85889 0.441 4.33256 C ? A ? 73 CE1 1
   ATOM 2348 CE2 A PHE A 73 ? 45.31429 14.17923 -2.49393 0.441 4.58604 C ? A ? 73 CE2 1
   ATOM 2349 CZ A PHE A 73 ? 46.22287 14.07005 -3.53424 0.441 4.73614 C ? A ? 73 CZ 1
   ATOM 2350 H A PHE A 73 ? 42.20408 11.98272 -6.05389 0.520 6.37625 H ? A ? 73 H 1
   ATOM 2351 HB2 A PHE A 73 ? 41.73791 14.02113 -5.00114 0.441 6.29463 H ? A ? 73 HB2 1
   ATOM 2352 HB3 A PHE A 73 ? 41.53828 14.01802 -3.42457 0.441 6.29463 H ? A ? 73 HB3 1
   ATOM 2353 HD1 A PHE A 73 ? 44.06197 13.39518 -5.91178 0.441 5.54866 H ? A ? 73 HD1 1
   ATOM 2354 HD2 A PHE A 73 ? 43.35484 14.12942 -2.01194 0.441 5.18906 H ? A ? 73 HD2 1
   ATOM 2355 HE1 A PHE A 73 ? 46.36391 13.68299 -5.56480 0.441 5.19907 H ? A ? 73 HE1 1
   ATOM 2356 HE2 A PHE A 73 ? 45.62042 14.35520 -1.63357 0.441 5.50325 H ? A ? 73 HE2 1
   ATOM 2357 HZ A PHE A 73 ? 47.13049 14.19379 -3.37358 0.441 5.68336 H ? A ? 73 HZ 1
   ATOM 2358 CB B PHE A 73 ? 41.99442 13.59758 -4.13662 0.559 5.21026 C ? A ? 73 CB 1
   ATOM 2359 CG B PHE A 73 ? 43.49042 13.73342 -3.98540 0.559 4.54866 C ? A ? 73 CG 1
   ATOM 2360 CD1 B PHE A 73 ? 44.33201 13.71272 -5.10037 0.559 4.62067 C ? A ? 73 CD1 1
   ATOM 2361 CD2 B PHE A 73 ? 44.06942 13.90117 -2.72471 0.559 4.96209 C ? A ? 73 CD2 1
   ATOM 2362 CE1 B PHE A 73 ? 45.70645 13.82530 -4.94367 0.559 4.34954 C ? A ? 73 CE1 1
   ATOM 2363 CE2 B PHE A 73 ? 45.44146 14.04674 -2.57421 0.559 4.76373 C ? A ? 73 CE2 1
   ATOM 2364 CZ B PHE A 73 ? 46.26885 14.01432 -3.68555 0.559 4.95844 C ? A ? 73 CZ 1
   ATOM 2365 H B PHE A 73 ? 42.11144 11.96795 -6.08542 0.480 6.37625 H ? A ? 73 H 1
   ATOM 2366 HB2 B PHE A 73 ? 41.73569 14.06662 -4.94530 0.559 6.25231 H ? A ? 73 HB2 1
   ATOM 2367 HB3 B PHE A 73 ? 41.58066 14.01432 -3.36459 0.559 6.25231 H ? A ? 73 HB3 1
   ATOM 2368 HD1 B PHE A 73 ? 43.96936 13.62303 -5.95203 0.559 5.54481 H ? A ? 73 HD1 1
   ATOM 2369 HD2 B PHE A 73 ? 43.52438 13.91555 -1.97130 0.559 5.95451 H ? A ? 73 HD2 1
   ATOM 2370 HE1 B PHE A 73 ? 46.25893 13.77367 -5.69000 0.559 5.21944 H ? A ? 73 HE1 1
   ATOM 2371 HE2 B PHE A 73 ? 45.80589 14.16613 -1.72695 0.559 5.71647 H ? A ? 73 HE2 1
   ATOM 2372 HZ B PHE A 73 ? 47.18828 14.11761 -3.59137 0.559 5.95012 H ? A ? 73 HZ 1
   ATOM 2373 N A ASP A 74 ? 39.22533 12.14612 -5.30072 0.390 4.76573 N ? A ? 74 N 1
   ATOM 2374 CA A ASP A 74 ? 37.75339 12.10154 -5.28863 0.390 6.62591 C ? A ? 74 CA 1
   ATOM 2375 C A ASP A 74 ? 37.19294 13.34103 -4.57165 0.390 6.36947 C ? A ? 74 C 1
   ATOM 2376 O A ASP A 74 ? 36.23843 13.26403 -3.78892 0.390 7.02760 O ? A ? 74 O 1
   ATOM 2377 CB A ASP A 74 ? 37.19006 10.73980 -4.79753 0.390 8.16305 C ? A ? 74 CB 1
   ATOM 2378 CG A ASP A 74 ? 37.75802 9.51393 -5.60838 0.390 9.40872 C ? A ? 74 CG 1
   ATOM 2379 OD1 A ASP A 74 ? 37.87949 9.70446 -6.82839 0.390 10.07979 O ? A ? 74 OD1 1
   ATOM 2380 OD2 A ASP A 74 ? 38.12791 8.42311 -5.05359 0.390 14.75936 O ? A ? 74 OD2 1
   ATOM 2381 H A ASP A 74 ? 39.56230 12.17636 -6.09137 0.390 5.71887 H ? A ? 74 H 1
   ATOM 2382 HA A ASP A 74 ? 37.41957 12.15310 -6.19791 0.390 7.95109 H ? A ? 74 HA 1
   ATOM 2383 HB2 A ASP A 74 ? 37.42741 10.61785 -3.86496 0.390 9.79566 H ? A ? 74 HB2 1
   ATOM 2384 HB3 A ASP A 74 ? 36.22513 10.74317 -4.89658 0.390 9.79566 H ? A ? 74 HB3 1
   ATOM 2385 N C ASP A 74 ? 39.36359 11.67899 -5.25921 0.398 5.08574 N ? A ? 74 N 1
   ATOM 2386 CA C ASP A 74 ? 37.92386 11.70037 -5.40797 0.398 5.95670 C ? A ? 74 CA 1
   ATOM 2387 C C ASP A 74 ? 37.25665 12.83209 -4.66077 0.398 5.22990 C ? A ? 74 C 1
   ATOM 2388 O C ASP A 74 ? 36.31297 12.64945 -3.87202 0.398 6.56259 O ? A ? 74 O 1
   ATOM 2389 CB C ASP A 74 ? 37.36557 10.39509 -4.93482 0.398 8.11899 C ? A ? 74 CB 1
   ATOM 2390 CG C ASP A 74 ? 37.61235 9.32291 -5.87781 0.398 9.76683 C ? A ? 74 CG 1
   ATOM 2391 OD1 C ASP A 74 ? 38.40222 9.49433 -6.83178 0.398 10.98482 O ? A ? 74 OD1 1
   ATOM 2392 OD2 C ASP A 74 ? 36.95334 8.30806 -5.63919 0.398 15.09016 O ? A ? 74 OD2 1
   ATOM 2393 H C ASP A 74 ? 39.77912 11.34614 -5.93460 0.398 6.10289 H ? A ? 74 H 1
   ATOM 2394 HA C ASP A 74 ? 37.72519 11.83929 -6.34719 0.398 7.14804 H ? A ? 74 HA 1
   ATOM 2395 HB2 C ASP A 74 ? 37.78120 10.15785 -4.09110 0.398 9.74278 H ? A ? 74 HB2 1
   ATOM 2396 HB3 C ASP A 74 ? 36.40639 10.48190 -4.81933 0.398 9.74278 H ? A ? 74 HB3 1
   ATOM 2397 N D ASP A 74 ? 39.26282 11.99352 -5.29501 0.212 5.31714 N ? A ? 74 N 1
   ATOM 2398 CA D ASP A 74 ? 37.79599 11.99667 -5.32334 0.212 6.67641 C ? A ? 74 CA 1
   ATOM 2399 C D ASP A 74 ? 37.21520 13.21737 -4.60049 0.212 6.61241 C ? A ? 74 C 1
   ATOM 2400 O D ASP A 74 ? 36.26974 13.12475 -3.80386 0.212 7.30856 O ? A ? 74 O 1
   ATOM 2401 CB D ASP A 74 ? 37.21120 10.66939 -4.80825 0.212 8.37095 C ? A ? 74 CB 1
   ATOM 2402 CG D ASP A 74 ? 37.61023 9.46239 -5.67772 0.212 9.28242 C ? A ? 74 CG 1
   ATOM 2403 OD1 D ASP A 74 ? 38.02262 9.73664 -6.82436 0.212 9.84500 O ? A ? 74 OD1 1
   ATOM 2404 OD2 D ASP A 74 ? 37.51201 8.26235 -5.23685 0.212 9.84310 O ? A ? 74 OD2 1
   ATOM 2405 H D ASP A 74 ? 39.62088 11.88950 -6.06997 0.212 6.38057 H ? A ? 74 H 1
   ATOM 2406 HA D ASP A 74 ? 37.51941 12.07664 -6.24962 0.212 8.01169 H ? A ? 74 HA 1
   ATOM 2407 HB2 D ASP A 74 ? 37.53500 10.51003 -3.90788 0.212 10.04514 H ? A ? 74 HB2 1
   ATOM 2408 HB3 D ASP A 74 ? 36.24312 10.73041 -4.80670 0.212 10.04514 H ? A ? 74 HB3 1
   ATOM 2409 N A GLY A 75 ? 37.78292 14.51831 -4.87623 0.390 5.39555 N ? A ? 75 N 1
   ATOM 2410 CA A GLY A 75 ? 37.27612 15.77444 -4.38128 0.390 6.45332 C ? A ? 75 CA 1
   ATOM 2411 C A GLY A 75 ? 37.82726 16.25602 -3.06891 0.390 5.75543 C ? A ? 75 C 1
   ATOM 2412 O A GLY A 75 ? 37.61823 17.42712 -2.74884 0.390 8.21996 O ? A ? 75 O 1
   ATOM 2413 H A GLY A 75 ? 38.48127 14.59470 -5.37228 0.390 6.47466 H ? A ? 75 H 1
   ATOM 2414 HA2 A GLY A 75 ? 37.46595 16.45916 -5.04159 0.390 7.74398 H ? A ? 75 HA2 1
   ATOM 2415 HA3 A GLY A 75 ? 36.31508 15.69370 -4.27738 0.390 7.74398 H ? A ? 75 HA3 1
   ATOM 2416 N C GLY A 75 ? 37.77602 14.02206 -4.92516 0.398 5.45284 N ? A ? 75 N 1
   ATOM 2417 CA C GLY A 75 ? 37.18917 15.24674 -4.46287 0.398 5.59464 C ? A ? 75 CA 1
   ATOM 2418 C C GLY A 75 ? 37.68571 15.79135 -3.13977 0.398 6.70682 C ? A ? 75 C 1
   ATOM 2419 O C GLY A 75 ? 37.38309 16.94950 -2.82186 0.398 7.54109 O ? A ? 75 O 1
   ATOM 2420 H C GLY A 75 ? 38.49211 14.13976 -5.38664 0.398 6.54340 H ? A ? 75 H 1
   ATOM 2421 HA2 C GLY A 75 ? 37.34984 15.93011 -5.13227 0.398 6.71357 H ? A ? 75 HA2 1
   ATOM 2422 HA3 C GLY A 75 ? 36.23298 15.10916 -4.37521 0.398 6.71357 H ? A ? 75 HA3 1
   ATOM 2423 N D GLY A 75 ? 37.78531 14.38874 -4.91438 0.212 5.74778 N ? A ? 75 N 1
   ATOM 2424 CA D GLY A 75 ? 37.28608 15.64150 -4.41279 0.212 6.61282 C ? A ? 75 CA 1
   ATOM 2425 C D GLY A 75 ? 37.81966 16.07800 -3.07273 0.212 6.40221 C ? A ? 75 C 1
   ATOM 2426 O D GLY A 75 ? 37.62958 17.24510 -2.72292 0.212 7.94733 O ? A ? 75 O 1
   ATOM 2427 H D GLY A 75 ? 38.47249 14.46864 -5.42526 0.212 6.89734 H ? A ? 75 H 1
   ATOM 2428 HA2 D GLY A 75 ? 37.50511 16.33639 -5.05315 0.212 7.93539 H ? A ? 75 HA2 1
   ATOM 2429 HA3 D GLY A 75 ? 36.32141 15.57693 -4.33446 0.212 7.93539 H ? A ? 75 HA3 1
   ATOM 2430 N A ASP A 76 ? 38.50897 15.41621 -2.30859 0.390 5.43796 N ? A ? 76 N 1
   ATOM 2431 CA A ASP A 76 ? 38.90969 15.75304 -0.94271 0.390 4.97134 C ? A ? 76 CA 1
   ATOM 2432 C A ASP A 76 ? 40.43121 15.94853 -0.93300 0.390 4.74877 C ? A ? 76 C 1
   ATOM 2433 O A ASP A 76 ? 41.18765 14.96801 -1.00156 0.390 5.52080 O ? A ? 76 O 1
   ATOM 2434 CB A ASP A 76 ? 38.50335 14.64429 0.02417 0.390 5.45745 C ? A ? 76 CB 1
   ATOM 2435 CG A ASP A 76 ? 38.91473 14.96076 1.44690 0.390 4.19602 C ? A ? 76 CG 1
   ATOM 2436 OD1 A ASP A 76 ? 39.42675 16.09422 1.65307 0.390 5.72597 O ? A ? 76 OD1 1
   ATOM 2437 OD2 A ASP A 76 ? 38.61310 14.12336 2.33225 0.390 7.20145 O ? A ? 76 OD2 1
   ATOM 2438 H A ASP A 76 ? 38.75779 14.63216 -2.55950 0.390 6.52555 H ? A ? 76 H 1
   ATOM 2439 HA A ASP A 76 ? 38.47585 16.57119 -0.65405 0.390 5.96561 H ? A ? 76 HA 1
   ATOM 2440 HB2 A ASP A 76 ? 37.53936 14.53861 0.00274 0.390 6.54893 H ? A ? 76 HB2 1
   ATOM 2441 HB3 A ASP A 76 ? 38.93384 13.81609 -0.23975 0.390 6.54893 H ? A ? 76 HB3 1
   ATOM 2442 N C ASP A 76 ? 38.49703 15.03435 -2.38961 0.398 5.43828 N ? A ? 76 N 1
   ATOM 2443 CA C ASP A 76 ? 38.90475 15.38452 -1.02346 0.398 5.65965 C ? A ? 76 CA 1
   ATOM 2444 C C ASP A 76 ? 40.41021 15.70593 -0.97471 0.398 5.14560 C ? A ? 76 C 1
   ATOM 2445 O C ASP A 76 ? 41.23270 14.76449 -0.96100 0.398 5.28205 O ? A ? 76 O 1
   ATOM 2446 CB C ASP A 76 ? 38.55610 14.22350 -0.06264 0.398 5.89959 C ? A ? 76 CB 1
   ATOM 2447 CG C ASP A 76 ? 39.02220 14.46628 1.37417 0.398 6.73389 C ? A ? 76 CG 1
   ATOM 2448 OD1 C ASP A 76 ? 39.46526 15.60104 1.68980 0.398 6.03757 O ? A ? 76 OD1 1
   ATOM 2449 OD2 C ASP A 76 ? 38.91211 13.53003 2.20719 0.398 7.82882 O ? A ? 76 OD2 1
   ATOM 2450 H C ASP A 76 ? 38.83439 14.29045 -2.65870 0.398 6.52593 H ? A ? 76 H 1
   ATOM 2451 HA C ASP A 76 ? 38.43231 16.18393 -0.74305 0.398 6.79157 H ? A ? 76 HA 1
   ATOM 2452 HB2 C ASP A 76 ? 37.59326 14.10683 -0.04748 0.398 7.07951 H ? A ? 76 HB2 1
   ATOM 2453 HB3 C ASP A 76 ? 38.98351 13.41312 -0.38126 0.398 7.07951 H ? A ? 76 HB3 1
   ATOM 2454 N D ASP A 76 ? 38.48860 15.19698 -2.32600 0.212 5.67703 N ? A ? 76 N 1
   ATOM 2455 CA D ASP A 76 ? 38.90987 15.46047 -0.94840 0.212 5.58601 C ? A ? 76 CA 1
   ATOM 2456 C D ASP A 76 ? 40.41421 15.70978 -0.95084 0.212 5.19543 C ? A ? 76 C 1
   ATOM 2457 O D ASP A 76 ? 41.20537 14.74730 -1.00022 0.212 5.32481 O ? A ? 76 O 1
   ATOM 2458 CB D ASP A 76 ? 38.55910 14.28189 -0.03557 0.212 6.08484 C ? A ? 76 CB 1
   ATOM 2459 CG D ASP A 76 ? 39.00628 14.50074 1.40410 0.212 6.60178 C ? A ? 76 CG 1
   ATOM 2460 OD1 D ASP A 76 ? 39.53200 15.59640 1.74130 0.212 6.04648 O ? A ? 76 OD1 1
   ATOM 2461 OD2 D ASP A 76 ? 38.80725 13.56949 2.21383 0.212 7.85138 O ? A ? 76 OD2 1
   ATOM 2462 H D ASP A 76 ? 38.71713 14.41570 -2.60345 0.212 6.81243 H ? A ? 76 H 1
   ATOM 2463 HA D ASP A 76 ? 38.45359 16.24548 -0.60711 0.212 6.70321 H ? A ? 76 HA 1
   ATOM 2464 HB2 D ASP A 76 ? 37.59717 14.15706 -0.03554 0.212 7.30181 H ? A ? 76 HB2 1
   ATOM 2465 HB3 D ASP A 76 ? 38.99732 13.48290 -0.36795 0.212 7.30181 H ? A ? 76 HB3 1
   ATOM 2466 N A PRO A 77 ? 40.92613 17.15751 -0.80988 0.390 5.10596 N ? A ? 77 N 1
   ATOM 2467 CA A PRO A 77 ? 42.38112 17.35209 -0.83246 0.390 5.52591 C ? A ? 77 CA 1
   ATOM 2468 C A PRO A 77 ? 43.05936 16.71113 0.34326 0.390 5.75201 C ? A ? 77 C 1
   ATOM 2469 O A PRO A 77 ? 44.26097 16.40338 0.26473 0.390 5.95011 O ? A ? 77 O 1
   ATOM 2470 CB A PRO A 77 ? 42.51733 18.86924 -0.83148 0.390 6.33579 C ? A ? 77 CB 1
   ATOM 2471 CG A PRO A 77 ? 41.26955 19.28192 -0.05606 0.390 6.38114 C ? A ? 77 CG 1
   ATOM 2472 CD A PRO A 77 ? 40.16404 18.35897 -0.47382 0.390 6.83075 C ? A ? 77 CD 1
   ATOM 2473 HA A PRO A 77 ? 42.76994 17.00825 -1.65191 0.390 6.63109 H ? A ? 77 HA 1
   ATOM 2474 HB2 A PRO A 77 ? 43.33014 19.14217 -0.37789 0.390 7.60295 H ? A ? 77 HB2 1
   ATOM 2475 HB3 A PRO A 77 ? 42.51012 19.21668 -1.73709 0.390 7.60295 H ? A ? 77 HB3 1
   ATOM 2476 HG2 A PRO A 77 ? 41.43945 19.19819 0.89527 0.390 7.65737 H ? A ? 77 HG2 1
   ATOM 2477 HG3 A PRO A 77 ? 41.04460 20.20011 -0.27334 0.390 7.65737 H ? A ? 77 HG3 1
   ATOM 2478 HD2 A PRO A 77 ? 39.54467 18.19444 0.25433 0.390 8.19689 H ? A ? 77 HD2 1
   ATOM 2479 HD3 A PRO A 77 ? 39.68614 18.70340 -1.24445 0.390 8.19689 H ? A ? 77 HD3 1
   ATOM 2480 N C PRO A 77 ? 40.82887 16.99632 -0.92929 0.398 5.60858 N ? A ? 77 N 1
   ATOM 2481 CA C PRO A 77 ? 42.28973 17.30688 -0.82685 0.398 5.67245 C ? A ? 77 CA 1
   ATOM 2482 C C PRO A 77 ? 43.01298 16.71884 0.40573 0.398 5.70962 C ? A ? 77 C 1
   ATOM 2483 O C PRO A 77 ? 44.25557 16.75011 0.45714 0.398 5.22756 O ? A ? 77 O 1
   ATOM 2484 CB C PRO A 77 ? 42.35400 18.84944 -0.80180 0.398 6.45440 C ? A ? 77 CB 1
   ATOM 2485 CG C PRO A 77 ? 41.11162 19.32404 -1.33691 0.398 8.02737 C ? A ? 77 CG 1
   ATOM 2486 CD C PRO A 77 ? 40.02999 18.25934 -0.97031 0.398 7.23545 C ? A ? 77 CD 1
   ATOM 2487 HA C PRO A 77 ? 42.71520 16.97160 -1.63150 0.398 6.80694 H ? A ? 77 HA 1
   ATOM 2488 HB2 C PRO A 77 ? 42.46933 19.15299 0.11224 0.398 7.74528 H ? A ? 77 HB2 1
   ATOM 2489 HB3 C PRO A 77 ? 43.09717 19.15054 -1.34763 0.398 7.74528 H ? A ? 77 HB3 1
   ATOM 2490 HG2 C PRO A 77 ? 40.89410 20.18144 -0.93885 0.398 9.63284 H ? A ? 77 HG2 1
   ATOM 2491 HG3 C PRO A 77 ? 41.18740 19.41491 -2.29966 0.398 9.63284 H ? A ? 77 HG3 1
   ATOM 2492 HD2 C PRO A 77 ? 39.63212 18.44903 -0.10624 0.398 8.68255 H ? A ? 77 HD2 1
   ATOM 2493 HD3 C PRO A 77 ? 39.33997 18.21409 -1.65054 0.398 8.68255 H ? A ? 77 HD3 1
   ATOM 2494 N D PRO A 77 ? 40.85756 16.96709 -0.88649 0.212 5.53488 N ? A ? 77 N 1
   ATOM 2495 CA D PRO A 77 ? 42.30901 17.23937 -0.85728 0.212 5.68994 C ? A ? 77 CA 1
   ATOM 2496 C D PRO A 77 ? 43.03149 16.66580 0.35915 0.212 5.68811 C ? A ? 77 C 1
   ATOM 2497 O D PRO A 77 ? 44.26528 16.54823 0.31501 0.212 5.87039 O ? A ? 77 O 1
   ATOM 2498 CB D PRO A 77 ? 42.38001 18.77156 -0.85934 0.212 6.39787 C ? A ? 77 CB 1
   ATOM 2499 CG D PRO A 77 ? 41.07046 19.18064 -0.24703 0.212 6.40495 C ? A ? 77 CG 1
   ATOM 2500 CD D PRO A 77 ? 40.05339 18.20336 -0.74645 0.212 6.71739 C ? A ? 77 CD 1
   ATOM 2501 HA D PRO A 77 ? 42.71687 16.88834 -1.66433 0.212 6.82793 H ? A ? 77 HA 1
   ATOM 2502 HB2 D PRO A 77 ? 43.13003 19.07464 -0.32407 0.212 7.67744 H ? A ? 77 HB2 1
   ATOM 2503 HB3 D PRO A 77 ? 42.46445 19.10354 -1.76684 0.212 7.67744 H ? A ? 77 HB3 1
   ATOM 2504 HG2 D PRO A 77 ? 41.13664 19.14178 0.71993 0.212 7.68594 H ? A ? 77 HG2 1
   ATOM 2505 HG3 D PRO A 77 ? 40.84656 20.08155 -0.52831 0.212 7.68594 H ? A ? 77 HG3 1
   ATOM 2506 HD2 D PRO A 77 ? 39.33698 18.08416 -0.10345 0.212 8.06087 H ? A ? 77 HD2 1
   ATOM 2507 HD3 D PRO A 77 ? 39.68917 18.48288 -1.60091 0.212 8.06087 H ? A ? 77 HD3 1
   ATOM 2508 N A ASN A 78 ? 42.31229 16.55066 1.44107 0.390 4.50493 N ? A ? 78 N 1
   ATOM 2509 CA A ASN A 78 ? 42.85860 16.02790 2.69625 0.390 4.81671 C ? A ? 78 CA 1
   ATOM 2510 C A ASN A 78 ? 42.64248 14.53450 2.85821 0.390 4.72946 C ? A ? 78 C 1
   ATOM 2511 O A ASN A 78 ? 42.86889 13.96680 3.95268 0.390 5.65996 O ? A ? 78 O 1
   ATOM 2512 CB A ASN A 78 ? 42.27912 16.82265 3.84504 0.390 6.05117 C ? A ? 78 CB 1
   ATOM 2513 CG A ASN A 78 ? 42.44704 18.26443 3.60880 0.390 6.68258 C ? A ? 78 CG 1
   ATOM 2514 OD1 A ASN A 78 ? 41.46877 18.98339 3.46360 0.390 8.90624 O ? A ? 78 OD1 1
   ATOM 2515 ND2 A ASN A 78 ? 43.67681 18.71616 3.56840 0.390 7.16919 N ? A ? 78 ND2 1
   ATOM 2516 H A ASN A 78 ? 41.47458 16.74066 1.48269 0.390 5.40592 H ? A ? 78 H 1
   ATOM 2517 HA A ASN A 78 ? 43.82089 16.14890 2.71193 0.390 5.78005 H ? A ? 78 HA 1
   ATOM 2518 HB2 A ASN A 78 ? 41.33191 16.63069 3.92778 0.390 7.26140 H ? A ? 78 HB2 1
   ATOM 2519 HB3 A ASN A 78 ? 42.73819 16.58798 4.66668 0.390 7.26140 H ? A ? 78 HB3 1
   ATOM 2520 HD21 A ASN A 78 ? 43.82339 19.55265 3.43274 0.390 8.60303 H ? A ? 78 HD21 1
   ATOM 2521 HD22 A ASN A 78 ? 44.33710 18.17606 3.67755 0.390 8.60303 H ? A ? 78 HD22 1
   ATOM 2522 N C ASN A 78 ? 42.25315 16.23636 1.39298 0.398 5.22163 N ? A ? 78 N 1
   ATOM 2523 CA C ASN A 78 ? 42.77535 15.71525 2.64719 0.398 4.97687 C ? A ? 78 CA 1
   ATOM 2524 C C ASN A 78 ? 42.53848 14.21577 2.76968 0.398 5.52683 C ? A ? 78 C 1
   ATOM 2525 O C ASN A 78 ? 42.56030 13.71712 3.88456 0.398 6.46377 O ? A ? 78 O 1
   ATOM 2526 CB C ASN A 78 ? 42.16434 16.49267 3.83266 0.398 6.42915 C ? A ? 78 CB 1
   ATOM 2527 CG C ASN A 78 ? 42.21727 18.01377 3.60440 0.398 6.24291 C ? A ? 78 CG 1
   ATOM 2528 OD1 C ASN A 78 ? 41.18904 18.67046 3.39821 0.398 6.97583 O ? A ? 78 OD1 1
   ATOM 2529 ND2 C ASN A 78 ? 43.43964 18.56364 3.57209 0.398 6.70493 N ? A ? 78 ND2 1
   ATOM 2530 H C ASN A 78 ? 41.39482 16.20117 1.35265 0.398 6.26596 H ? A ? 78 H 1
   ATOM 2531 HA C ASN A 78 ? 43.73475 15.85296 2.68558 0.398 5.97224 H ? A ? 78 HA 1
   ATOM 2532 HB2 C ASN A 78 ? 41.23594 16.23336 3.94096 0.398 7.71498 H ? A ? 78 HB2 1
   ATOM 2533 HB3 C ASN A 78 ? 42.66212 16.28860 4.63980 0.398 7.71498 H ? A ? 78 HB3 1
   ATOM 2534 HD21 C ASN A 78 ? 43.52724 19.41004 3.44750 0.398 8.04591 H ? A ? 78 HD21 1
   ATOM 2535 HD22 C ASN A 78 ? 44.13611 18.06993 3.67596 0.398 8.04591 H ? A ? 78 HD22 1
   ATOM 2536 N D ASN A 78 ? 42.30853 16.34121 1.44361 0.212 5.20141 N ? A ? 78 N 1
   ATOM 2537 CA D ASN A 78 ? 42.89210 15.81465 2.68522 0.212 5.08204 C ? A ? 78 CA 1
   ATOM 2538 C D ASN A 78 ? 42.69613 14.29796 2.84127 0.212 5.45180 C ? A ? 78 C 1
   ATOM 2539 O D ASN A 78 ? 42.92370 13.72226 3.93169 0.212 4.92684 O ? A ? 78 O 1
   ATOM 2540 CB D ASN A 78 ? 42.33398 16.57344 3.88804 0.212 6.36639 C ? A ? 78 CB 1
   ATOM 2541 CG D ASN A 78 ? 42.42103 18.06209 3.70249 0.212 6.74218 C ? A ? 78 CG 1
   ATOM 2542 OD1 D ASN A 78 ? 41.40216 18.74276 3.70222 0.212 7.13714 O ? A ? 78 OD1 1
   ATOM 2543 ND2 D ASN A 78 ? 43.62861 18.58563 3.56359 0.212 7.08657 N ? A ? 78 ND2 1
   ATOM 2544 H D ASN A 78 ? 41.45309 16.42030 1.48335 0.212 6.24169 H ? A ? 78 H 1
   ATOM 2545 HA D ASN A 78 ? 43.84973 15.96773 2.66461 0.212 6.09845 H ? A ? 78 HA 1
   ATOM 2546 HB2 D ASN A 78 ? 41.40118 16.33692 4.00988 0.212 7.63967 H ? A ? 78 HB2 1
   ATOM 2547 HB3 D ASN A 78 ? 42.84250 16.33606 4.67922 0.212 7.63967 H ? A ? 78 HB3 1
   ATOM 2548 HD21 D ASN A 78 ? 43.71965 19.43391 3.45526 0.212 8.50389 H ? A ? 78 HD21 1
   ATOM 2549 HD22 D ASN A 78 ? 44.32224 18.07755 3.58165 0.212 8.50389 H ? A ? 78 HD22 1
   ATOM 2550 N A LYS A 79 ? 42.32761 13.86137 1.76062 0.390 4.65400 N ? A ? 79 N 1
   ATOM 2551 CA A LYS A 79 ? 42.03133 12.42638 1.79885 0.390 4.86130 C ? A ? 79 CA 1
   ATOM 2552 C A LYS A 79 ? 43.11021 11.61610 2.55152 0.390 4.79252 C ? A ? 79 C 1
   ATOM 2553 O A LYS A 79 ? 42.76045 10.75853 3.37263 0.390 6.25736 O ? A ? 79 O 1
   ATOM 2554 CB A LYS A 79 ? 41.85752 11.86157 0.36860 0.390 5.94258 C ? A ? 79 CB 1
   ATOM 2555 CG A LYS A 79 ? 41.58226 10.30399 0.32046 0.390 7.16291 C ? A ? 79 CG 1
   ATOM 2556 CD A LYS A 79 ? 41.14051 9.80789 -1.10335 0.390 7.61857 C ? A ? 79 CD 1
   ATOM 2557 CE A LYS A 79 ? 40.90515 8.33387 -1.21594 0.390 9.08355 C ? A ? 79 CE 1
   ATOM 2558 NZ A LYS A 79 ? 40.62181 7.89307 -2.55279 0.390 10.06587 N ? A ? 79 NZ 1
   ATOM 2559 H A LYS A 79 ? 42.27669 14.20761 0.97504 0.390 5.58480 H ? A ? 79 H 1
   ATOM 2560 HA A LYS A 79 ? 41.19316 12.32539 2.27651 0.390 5.83356 H ? A ? 79 HA 1
   ATOM 2561 HB2 A LYS A 79 ? 41.10577 12.30720 -0.05232 0.390 7.13110 H ? A ? 79 HB2 1
   ATOM 2562 HB3 A LYS A 79 ? 42.66903 12.03347 -0.13420 0.390 7.13110 H ? A ? 79 HB3 1
   ATOM 2563 HG2 A LYS A 79 ? 42.39381 9.83161 0.56366 0.390 8.59549 H ? A ? 79 HG2 1
   ATOM 2564 HG3 A LYS A 79 ? 40.87288 10.08858 0.94600 0.390 8.59549 H ? A ? 79 HG3 1
   ATOM 2565 HD2 A LYS A 79 ? 40.31177 10.25257 -1.34070 0.390 9.14228 H ? A ? 79 HD2 1
   ATOM 2566 HD3 A LYS A 79 ? 41.83534 10.03974 -1.73924 0.390 9.14228 H ? A ? 79 HD3 1
   ATOM 2567 HE2 A LYS A 79 ? 41.69946 7.86670 -0.91305 0.390 10.90026 H ? A ? 79 HE2 1
   ATOM 2568 HE3 A LYS A 79 ? 40.14739 8.09515 -0.65942 0.390 10.90026 H ? A ? 79 HE3 1
   ATOM 2569 HZ1 A LYS A 79 ? 40.20886 7.10494 -2.53234 0.390 12.07905 H ? A ? 79 HZ1 1
   ATOM 2570 HZ2 A LYS A 79 ? 40.09729 8.48342 -2.96322 0.390 12.07905 H ? A ? 79 HZ2 1
   ATOM 2571 HZ3 A LYS A 79 ? 41.37909 7.81050 -3.01301 0.390 12.07905 H ? A ? 79 HZ3 1
   ATOM 2572 N C LYS A 79 ? 42.29670 13.49466 1.65769 0.398 4.80556 N ? A ? 79 N 1
   ATOM 2573 CA C LYS A 79 ? 42.03243 12.05999 1.70034 0.398 5.43225 C ? A ? 79 CA 1
   ATOM 2574 C C LYS A 79 ? 43.16132 11.28704 2.35893 0.398 5.21074 C ? A ? 79 C 1
   ATOM 2575 O C LYS A 79 ? 42.90262 10.27820 3.03337 0.398 5.69538 O ? A ? 79 O 1
   ATOM 2576 CB C LYS A 79 ? 41.89782 11.53790 0.26494 0.398 5.85872 C ? A ? 79 CB 1
   ATOM 2577 CG C LYS A 79 ? 41.82698 10.04651 0.20180 0.398 7.03523 C ? A ? 79 CG 1
   ATOM 2578 CD C LYS A 79 ? 41.53491 9.55764 -1.14880 0.398 7.69047 C ? A ? 79 CD 1
   ATOM 2579 CE C LYS A 79 ? 41.52373 8.03815 -1.16895 0.398 8.40718 C ? A ? 79 CE 1
   ATOM 2580 NZ C LYS A 79 ? 41.24139 7.47739 -2.50092 0.398 10.41575 N ? A ? 79 NZ 1
   ATOM 2581 H C LYS A 79 ? 42.28158 13.82232 0.86270 0.398 5.76668 H ? A ? 79 H 1
   ATOM 2582 HA C LYS A 79 ? 41.21444 11.91855 2.20212 0.398 6.51871 H ? A ? 79 HA 1
   ATOM 2583 HB2 C LYS A 79 ? 41.08542 11.89493 -0.12677 0.398 7.03046 H ? A ? 79 HB2 1
   ATOM 2584 HB3 C LYS A 79 ? 42.66827 11.82496 -0.24975 0.398 7.03046 H ? A ? 79 HB3 1
   ATOM 2585 HG2 C LYS A 79 ? 42.67967 9.67584 0.47823 0.398 8.44228 H ? A ? 79 HG2 1
   ATOM 2586 HG3 C LYS A 79 ? 41.12316 9.73645 0.79290 0.398 8.44228 H ? A ? 79 HG3 1
   ATOM 2587 HD2 C LYS A 79 ? 40.66337 9.87764 -1.42974 0.398 9.22857 H ? A ? 79 HD2 1
   ATOM 2588 HD3 C LYS A 79 ? 42.21713 9.87064 -1.76322 0.398 9.22857 H ? A ? 79 HD3 1
   ATOM 2589 HE2 C LYS A 79 ? 42.39332 7.71344 -0.88738 0.398 10.08862 H ? A ? 79 HE2 1
   ATOM 2590 HE3 C LYS A 79 ? 40.83812 7.72054 -0.56072 0.398 10.08862 H ? A ? 79 HE3 1
   ATOM 2591 HZ1 C LYS A 79 ? 41.20590 6.58923 -2.45600 0.398 12.49890 H ? A ? 79 HZ1 1
   ATOM 2592 HZ2 C LYS A 79 ? 40.46103 7.78285 -2.80063 0.398 12.49890 H ? A ? 79 HZ2 1
   ATOM 2593 HZ3 C LYS A 79 ? 41.88216 7.71232 -3.07217 0.398 12.49890 H ? A ? 79 HZ3 1
   ATOM 2594 N D LYS A 79 ? 42.33008 13.64235 1.74515 0.212 5.04686 N ? A ? 79 N 1
   ATOM 2595 CA D LYS A 79 ? 42.02557 12.22040 1.77096 0.212 5.39876 C ? A ? 79 CA 1
   ATOM 2596 C D LYS A 79 ? 43.12734 11.41247 2.45196 0.212 5.44662 C ? A ? 79 C 1
   ATOM 2597 O D LYS A 79 ? 42.83203 10.47606 3.20598 0.212 5.49018 O ? A ? 79 O 1
   ATOM 2598 CB D LYS A 79 ? 41.83303 11.70991 0.34033 0.212 6.06295 C ? A ? 79 CB 1
   ATOM 2599 CG D LYS A 79 ? 41.73395 10.18553 0.25271 0.212 7.23131 C ? A ? 79 CG 1
   ATOM 2600 CD D LYS A 79 ? 41.48114 9.72833 -1.16938 0.212 7.91586 C ? A ? 79 CD 1
   ATOM 2601 CE D LYS A 79 ? 41.58875 8.22989 -1.32682 0.212 7.46998 C ? A ? 79 CE 1
   ATOM 2602 NZ D LYS A 79 ? 40.53194 7.56384 -0.53384 0.212 10.37517 N ? A ? 79 NZ 1
   ATOM 2603 H D LYS A 79 ? 42.24994 14.00123 0.96772 0.212 6.05623 H ? A ? 79 H 1
   ATOM 2604 HA D LYS A 79 ? 41.20391 12.09492 2.27099 0.212 6.47851 H ? A ? 79 HA 1
   ATOM 2605 HB2 D LYS A 79 ? 41.01299 12.08350 -0.01865 0.212 7.27554 H ? A ? 79 HB2 1
   ATOM 2606 HB3 D LYS A 79 ? 42.58931 11.99136 -0.19792 0.212 7.27554 H ? A ? 79 HB3 1
   ATOM 2607 HG2 D LYS A 79 ? 42.56640 9.79114 0.55664 0.212 8.67757 H ? A ? 79 HG2 1
   ATOM 2608 HG3 D LYS A 79 ? 40.99955 9.87858 0.80708 0.212 8.67757 H ? A ? 79 HG3 1
   ATOM 2609 HD2 D LYS A 79 ? 40.58639 9.99415 -1.43334 0.212 9.49904 H ? A ? 79 HD2 1
   ATOM 2610 HD3 D LYS A 79 ? 42.13578 10.13926 -1.75544 0.212 9.49904 H ? A ? 79 HD3 1
   ATOM 2611 HE2 D LYS A 79 ? 41.47651 7.98990 -2.25994 0.212 8.96398 H ? A ? 79 HE2 1
   ATOM 2612 HE3 D LYS A 79 ? 42.45410 7.92862 -1.00855 0.212 8.96398 H ? A ? 79 HE3 1
   ATOM 2613 HZ1 D LYS A 79 ? 40.38967 6.74239 -0.84542 0.212 12.45020 H ? A ? 79 HZ1 1
   ATOM 2614 HZ2 D LYS A 79 ? 40.77967 7.51027 0.31930 0.212 12.45020 H ? A ? 79 HZ2 1
   ATOM 2615 HZ3 D LYS A 79 ? 39.77422 8.02779 -0.58600 0.212 12.45020 H ? A ? 79 HZ3 1
   ATOM 2616 N . PHE A 80 ? 44.39759 11.73389 2.17312 1.000 5.81713 N ? A ? 80 N 1
   ATOM 2617 CA . PHE A 80 ? 45.52309 10.89287 2.59239 1.000 6.52707 C ? A ? 80 CA 1
   ATOM 2618 C . PHE A 80 ? 46.12595 11.37858 3.89201 1.000 6.95805 C ? A ? 80 C 1
   ATOM 2619 O . PHE A 80 ? 47.18776 10.87183 4.30018 1.000 8.60388 O ? A ? 80 O 1
   ATOM 2620 CB . PHE A 80 ? 46.55939 10.76953 1.43832 1.000 5.96106 C ? A ? 80 CB 1
   ATOM 2621 CG . PHE A 80 ? 45.99967 10.19408 0.21693 1.000 5.95369 C ? A ? 80 CG 1
   ATOM 2622 CD1 . PHE A 80 ? 45.84755 8.83280 0.06844 1.000 6.89563 C ? A ? 80 CD1 1
   ATOM 2623 CD2 . PHE A 80 ? 45.59746 11.01060 -0.83549 1.000 6.73382 C ? A ? 80 CD2 1
   ATOM 2624 CE1 . PHE A 80 ? 45.31197 8.37173 -1.10739 1.000 8.49634 C ? A ? 80 CE1 1
   ATOM 2625 CE2 . PHE A 80 ? 45.03622 10.52691 -1.97749 1.000 7.14833 C ? A ? 80 CE2 1
   ATOM 2626 CZ . PHE A 80 ? 44.88324 9.20736 -2.09014 1.000 8.12542 C ? A ? 80 CZ 1
   ATOM 2627 HA . PHE A 80 ? 45.22490 9.98468 2.75728 1.000 7.83249 H ? A ? 80 HA 1
   ATOM 2628 HB2 . PHE A 80 ? 46.89652 11.65342 1.22386 1.000 7.15328 H ? A ? 80 HB2 1
   ATOM 2629 HB3 . PHE A 80 ? 47.28726 10.19865 1.73020 1.000 7.15328 H ? A ? 80 HB3 1
   ATOM 2630 HD1 . PHE A 80 ? 46.09989 8.24527 0.74374 1.000 8.27475 H ? A ? 80 HD1 1
   ATOM 2631 HD2 . PHE A 80 ? 45.71761 11.92928 -0.75499 1.000 8.08058 H ? A ? 80 HD2 1
   ATOM 2632 HE1 . PHE A 80 ? 45.23955 7.45365 -1.23694 1.000 10.19560 H ? A ? 80 HE1 1
   ATOM 2633 HE2 . PHE A 80 ? 44.76750 11.09997 -2.65888 1.000 8.57800 H ? A ? 80 HE2 1
   ATOM 2634 HZ . PHE A 80 ? 44.47865 8.85458 -2.84959 1.000 9.75050 H ? A ? 80 HZ 1
   ATOM 2635 H A PHE A 80 ? 44.66006 12.34582 1.62883 0.390 6.98055 H ? A ? 80 H 1
   ATOM 2636 H C PHE A 80 ? 44.60578 12.49022 1.82066 0.398 6.98055 H ? A ? 80 H 1
   ATOM 2637 H D PHE A 80 ? 44.63207 12.43867 1.73963 0.212 6.98055 H ? A ? 80 H 1
   ATOM 2638 N . GLU A 81 ? 45.46472 12.28866 4.61412 1.000 7.30675 N ? A ? 81 N 1
   ATOM 2639 CA . GLU A 81 ? 45.87297 12.65770 5.92744 1.000 7.78870 C ? A ? 81 CA 1
   ATOM 2640 C . GLU A 81 ? 45.30581 11.87183 7.05391 1.000 8.38592 C ? A ? 81 C 1
   ATOM 2641 O . GLU A 81 ? 45.78926 11.99332 8.18643 1.000 8.80029 O ? A ? 81 O 1
   ATOM 2642 CB . GLU A 81 ? 45.48846 14.11843 6.18190 1.000 10.21175 C ? A ? 81 CB 1
   ATOM 2643 CG . GLU A 81 ? 46.14602 14.99938 5.29321 1.000 9.30175 C ? A ? 81 CG 1
   ATOM 2644 CD . GLU A 81 ? 45.59315 16.44485 5.35614 1.000 11.71219 C ? A ? 81 CD 1
   ATOM 2645 OE1 . GLU A 81 ? 44.84357 16.80860 6.34354 1.000 12.50496 O ? A ? 81 OE1 1
   ATOM 2646 OE2 . GLU A 81 ? 45.93610 17.23892 4.44583 1.000 11.27126 O ? A ? 81 OE2 1
   ATOM 2647 H . GLU A 81 ? 44.76313 12.70413 4.34070 1.000 8.76811 H ? A ? 81 H 1
   ATOM 2648 HA . GLU A 81 ? 46.82935 12.49633 5.94160 1.000 9.34644 H ? A ? 81 HA 1
   ATOM 2649 HB2 . GLU A 81 ? 44.53172 14.22220 6.06038 1.000 12.25410 H ? A ? 81 HB2 1
   ATOM 2650 HB3 . GLU A 81 ? 45.73592 14.36014 7.08813 1.000 12.25410 H ? A ? 81 HB3 1
   ATOM 2651 HG2 . GLU A 81 ? 47.08883 15.02966 5.51924 1.000 11.16210 H ? A ? 81 HG2 1
   ATOM 2652 HG3 . GLU A 81 ? 46.03257 14.67499 4.38613 1.000 11.16210 H ? A ? 81 HG3 1
   HETATM 2653 O1 . SO4 A 83 ? 60.39906 24.07321 -16.09782 0.381 13.83162 O ? B ? . O1 1
   HETATM 2654 O2 . SO4 A 83 ? 61.99029 22.23532 -16.12503 0.381 11.04766 O ? B ? . O2 1
   HETATM 2655 O3 . SO4 A 83 ? 61.55740 23.07838 -18.12063 0.381 15.82113 O ? B ? . O3 1
   HETATM 2656 O4 . SO4 A 83 ? 62.65518 24.58459 -16.59059 0.381 16.30760 O ? B ? . O4 1
   HETATM 2657 S . SO4 A 83 ? 61.62378 23.52024 -16.71999 0.381 9.20648 S ? B ? . S 1
   HETATM 2658 S1 . SF4 A 82 ? 48.86280 29.81400 -5.26563 1.000 4.90008 S ? C ? . S1 1
   HETATM 2659 S2 . SF4 A 82 ? 48.53946 26.33824 -4.17890 1.000 4.26269 S ? C ? . S2 1
   HETATM 2660 S3 . SF4 A 82 ? 49.82799 28.84652 -1.94012 1.000 4.74545 S ? C ? . S3 1
   HETATM 2661 S4 . SF4 A 82 ? 51.78426 27.73368 -4.82792 1.000 4.33264 S ? C ? . S4 1
   HETATM 2662 FE1 . SF4 A 82 ? 50.44857 26.98028 -3.14007 1.000 4.02783 Fe ? C ? . FE1 1
   HETATM 2663 FE2 . SF4 A 82 ? 50.70170 29.56058 -3.93476 1.000 4.50749 Fe ? C ? . FE2 1
   HETATM 2664 FE3 . SF4 A 82 ? 49.67505 27.69047 -5.65320 1.000 4.09075 Fe ? C ? . FE3 1
   HETATM 2665 FE4 . SF4 A 82 ? 48.22715 28.49773 -3.50976 1.000 4.29962 Fe ? C ? . FE4 1
   HETATM 2666 O . HOH A 101 ? 42.49300 18.17062 -8.84893 1.000 4.66614 O ? D ? . O 1
   HETATM 2667 O . HOH A 102 ? 52.63225 21.40583 -1.54717 1.000 6.59387 O ? D ? . O 1
   HETATM 2668 O . HOH A 103 ? 54.48773 26.21720 -6.49084 0.922 6.46406 O ? D ? . O 1
   HETATM 2669 O . HOH A 104 ? 50.11197 14.81084 -0.90408 1.000 6.06897 O ? D ? . O 1
   HETATM 2670 O . HOH A 105 ? 57.01952 18.46980 -16.66358 0.996 7.17534 O ? D ? . O 1
   HETATM 2671 O . HOH A 106 ? 42.34014 16.85543 -18.44739 1.000 7.29115 O ? D ? . O 1
   HETATM 2672 O . HOH A 107 ? 57.81253 14.77619 -16.46406 0.983 8.46820 O ? D ? . O 1
   HETATM 2673 O . HOH A 108 ? 45.52477 14.22479 1.15599 1.000 6.31173 O ? D ? . O 1
   HETATM 2674 O . HOH A 109 ? 39.66457 22.66404 -1.22463 0.907 11.68112 O ? D ? . O 1
   HETATM 2675 O . HOH A 110 ? 49.13345 12.73305 3.26327 0.993 10.29533 O ? D ? . O 1
   HETATM 2676 O . HOH A 111 ? 40.10906 8.67291 -11.20919 0.919 10.45314 O ? D ? . O 1
   HETATM 2677 O . HOH A 112 ? 52.90979 22.84774 -17.13197 1.000 8.24891 O ? D ? . O 1
   HETATM 2678 O . HOH A 113 ? 55.83463 22.64965 -0.54288 0.822 7.20235 O ? D ? . O 1
   HETATM 2679 O . HOH A 114 ? 51.44220 18.90102 0.56740 0.951 9.17365 O ? D ? . O 1
   HETATM 2680 O . HOH A 115 ? 48.28513 14.48759 1.31493 0.992 8.63207 O ? D ? . O 1
   HETATM 2681 O . HOH A 116 ? 50.25418 35.60258 -1.54027 0.985 9.25365 O ? D ? . O 1
   HETATM 2682 O . HOH A 117 ? 50.24621 9.90637 -13.99670 0.989 10.92106 O ? D ? . O 1
   HETATM 2683 O . HOH A 118 ? 33.65573 21.30015 -14.01861 0.944 8.37459 O ? D ? . O 1
   HETATM 2684 O . HOH A 119 ? 59.91918 20.83408 -14.63502 0.969 11.19333 O ? D ? . O 1
   HETATM 2685 O . HOH A 120 ? 48.27334 16.71872 3.06586 0.966 11.35921 O ? D ? . O 1
   HETATM 2686 O . HOH A 121 ? 54.18250 8.33354 -21.47398 1.000 13.68247 O ? D ? . O 1
   HETATM 2687 O . HOH A 122 ? 56.34381 24.54118 2.92488 0.839 8.08473 O ? D ? . O 1
   HETATM 2688 O . HOH A 123 ? 61.07667 15.67670 -7.11164 0.692 19.47333 O ? D ? . O 1
   HETATM 2689 O . HOH A 124 ? 60.10406 23.77170 -6.78871 0.828 9.98692 O ? D ? . O 1
   HETATM 2690 O . HOH A 125 ? 45.38000 12.89523 -18.34230 0.804 10.21355 O ? D ? . O 1
   HETATM 2691 O . HOH A 126 ? 46.00329 25.11746 -17.09145 0.898 10.59689 O ? D ? . O 1
   HETATM 2692 O . HOH A 127 ? 47.54316 33.36996 -6.89051 0.830 9.22894 O ? D ? . O 1
   HETATM 2693 O . HOH A 128 ? 54.49673 19.66637 0.31836 0.988 11.17833 O ? D ? . O 1
   HETATM 2694 O . HOH A 129 ? 40.58338 21.40367 3.27288 0.978 14.04325 O ? D ? . O 1
   HETATM 2695 O . HOH A 130 ? 46.47000 4.62902 -1.19116 0.873 12.99368 O ? D ? . O 1
   HETATM 2696 O . HOH A 131 ? 52.56690 22.28916 6.13974 0.934 11.34981 O ? D ? . O 1
   HETATM 2697 O . HOH A 132 ? 46.35898 35.54961 0.67801 0.935 12.85212 O ? D ? . O 1
   HETATM 2698 O . HOH A 133 ? 38.19996 11.28063 1.54802 1.000 15.72962 O ? D ? . O 1
   HETATM 2699 O . HOH A 134 ? 42.82804 9.91880 -15.87181 0.952 15.45467 O ? D ? . O 1
   HETATM 2700 O . HOH A 135 ? 56.01282 21.46482 -19.48269 0.927 13.12484 O ? D ? . O 1
   HETATM 2701 O . HOH A 136 ? 58.81035 24.39249 -13.77436 0.930 11.03940 O ? D ? . O 1
   HETATM 2702 O . HOH A 137 ? 55.35611 29.59101 -16.78596 0.915 20.35739 O ? D ? . O 1
   HETATM 2703 O . HOH A 138 ? 37.74261 11.04227 -1.14468 1.000 13.93712 O ? D ? . O 1
   HETATM 2704 O . HOH A 139 ? 42.66110 29.73167 1.53702 0.990 14.71701 O ? D ? . O 1
   HETATM 2705 O . HOH A 140 ? 50.98610 32.06795 -12.26837 0.959 14.98666 O ? D ? . O 1
   HETATM 2706 O . HOH A 141 ? 51.09390 18.93768 3.48479 0.818 10.41679 O ? D ? . O 1
   HETATM 2707 O . HOH A 142 ? 55.07209 6.17486 -5.53801 0.847 10.11853 O ? D ? . O 1
   HETATM 2708 O . HOH A 143 ? 56.39341 24.57995 -17.59777 0.970 15.80237 O ? D ? . O 1
   HETATM 2709 O . HOH A 144 ? 57.11299 28.94154 -9.57571 1.000 61.90830 O ? D ? . O 1
   HETATM 2710 O . HOH A 145 ? 38.90528 13.30680 9.11961 0.504 19.16300 O ? D ? . O 1
   HETATM 2711 O . HOH A 146 ? 44.27238 27.26679 -17.50534 0.843 19.59401 O ? D ? . O 1
   HETATM 2712 O . HOH A 147 ? 48.84959 26.68058 -20.04784 0.807 18.18851 O ? D ? . O 1
   HETATM 2714 O . HOH A 149 ? 59.20761 12.91960 -14.77569 0.840 20.07385 O ? D ? . O 1
   HETATM 2715 O . HOH A 150 ? 38.25387 8.46362 -9.29271 0.961 12.76040 O ? D ? . O 1
   HETATM 2716 O . HOH A 151 ? 33.09087 24.22100 -11.63514 0.730 13.76174 O ? D ? . O 1
   HETATM 2717 O . HOH A 152 ? 37.64729 19.34338 -4.47217 0.976 12.80346 O ? D ? . O 1
   HETATM 2718 O . HOH A 153 ? 61.08847 18.97608 -8.57734 0.732 17.87728 O ? D ? . O 1
   HETATM 2719 O . HOH A 154 ? 43.00923 21.86142 5.47890 1.000 45.47425 O ? D ? . O 1
   HETATM 2720 O . HOH A 155 ? 60.55438 24.37183 -1.26460 1.000 23.95477 O ? D ? . O 1
   HETATM 2721 O . HOH A 156 ? 42.46527 15.86414 7.62612 1.000 18.54201 O ? D ? . O 1
   HETATM 2722 O . HOH A 157 ? 42.42274 35.14748 -2.04869 0.997 26.01773 O ? D ? . O 1
   HETATM 2723 O . HOH A 158 ? 43.25418 7.58645 3.05504 0.899 23.06758 O ? D ? . O 1
   HETATM 2724 O . HOH A 159 ? 40.86338 29.62553 -14.64071 0.649 21.31281 O ? D ? . O 1
   HETATM 2726 O . HOH A 161 ? 38.36413 21.78413 -3.80863 0.720 16.12541 O ? D ? . O 1
   HETATM 2727 O . HOH A 162 ? 47.81890 28.54515 -15.33956 1.000 47.53191 O ? D ? . O 1
   HETATM 2728 O . HOH A 163 ? 39.90290 25.37027 -16.09521 0.720 13.56870 O ? D ? . O 1
   HETATM 2729 O . HOH A 164 ? 47.45776 8.73283 6.18272 0.950 10.52433 O ? D ? . O 1
   HETATM 2730 O . HOH A 165 ? 40.10144 28.06905 -7.19907 0.749 11.01901 O ? D ? . O 1
   HETATM 2731 O . HOH A 166 ? 38.06048 24.27331 -9.02219 0.922 15.33438 O ? D ? . O 1
   HETATM 2732 O . HOH A 167 ? 56.45912 19.05276 -20.36294 0.824 15.47266 O ? D ? . O 1
   HETATM 2734 O . HOH A 169 ? 46.90066 19.65733 4.76621 0.923 12.84101 O ? D ? . O 1
   HETATM 2735 O . HOH A 170 ? 60.17420 14.45126 -17.76534 0.456 16.56513 O ? D ? . O 1
   HETATM 2736 O . HOH A 171 ? 60.60000 18.24096 -10.83641 0.592 14.33080 O ? D ? . O 1
   HETATM 2737 O . HOH A 172 ? 44.54812 15.41892 -19.32839 0.999 11.23662 O ? D ? . O 1
   HETATM 2738 O . HOH A 173 ? 55.55864 19.18903 -22.93374 0.717 26.24716 O ? D ? . O 1
   HETATM 2739 O . HOH A 174 ? 39.78719 10.47035 -16.77811 0.589 19.55472 O ? D ? . O 1
   HETATM 2740 O . HOH A 176 ? 50.37799 20.75442 5.43278 0.898 12.89444 O ? D ? . O 1
   HETATM 2741 O . HOH A 177 ? 51.67986 16.19765 0.87288 1.000 7.22090 O ? D ? . O 1
   HETATM 2742 O . HOH A 178 ? 39.52244 13.88759 4.83667 0.996 14.10278 O ? D ? . O 1
   HETATM 2743 O . HOH A 179 ? 41.58883 12.26628 5.99834 1.000 21.32622 O ? D ? . O 1
   HETATM 2744 O . HOH A 180 ? 55.37782 11.72736 -6.07053 0.837 15.47863 O ? D ? . O 1
   HETATM 2745 O . HOH A 181 ? 47.40983 38.17583 0.54987 0.992 15.10292 O ? D ? . O 1
   HETATM 2746 O . HOH A 182 ? 45.67375 34.37457 3.07487 1.000 13.15398 O ? D ? . O 1
   HETATM 2747 O . HOH A 183 ? 50.79571 37.38000 -3.66860 1.000 17.98078 O ? D ? . O 1
   HETATM 2748 O . HOH A 184 ? 55.29553 37.22449 -6.98397 0.752 17.68074 O ? D ? . O 1
   HETATM 2749 O . HOH A 185 ? 54.37676 35.55844 -4.99104 0.703 10.95569 O ? D ? . O 1
   HETATM 2750 O . HOH A 186 ? 46.88750 36.37682 -6.34781 0.777 21.28510 O ? D ? . O 1
   HETATM 2751 O . HOH A 187 ? 47.79468 34.55538 -9.48856 0.903 17.70132 O ? D ? . O 1
   HETATM 2752 O . HOH A 188 ? 52.54664 8.35526 -14.55410 0.928 17.56193 O ? D ? . O 1
   HETATM 2753 O . HOH A 189 ? 44.75862 14.91629 -10.65136 1.000 6.09400 O ? D ? . O 1
   HETATM 2754 O . HOH A 190 ? 39.62110 29.52618 -0.26152 0.635 16.26196 O ? D ? . O 1
   HETATM 2756 O . HOH A 192 ? 38.68023 21.50924 0.99939 0.786 23.36159 O ? D ? . O 1
   HETATM 2757 O . HOH A 193 ? 38.50319 17.82751 3.37554 0.903 17.22057 O ? D ? . O 1
   HETATM 2758 O . HOH A 194 ? 39.63513 16.27405 6.31717 1.000 25.04176 O ? D ? . O 1
   HETATM 2759 O . HOH A 195 ? 55.42067 25.68783 -19.88077 0.718 20.72932 O ? D ? . O 1
   HETATM 2760 O . HOH A 196 ? 47.80592 20.41612 -21.17812 1.000 22.80470 O ? D ? . O 1
   HETATM 2761 O . HOH A 198 ? 47.47559 23.09038 -21.19484 1.000 18.64342 O ? D ? . O 1
   HETATM 2762 O . HOH A 199 ? 65.01167 22.32572 -23.16107 0.942 29.41550 O ? D ? . O 1
   HETATM 2763 O . HOH A 200 ? 52.13882 9.26178 -22.87931 0.791 20.50604 O ? D ? . O 1
   HETATM 2764 O . HOH A 201 ? 38.12023 28.94712 -2.22019 0.833 19.71519 O ? D ? . O 1
   HETATM 2765 O . HOH A 202 ? 40.36170 32.10568 0.75630 0.842 23.25555 O ? D ? . O 1
   HETATM 2766 O . HOH A 203 ? 60.07474 26.57472 -5.97889 0.563 13.22085 O ? D ? . O 1
   HETATM 2767 O . HOH A 204 ? 41.94866 13.58989 8.48115 0.819 15.68005 O ? D ? . O 1
   HETATM 2768 O . HOH A 205 ? 43.87812 12.49884 10.05898 1.000 9.49355 O ? D ? . O 1
   HETATM 2769 O . HOH A 206 ? 50.46738 17.18061 -21.50249 0.797 16.20452 O ? D ? . O 1
   HETATM 2770 O . HOH A 207 ? 61.75646 21.75059 -5.91448 0.793 16.89165 O ? D ? . O 1
   HETATM 2771 O . HOH A 208 ? 53.96031 20.94751 8.02194 0.837 23.56722 O ? D ? . O 1
   HETATM 2773 O . HOH A 210 ? 35.81941 9.56388 -10.66477 0.929 26.57948 O ? D ? . O 1
   HETATM 2774 O . HOH A 211 ? 41.93417 6.62447 -11.79228 0.851 21.43042 O ? D ? . O 1
   HETATM 2775 O . HOH A 212 ? 49.14409 37.38410 -5.58431 0.515 18.88035 O ? D ? . O 1
   HETATM 2776 O . HOH A 213 ? 53.10699 25.55700 -20.92779 0.630 20.64530 O ? D ? . O 1
   HETATM 2777 O . HOH A 214 ? 34.52911 11.54358 -9.45207 0.919 25.67463 O ? D ? . O 1
   HETATM 2778 O . HOH A 215 ? 55.92770 3.69798 -4.98214 1.000 43.69931 O ? D ? . O 1
   HETATM 2782 O . HOH A 219 ? 60.79622 15.67698 -20.55849 0.735 25.87029 O ? D ? . O 1
   HETATM 2783 O . HOH A 220 ? 60.35265 13.07180 -7.39077 0.634 20.64530 O ? D ? . O 1
   HETATM 2784 O . HOH A 221 ? 50.24418 30.55472 -18.57061 0.971 36.37408 O ? D ? . O 1
   HETATM 2785 O . HOH A 222 ? 35.30915 13.42723 -7.13637 0.873 30.08561 O ? D ? . O 1
   HETATM 2786 O . HOH A 223 ? 38.26770 27.14029 -9.04718 0.700 18.76032 O ? D ? . O 1
   HETATM 2787 O . HOH A 224 ? 61.74704 18.41640 -16.75329 0.545 20.87872 O ? D ? . O 1
   HETATM 2788 O . HOH A 226 ? 43.63752 33.20871 -13.79602 0.821 31.41488 O ? D ? . O 1
   HETATM 2789 O . HOH A 227 ? 41.42473 4.47867 -9.82827 0.847 24.59051 O ? D ? . O 1
   HETATM 2790 O . HOH A 228 ? 40.07003 9.77638 3.58388 0.679 20.32519 O ? D ? . O 1
   HETATM 2791 O . HOH A 229 ? 62.43566 23.49958 -12.90619 0.784 42.09301 O ? D ? . O 1
   HETATM 2792 O . HOH A 230 ? 34.81825 10.33522 -12.96766 0.780 21.60446 O ? D ? . O 1
   HETATM 2793 O . HOH A 231 ? 44.80017 30.88947 4.97736 0.512 19.77254 O ? D ? . O 1
   HETATM 2795 O . HOH A 233 ? 36.44617 32.52708 -10.58963 0.864 22.71467 O ? D ? . O 1
   HETATM 2796 O . HOH A 234 ? 45.13246 39.58990 0.73624 0.430 15.30913 O ? D ? . O 1
   HETATM 2799 O . HOH A 237 ? 35.72238 10.98842 2.84403 0.418 17.41821 O ? D ? . O 1
   HETATM 2801 O . HOH A 239 ? 59.61255 19.17689 -17.56507 0.724 20.69883 O ? D ? . O 1
   HETATM 2802 O . HOH A 240 ? 37.48363 23.54595 -2.38742 0.427 16.49569 O ? D ? . O 1
   HETATM 2803 O . HOH A 241 ? 61.26796 16.34294 -9.84004 0.714 21.45941 O ? D ? . O 1
   HETATM 2804 O . HOH A 242 ? 57.44421 26.51124 -15.86005 0.904 12.17997 O ? D ? . O 1
   HETATM 2805 O . HOH A 243 ? 56.85233 7.51970 -7.18346 1.000 44.75158 O ? D ? . O 1
   HETATM 2806 O . HOH A 244 ? 46.80706 22.18896 2.88681 0.807 8.34404 O ? D ? . O 1
   HETATM 2807 O . HOH A 245 ? 61.16745 8.70001 -6.84690 0.919 42.76875 O ? D ? . O 1
   HETATM 2808 O . HOH A 247 ? 57.46612 11.05348 -9.60084 0.601 21.34283 O ? D ? . O 1
   HETATM 2809 O . HOH A 248 ? 61.86551 25.66234 -11.32012 0.506 17.75290 O ? D ? . O 1
   HETATM 2810 O . HOH A 250 ? 62.54839 20.01890 -11.92654 0.488 17.37776 O ? D ? . O 1
   HETATM 2812 O . HOH A 252 ? 59.83679 14.82360 -11.05833 0.603 17.45510 O ? D ? . O 1
   HETATM 2813 O . HOH A 253 ? 33.68556 20.16367 -10.05801 0.946 20.40207 O ? D ? . O 1
   HETATM 2814 O . HOH A 254 ? 38.09057 8.33862 -2.00687 0.922 19.62817 O ? D ? . O 1
   HETATM 2816 O . HOH A 256 ? 49.36788 34.37771 -11.85006 0.745 20.61871 O ? D ? . O 1
   HETATM 2818 O . HOH A 258 ? 34.86508 19.76482 -4.97876 0.611 20.67196 O ? D ? . O 1
   HETATM 2820 O . HOH A 262 ? 59.29446 16.32030 -18.68441 0.881 26.99181 O ? D ? . O 1
   HETATM 2821 O . HOH A 263 ? 58.48763 9.33007 -7.05415 0.676 25.07658 O ? D ? . O 1
   HETATM 3070 O . HOH S 264 ? 39.25537 22.80895 -15.67262 1.000 17.13267 O ? E ? . O 1
   HETATM 3071 O . HOH S 265 ? 47.12630 29.20996 4.87841 1.000 16.54598 O ? E ? . O 1
   HETATM 3073 O . HOH S 267 ? 56.17911 21.03811 5.04659 0.865 23.30114 O ? E ? . O 1
   HETATM 3074 O . HOH S 268 ? 40.19634 20.76734 -2.87312 0.299 8.06838 O ? E ? . O 1
   HETATM 3075 O . HOH S 269 ? 52.42650 5.49714 -9.25895 0.820 27.22622 O ? E ? . O 1
   HETATM 3076 O . HOH S 270 ? 56.52327 28.33866 -19.11062 0.882 24.24748 O ? E ? . O 1
   HETATM 3077 O . HOH S 271 ? 36.59415 22.74398 -5.39652 0.809 33.55285 O ? E ? . O 1
   HETATM 3078 O . HOH S 272 ? 55.45489 12.44208 -8.45370 0.271 8.58083 O ? E ? . O 1
   HETATM 3079 O . HOH S 273 ? 34.19624 14.00990 -9.51745 0.481 13.72019 O ? E ? . O 1
   HETATM 3081 O . HOH S 275 ? 36.58929 26.64263 -1.61598 0.907 30.74917 O ? E ? . O 1
   HETATM 3082 O . HOH S 276 ? 46.21348 16.93873 -20.68462 0.476 17.70717 O ? E ? . O 1
   HETATM 3084 O . HOH S 278 ? 48.02222 28.42192 -18.22186 0.482 17.97298 O ? E ? . O 1
   HETATM 3085 O . HOH S 279 ? 44.65748 31.97285 2.86306 0.367 14.15152 O ? E ? . O 1
   HETATM 3086 O . HOH S 280 ? 62.33964 25.95300 -13.49684 0.352 14.13156 O ? E ? . O 1
   HETATM 3087 O . HOH S 281 ? 63.45854 18.06950 -5.96851 0.934 26.04351 O ? E ? . O 1
   HETATM 3088 O . HOH S 282 ? 51.19319 19.63314 -21.90751 0.737 27.83171 O ? E ? . O 1
   HETATM 3089 O . HOH S 283 ? 52.83027 29.71905 -19.38685 0.910 34.09380 O ? E ? . O 1
   HETATM 3091 O . HOH S 285 ? 62.47620 22.30364 -3.56317 0.736 26.59226 O ? E ? . O 1
   HETATM 3092 O . HOH S 286 ? 44.17014 33.14388 0.04930 0.547 21.91979 O ? E ? . O 1
   HETATM 3093 O . HOH S 287 ? 40.50153 7.45343 2.24787 0.949 25.66518 O ? E ? . O 1
   HETATM 3094 O . HOH S 288 ? 53.76212 21.87461 -21.26674 0.317 9.83021 O ? E ? . O 1
   HETATM 3095 O . HOH S 289 ? 45.40054 5.00324 -10.66070 0.926 27.34057 O ? E ? . O 1
   HETATM 3096 O . HOH S 290 ? 49.97938 30.79466 -15.02772 0.645 21.66183 O ? E ? . O 1
   HETATM 3097 O . HOH S 291 ? 50.86756 37.01254 -6.98798 0.437 19.70286 O ? E ? . O 1
   HETATM 3098 O . HOH S 292 ? 36.17280 22.35459 -7.50956 0.724 22.45003 O ? E ? . O 1
   HETATM 3099 O . HOH S 293 ? 38.15531 32.72565 -3.48668 0.830 28.97268 O ? E ? . O 1
   HETATM 3100 O . HOH S 294 ? 40.05880 33.99215 -1.09306 0.661 20.46180 O ? E ? . O 1
   HETATM 3101 O . HOH S 295 ? 43.45331 35.11138 0.11930 0.531 23.47799 O ? E ? . O 1
   HETATM 3102 O . HOH S 296 ? 46.82959 37.14746 -3.36065 0.710 26.23016 O ? E ? . O 1
   HETATM 3103 O . HOH S 297 ? 47.10795 32.04307 -14.80312 0.573 20.93014 O ? E ? . O 1
   HETATM 3104 O . HOH S 298 ? 49.69513 9.61971 -17.14541 0.428 14.93720 O ? E ? . O 1
   HETATM 3105 O . HOH S 299 ? 38.54075 5.64593 -9.00595 0.715 24.94842 O ? E ? . O 1
   HETATM 3108 O . HOH S 302 ? 38.28328 7.57169 -13.17583 0.903 34.49928 O ? E ? . O 1
   HETATM 3109 O . HOH S 303 ? 42.85780 35.44722 -10.25941 0.852 37.04207 O ? E ? . O 1
   HETATM 3110 O . HOH S 304 ? 33.90249 17.18601 -4.48068 0.464 19.42813 O ? E ? . O 1
   HETATM 3111 O . HOH S 305 ? 54.68326 8.44383 -12.80228 0.648 32.86659 O ? E ? . O 1
   HETATM 3112 O . HOH S 306 ? 37.95070 11.94066 10.78266 0.322 13.47330 O ? E ? . O 1
   HETATM 3114 O . HOH S 308 ? 51.14526 26.49383 -21.02651 0.411 18.19926 O ? E ? . O 1
   HETATM 3115 O . HOH S 309 ? 52.80911 9.47042 -12.76185 0.224 16.41386 O ? E ? . O 1
   HETATM 3116 O . HOH S 310 ? 42.26143 19.34544 6.79533 0.245 10.70939 O ? E ? . O 1
   HETATM 3117 O . HOH S 311 ? 53.35908 19.09862 -24.21248 0.359 15.33779 O ? E ? . O 1
   HETATM 3118 O . HOH S 312 ? 38.55498 29.78214 -13.40005 0.705 26.75277 O ? E ? . O 1
   HETATM 3119 O . HOH S 313 ? 48.10310 17.45558 -21.72474 0.569 26.53421 O ? E ? . O 1
   HETATM 3120 O . HOH S 314 ? 35.91188 25.68468 -11.09651 0.491 24.91596 O ? E ? . O 1
   HETATM 3121 O . HOH S 315 ? 46.19744 8.60493 -18.44970 0.464 20.03703 O ? E ? . O 1
   HETATM 3122 O . HOH S 316 ? 36.29386 18.19074 -0.28119 0.512 23.26926 O ? E ? . O 1
   HETATM 3123 O . HOH S 317 ? 41.15070 33.70259 -12.92326 0.531 22.89100 O ? E ? . O 1
   HETATM 3124 O . HOH S 318 ? 44.78418 23.16736 7.68053 0.489 16.68701 O ? E ? . O 1
   HETATM 3125 O . HOH S 319 ? 34.34677 12.23573 1.05102 0.685 28.49282 O ? E ? . O 1
   HETATM 3126 O . HOH S 320 ? 42.95207 24.11777 6.70642 0.504 30.09745 O ? E ? . O 1
   HETATM 3127 O . HOH S 321 ? 41.69632 6.53534 -4.50729 0.250 9.53772 O ? E ? . O 1
   HETATM 3128 O . HOH S 322 ? 54.12476 25.61018 -23.27932 0.392 20.34667 O ? E ? . O 1
   HETATM 3129 O . HOH S 323 ? 63.41886 14.62604 -15.19698 0.261 13.75567 O ? E ? . O 1
   HETATM 3130 O . HOH S 324 ? 37.82903 30.62188 -3.71292 0.312 14.59536 O ? E ? . O 1
   HETATM 3132 O . HOH S 326 ? 32.16009 36.88426 -7.82379 0.353 20.11032 O ? E ? . O 1
   HETATM 3133 O . HOH S 327 ? 37.28896 19.50141 1.58097 0.446 23.18612 O ? E ? . O 1
   HETATM 3138 O . HOH S 332 ? 35.83342 26.49433 -5.24623 0.684 25.79663 O ? E ? . O 1
   HETATM 3201 O . HOH S 335 ? 59.37556 12.62279 -9.98243 0.639 25.10396 O ? F ? . O 1
   HETATM 3202 O . HOH S 336 ? 41.32662 24.43319 8.10486 0.398 15.58162 O ? F ? . O 1
   HETATM 3204 O . HOH S 338 ? 47.62091 10.51526 -17.81638 0.346 19.53073 O ? F ? . O 1
   HETATM 3206 O . HOH S 340 ? 45.22414 35.41628 -10.38713 0.485 25.06630 O ? F ? . O 1
   HETATM 3208 O . HOH S 342 ? 37.34413 24.54982 -0.48358 0.392 21.62821 O ? F ? . O 1
   HETATM 3211 O . HOH S 345 ? 50.90565 36.22982 -11.60141 0.272 16.66541 O ? F ? . O 1
   HETATM 3213 O . HOH S 347 ? 46.34701 21.28795 6.45146 0.296 18.83258 O ? F ? . O 1
   HETATM 3215 O . HOH S 349 ? 60.41443 24.64056 -12.55961 0.351 21.49527 O ? F ? . O 1
   HETATM 3216 O . HOH S 350 ? 33.39135 14.86022 -3.63945 0.352 21.08217 O ? F ? . O 1
   HETATM 3217 O . HOH S 351 ? 37.49746 28.22696 -11.65073 0.467 27.92636 O ? F ? . O 1
   HETATM 3219 O . HOH S 353 ? 40.19823 35.75146 -13.03792 0.395 21.67743 O ? F ? . O 1
   HETATM 3220 O . HOH S 354 ? 36.46822 20.05084 -1.43208 0.621 38.39226 O ? F ? . O 1
   HETATM 3221 O . HOH S 355 ? 52.77298 36.04706 -8.29897 0.486 29.11499 O ? F ? . O 1
   HETATM 3223 O . HOH S 357 ? 35.11899 7.45446 -6.95743 0.360 29.03813 O ? F ? . O 1
   HETATM 3227 O . HOH S 361 ? 61.46817 21.04989 -7.86287 0.471 23.59128 O ? F ? . O 1
   HETATM 3229 O . HOH S 363 ? 48.17350 34.11228 -14.09904 0.584 37.33857 O ? F ? . O 1
   HETATM 3230 O . HOH S 364 ? 40.18390 4.68451 -0.45015 0.463 31.52493 O ? F ? . O 1
   HETATM 3232 O . HOH S 366 ? 38.30343 27.74788 -0.09270 0.374 34.96152 O ? F ? . O 1
   HETATM 3233 O . HOH S 367 ? 42.14072 29.91187 4.67297 0.402 28.20565 O ? F ? . O 1
   HETATM 3252 O . HOH S 369 ? 57.10328 20.96645 3.16608 0.593 19.26063 O ? G ? . O 1
   HETATM 3253 O . HOH S 370 ? 60.85690 24.76594 -9.26029 0.565 15.16394 O ? G ? . O 1
   HETATM 3254 O . HOH S 371 ? 38.40845 12.07547 6.57268 0.495 19.42158 O ? G ? . O 1
   HETATM 3255 O . HOH S 372 ? 41.85038 4.06029 -5.69181 0.485 23.20957 O ? G ? . O 1
   HETATM 3256 O . HOH S 373 ? 34.85000 15.85753 0.00000 0.618 33.46395 O ? G ? . O 1
   HETATM 3260 O . HOH S 377 ? 53.77539 7.22163 -9.31082 0.279 14.41974 O ? G ? . O 1
   HETATM 3261 O . HOH S 378 ? 58.79430 22.81787 -18.17709 0.269 11.53254 O ? G ? . O 1
   HETATM 3263 O . HOH S 380 ? 33.61291 12.78806 -5.45548 0.312 13.23074 O ? G ? . O 1
   HETATM 3264 O . HOH S 381 ? 33.90189 15.03660 -7.19476 0.268 14.91713 O ? G ? . O 1
   HETATM 3266 O . HOH S 383 ? 33.52646 21.54995 -7.78288 0.377 19.53139 O ? G ? . O 1
   HETATM 3272 O . HOH S 389 ? 39.89407 28.32284 5.23196 0.263 15.96911 O ? G ? . O 1
   HETATM 3274 O . HOH S 391 ? 39.51530 18.80335 6.19822 0.389 24.85125 O ? G ? . O 1
   HETATM 3276 O . HOH S 393 ? 34.59344 20.48472 -2.69062 0.215 13.68676 O ? G ? . O 1
   HETATM 3278 O . HOH S 395 ? 46.06835 30.45855 -17.27574 0.274 16.92244 O ? G ? . O 1
   HETATM 3293 O . HOH S 397 ? 42.73738 5.18894 -2.31608 0.952 35.94780 O ? H ? . O 1
   HETATM 3294 O . HOH S 398 ? 61.10518 12.29193 -14.82108 0.538 23.15834 O ? H ? . O 1
   HETATM 3295 O . HOH S 399 ? 35.08904 14.63451 -1.54014 0.756 34.17426 O ? H ? . O 1
   HETATM 3296 O . HOH S 400 ? 45.21696 13.30661 -20.15425 0.206 9.32836 O ? H ? . O 1
   HETATM 3303 O . HOH S 407 ? 32.73545 19.89655 -5.52897 0.498 31.28531 O ? H ? . O 1
   HETATM 3306 O . HOH S 410 ? 52.71883 20.28012 10.46763 0.342 18.40096 O ? H ? . O 1
   HETATM 3307 O . HOH S 411 ? 38.39613 39.22416 -6.59829 0.468 30.61028 O ? H ? . O 1
   HETATM 3308 O . HOH S 412 ? 35.26070 8.04527 -3.66768 0.449 26.95605 O ? H ? . O 1
   HETATM 3309 O . HOH S 413 ? 38.86285 4.17549 -3.01813 0.627 37.45067 O ? H ? . O 1
   HETATM 3328 O . HOH S 424 ? 56.64273 6.94066 -9.35989 0.202 19.07571 O ? I ? . O 1
   HETATM 3329 O . HOH S 425 ? 33.48134 36.25485 -11.41105 0.351 23.03583 O ? I ? . O 1
   HETATM 3330 O . HOH S 426 ? 39.76791 11.62240 9.49113 0.513 30.99481 O ? I ? . O 1
   HETATM 3331 O . HOH S 427 ? 63.25464 10.07429 -8.36972 0.350 24.22129 O ? I ? . O 1

data_comp_SO4
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.charge
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   SO4 S S S 0 1.474 16.5170 34.9547 5.4718
   SO4 O1 O OS 0 -0.869 17.8362 34.8083 4.7766
   SO4 O2 O OS 0 -0.868 16.6534 35.9274 6.6034
   SO4 O3 O OS -1 -0.869 15.4961 35.4603 4.4975
   SO4 O4 O OS -1 -0.868 16.0830 33.6233 6.0060

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   SO4 S O1 deloc 1.498 0.020 1.498
   SO4 S O2 deloc 1.498 0.020 1.498
   SO4 S O3 deloc 1.499 0.020 1.499
   SO4 S O4 deloc 1.499 0.020 1.499

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   SO4 O4 S O3 109.51 3.000
   SO4 O4 S O2 109.50 3.000
   SO4 O3 S O2 109.51 3.000
   SO4 O4 S O1 109.48 3.000
   SO4 O3 S O1 109.33 3.000
   SO4 O2 S O1 109.49 3.000

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   SO4 SO4 'sulfate                  ' ligand 5 5 .

data_comp_SF4
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
   SF4 FE1 FE FE 0 . 16.2190 -0.9470 41.5710
   SF4 FE2 FE FE 0 . 14.9120 1.3570 42.1980
   SF4 FE3 FE FE 0 . 17.2470 0.7470 43.4250
   SF4 FE4 FE FE 0 . 14.9620 -0.7040 43.9540
   SF4 S1 S S 0 . 15.3010 1.5110 44.4140
   SF4 S2 S S 0 . 17.0770 -1.5320 43.5500
   SF4 S3 S S 0 . 13.9710 -0.7190 41.9620
   SF4 S4 S S 0 . 16.9920 1.1960 41.2660

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
   SF4 FE1 S2 single 2.28 0.03 2.28
   SF4 FE1 S3 single 2.28 0.03 2.28
   SF4 FE1 S4 single 2.28 0.03 2.28
   SF4 FE2 S1 single 2.28 0.03 2.28
   SF4 FE2 S3 single 2.28 0.03 2.28
   SF4 FE2 S4 single 2.28 0.03 2.28
   SF4 FE3 S1 single 2.28 0.03 2.28
   SF4 FE3 S2 single 2.28 0.03 2.28
   SF4 FE3 S4 single 2.28 0.03 2.28
   SF4 FE4 S1 single 2.28 0.03 2.28
   SF4 FE4 S2 single 2.28 0.03 2.28
   SF4 FE4 S3 single 2.28 0.03 2.28

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
   SF4 S4 FE1 S3 104.1 1.5
   SF4 S4 FE1 S2 104.1 1.5
   SF4 S3 FE1 S2 104.1 1.5
   SF4 S4 FE2 S3 104.1 1.5
   SF4 S4 FE2 S1 104.1 1.5
   SF4 S3 FE2 S1 104.1 1.5
   SF4 S4 FE3 S2 104.1 1.5
   SF4 S4 FE3 S1 104.1 1.5
   SF4 S2 FE3 S1 104.1 1.5
   SF4 S3 FE4 S2 104.1 1.5
   SF4 S3 FE4 S1 104.1 1.5
   SF4 S2 FE4 S1 104.1 1.5
   SF4 FE4 S1 FE3 73.7 1.5
   SF4 FE4 S1 FE2 73.7 1.5
   SF4 FE3 S1 FE2 73.7 1.5
   SF4 FE4 S2 FE3 73.7 1.5
   SF4 FE4 S2 FE1 73.7 1.5
   SF4 FE3 S2 FE1 73.7 1.5
   SF4 FE4 S3 FE2 73.7 1.5
   SF4 FE4 S3 FE1 73.7 1.5
   SF4 FE2 S3 FE1 73.7 1.5
   SF4 FE3 S4 FE2 73.7 1.5
   SF4 FE3 S4 FE1 73.7 1.5
   SF4 FE2 S4 FE1 73.7 1.5

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
   SF4 chir_01 FE1 S2 S3 S4 negativ
   SF4 chir_02 FE2 S3 S4 S1 positiv
   SF4 chir_03 FE3 S4 S1 S2 negativ
   SF4 chir_04 FE4 S1 S2 S3 positiv

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
   SF4 SF4 'Iron/sulfur cluster' Ion/Group/Compound 8 8 .

