data_6yf2_qFit
_cell.length_a                    57.482
_cell.length_b                    57.482
_cell.length_c                    54.469
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      179975.394
_space_group.crystal_system       tetragonal
_space_group.IT_number            94
_space_group.name_H-M_alt         'P 42 21 2'
_space_group.name_Hall            ' P 4n 2n'
_symmetry.space_group_name_H-M    'P 42 21 2'
_symmetry.space_group_name_Hall   ' P 4n 2n'
_symmetry.Int_Tables_number       94
_reflns.B_iso_Wilson_estimate     7.73
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              19.77
_refine.ls_d_res_high             1.03
_refine.pdbx_ls_sigma_F           1.38
_refine.ls_percent_reflns_obs     97.59
_refine.ls_number_reflns_obs      44572
_refine.ls_number_reflns_R_work   42544
_refine.ls_number_reflns_R_free   2028
_refine.ls_R_factor_obs           0.1425
_refine.ls_R_factor_R_work        0.1420
_refine.ls_R_factor_R_free        0.1539
_refine.ls_percent_reflns_R_free  4.55
_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             0.0647
_refine.pdbx_overall_phase_error  13.5932
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                9.86
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 -y+1/2,x+1/2,z+1/2
   3 y+1/2,-x+1/2,z+1/2
   4 x+1/2,-y+1/2,-z+1/2
   5 -x+1/2,y+1/2,-z+1/2
   6 -x,-y,z
   7 y,x,-z
   8 -y,-x,-z

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

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

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

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

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 1780 0.0104 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2425 1.2372 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 259 0.0886 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 323 0.0086 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 762 12.9901 ? ?

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' 2.48 19.77 3345 0.1533 99.94 0.1725 164
   'X-RAY DIFFRACTION' 1.97 2.48 3194 0.1386 100.00 0.1290 157
   'X-RAY DIFFRACTION' 1.72 1.97 3145 0.1280 100.00 0.1443 143
   'X-RAY DIFFRACTION' 1.56 1.72 3132 0.1426 99.97 0.1505 149
   'X-RAY DIFFRACTION' 1.45 1.56 3108 0.1335 99.97 0.1431 153
   'X-RAY DIFFRACTION' 1.37 1.45 3088 0.1351 100.00 0.1657 139
   'X-RAY DIFFRACTION' 1.30 1.37 3101 0.1375 100.00 0.1262 149
   'X-RAY DIFFRACTION' 1.24 1.30 3085 0.1346 100.00 0.1699 151
   'X-RAY DIFFRACTION' 1.19 1.24 3061 0.1418 99.97 0.1575 146
   'X-RAY DIFFRACTION' 1.15 1.19 3086 0.1378 100.00 0.1748 137
   'X-RAY DIFFRACTION' 1.12 1.15 3060 0.1391 100.00 0.1368 149
   'X-RAY DIFFRACTION' 1.08 1.12 3007 0.1459 97.40 0.1496 135
   'X-RAY DIFFRACTION' 1.06 1.08 2757 0.1544 90.13 0.1823 138
   'X-RAY DIFFRACTION' 1.03 1.06 2375 0.1608 78.22 0.1577 118

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale ILE A 7 CD1 ILE A 8 CD1 . LYS A 73 NZ LYS A 74 NZ . 'Bond created based on atom type and distance.'
   C00002 covale THR A 27 CG2 THR A 28 CG2 . LYS A 35 NZ LYS A 36 NZ . 'Bond created based on atom type and distance.'

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 3.54356 2.42580 . . 25.62398 1.50364 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Cd . . 36.69012 11.13669 . . 1.60906 22.94611 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Cl . . 9.50761 7.44341 . . 1.04373 23.83732 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   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 . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Na1+ . . 5.56094 4.42395 . . 7.30808 1.06976 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CD
   CL
   CYS
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   NA
   OP5
   PHE
   PRO
   SER
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . PRO A 0 ? -13.06715 22.97983 20.60046 1.000 26.06501 N ? A ? 1 N 1
   ATOM 2 CA . PRO A 0 ? -12.80256 22.00785 19.54930 1.000 18.57456 C ? A ? 1 CA 1
   ATOM 3 C . PRO A 0 ? -11.82906 20.93741 20.02247 1.000 11.12495 C ? A ? 1 C 1
   ATOM 4 O . PRO A 0 ? -10.97824 21.18188 20.89525 1.000 12.27037 O ? A ? 1 O 1
   ATOM 5 CB . PRO A 0 ? -12.19904 22.84938 18.43760 1.000 22.96703 C ? A ? 1 CB 1
   ATOM 6 CG . PRO A 0 ? -11.56529 24.01653 19.16641 1.000 25.10241 C ? A ? 1 CG 1
   ATOM 7 CD . PRO A 0 ? -12.38395 24.26662 20.38322 1.000 27.37914 C ? A ? 1 CD 1
   ATOM 8 H2 . PRO A 0 ? -12.77035 22.61374 21.43681 1.000 31.27801 H ? A ? 1 H2 1
   ATOM 9 H3 . PRO A 0 ? -14.01314 23.13881 20.63847 1.000 31.27801 H ? A ? 1 H3 1
   ATOM 10 HA . PRO A 0 ? -13.61749 21.59607 19.22185 1.000 22.28947 H ? A ? 1 HA 1
   ATOM 11 HB2 . PRO A 0 ? -11.53433 22.33574 17.95259 1.000 27.56044 H ? A ? 1 HB2 1
   ATOM 12 HB3 . PRO A 0 ? -12.89368 23.14985 17.83089 1.000 27.56044 H ? A ? 1 HB3 1
   ATOM 13 HG2 . PRO A 0 ? -10.65496 23.78782 19.41113 1.000 30.12289 H ? A ? 1 HG2 1
   ATOM 14 HG3 . PRO A 0 ? -11.56781 24.79644 18.58967 1.000 30.12289 H ? A ? 1 HG3 1
   ATOM 15 HD2 . PRO A 0 ? -11.81923 24.48992 21.13961 1.000 32.85497 H ? A ? 1 HD2 1
   ATOM 16 HD3 . PRO A 0 ? -13.02613 24.97674 20.22757 1.000 32.85497 H ? A ? 1 HD3 1
   ATOM 17 N . GLY A 1 ? -12.01174 19.74778 19.46328 1.000 9.54569 N ? A ? 2 N 1
   ATOM 18 CA . GLY A 1 ? -11.12579 18.64634 19.76730 1.000 8.15927 C ? A ? 2 CA 1
   ATOM 19 C . GLY A 1 ? -9.66832 18.94162 19.47078 1.000 6.76038 C ? A ? 2 C 1
   ATOM 20 O . GLY A 1 ? -8.78017 18.58919 20.26075 1.000 7.74886 O ? A ? 2 O 1
   ATOM 21 H . GLY A 1 ? -12.63948 19.55667 18.90738 1.000 11.45483 H ? A ? 2 H 1
   ATOM 22 HA2 . GLY A 1 ? -11.20298 18.42890 20.70946 1.000 9.79113 H ? A ? 2 HA2 1
   ATOM 23 HA3 . GLY A 1 ? -11.38908 17.87427 19.24242 1.000 9.79113 H ? A ? 2 HA3 1
   ATOM 24 N . VAL A 2 ? -9.40413 19.59025 18.32680 1.000 6.82859 N ? A ? 3 N 1
   ATOM 25 CA . VAL A 2 ? -8.04874 19.98754 17.99460 1.000 6.37979 C ? A ? 3 CA 1
   ATOM 26 C . VAL A 2 ? -8.09277 21.32351 17.27118 1.000 6.23328 C ? A ? 3 C 1
   ATOM 27 O . VAL A 2 ? -8.97842 21.57747 16.45630 1.000 7.40378 O ? A ? 3 O 1
   ATOM 28 CB . VAL A 2 ? -7.28655 18.91101 17.18333 1.000 7.86651 C ? A ? 3 CB 1
   ATOM 29 CG1 . VAL A 2 ? -7.97573 18.59996 15.86681 1.000 10.06534 C ? A ? 3 CG1 1
   ATOM 30 CG2 . VAL A 2 ? -5.81724 19.28632 16.99423 1.000 6.97892 C ? A ? 3 CG2 1
   ATOM 31 H . VAL A 2 ? -9.99495 19.80443 17.73973 1.000 8.19431 H ? A ? 3 H 1
   ATOM 32 HA . VAL A 2 ? -7.55299 20.11517 18.81852 1.000 7.65575 H ? A ? 3 HA 1
   ATOM 33 HB . VAL A 2 ? -7.29979 18.08879 17.69780 1.000 9.43982 H ? A ? 3 HB 1
   ATOM 34 HG11 . VAL A 2 ? -7.51760 17.86058 15.43749 1.000 12.07841 H ? A ? 3 HG11 1
   ATOM 35 HG12 . VAL A 2 ? -8.89893 18.35978 16.04267 1.000 12.07841 H ? A ? 3 HG12 1
   ATOM 36 HG13 . VAL A 2 ? -7.94075 19.38544 15.29874 1.000 12.07841 H ? A ? 3 HG13 1
   ATOM 37 HG21 . VAL A 2 ? -5.34932 18.53779 16.59217 1.000 8.37471 H ? A ? 3 HG21 1
   ATOM 38 HG22 . VAL A 2 ? -5.76149 20.06154 16.41387 1.000 8.37471 H ? A ? 3 HG22 1
   ATOM 39 HG23 . VAL A 2 ? -5.43004 19.49229 17.85941 1.000 8.37471 H ? A ? 3 HG23 1
   ATOM 40 N A GLN A 3 ? -7.15126 22.20093 17.61455 0.381 6.41688 N ? A ? 4 N 1
   ATOM 41 CA A GLN A 3 ? -6.83956 23.39167 16.85035 0.381 7.75071 C ? A ? 4 CA 1
   ATOM 42 C A GLN A 3 ? -5.47007 23.17357 16.23969 0.381 5.98542 C ? A ? 4 C 1
   ATOM 43 O A GLN A 3 ? -4.57000 22.62866 16.88567 0.381 5.87605 O ? A ? 4 O 1
   ATOM 44 CB A GLN A 3 ? -6.76343 24.60405 17.76751 0.381 9.74371 C ? A ? 4 CB 1
   ATOM 45 CG A GLN A 3 ? -8.01846 24.81630 18.56647 0.381 12.51383 C ? A ? 4 CG 1
   ATOM 46 CD A GLN A 3 ? -7.80572 25.73474 19.73250 0.381 14.91993 C ? A ? 4 CD 1
   ATOM 47 OE1 A GLN A 3 ? -7.70204 26.95086 19.56794 0.381 13.95001 O ? A ? 4 OE1 1
   ATOM 48 NE2 A GLN A 3 ? -7.73532 25.16512 20.93881 0.381 13.29831 N ? A ? 4 NE2 1
   ATOM 49 H A GLN A 3 ? -6.66252 22.11845 18.31735 0.381 7.70026 H ? A ? 4 H 1
   ATOM 50 HA A GLN A 3 ? -7.50758 23.55706 16.16676 0.381 9.30086 H ? A ? 4 HA 1
   ATOM 51 HB2 A GLN A 3 ? -6.02947 24.48216 18.38988 0.381 11.69245 H ? A ? 4 HB2 1
   ATOM 52 HB3 A GLN A 3 ? -6.61370 25.39693 17.22915 0.381 11.69245 H ? A ? 4 HB3 1
   ATOM 53 HG2 A GLN A 3 ? -8.69661 25.20801 17.99413 0.381 15.01660 H ? A ? 4 HG2 1
   ATOM 54 HG3 A GLN A 3 ? -8.32562 23.96193 18.90794 0.381 15.01660 H ? A ? 4 HG3 1
   ATOM 55 HE21 A GLN A 3 ? -7.81119 24.31201 21.01658 0.381 15.95797 H ? A ? 4 HE21 1
   ATOM 56 HE22 A GLN A 3 ? -7.61413 25.65152 21.63761 0.381 15.95797 H ? A ? 4 HE22 1
   ATOM 57 N B GLN A 3 ? -7.06855 22.14535 17.51616 0.347 6.35518 N ? A ? 4 N 1
   ATOM 58 CA B GLN A 3 ? -6.80126 23.36055 16.77105 0.347 7.93775 C ? A ? 4 CA 1
   ATOM 59 C B GLN A 3 ? -5.39396 23.23123 16.20587 0.347 6.10036 C ? A ? 4 C 1
   ATOM 60 O B GLN A 3 ? -4.44905 22.93791 16.95113 0.347 6.54428 O ? A ? 4 O 1
   ATOM 61 CB B GLN A 3 ? -6.84582 24.56935 17.69735 0.347 9.85906 C ? A ? 4 CB 1
   ATOM 62 CG B GLN A 3 ? -7.97731 24.55381 18.70092 0.347 13.77559 C ? A ? 4 CG 1
   ATOM 63 CD B GLN A 3 ? -7.67171 25.42476 19.88410 0.347 16.74843 C ? A ? 4 CD 1
   ATOM 64 OE1 B GLN A 3 ? -6.98777 26.42618 19.74440 0.347 19.07307 O ? A ? 4 OE1 1
   ATOM 65 NE2 B GLN A 3 ? -8.16829 25.05625 21.05993 0.347 16.11389 N ? A ? 4 NE2 1
   ATOM 66 H B GLN A 3 ? -6.49269 22.00660 18.13964 0.347 7.62622 H ? A ? 4 H 1
   ATOM 67 HA B GLN A 3 ? -7.44852 23.48187 16.05884 0.347 9.52530 H ? A ? 4 HA 1
   ATOM 68 HB2 B GLN A 3 ? -6.01412 24.60717 18.19509 0.347 11.83087 H ? A ? 4 HB2 1
   ATOM 69 HB3 B GLN A 3 ? -6.94555 25.36853 17.15673 0.347 11.83087 H ? A ? 4 HB3 1
   ATOM 70 HG2 B GLN A 3 ? -8.78573 24.88423 18.27881 0.347 16.53071 H ? A ? 4 HG2 1
   ATOM 71 HG3 B GLN A 3 ? -8.11461 23.64686 19.01632 0.347 16.53071 H ? A ? 4 HG3 1
   ATOM 72 HE21 B GLN A 3 ? -8.64441 24.34269 21.12106 0.347 19.33667 H ? A ? 4 HE21 1
   ATOM 73 HE22 B GLN A 3 ? -8.01361 25.53126 21.75996 0.347 19.33667 H ? A ? 4 HE22 1
   ATOM 74 N C GLN A 3 ? -7.10239 22.17150 17.58388 0.272 6.50858 N ? A ? 4 N 1
   ATOM 75 CA C GLN A 3 ? -6.85576 23.41787 16.88546 0.272 7.59614 C ? A ? 4 CA 1
   ATOM 76 C C GLN A 3 ? -5.42054 23.41595 16.39192 0.272 6.48627 C ? A ? 4 C 1
   ATOM 77 O C GLN A 3 ? -4.48400 23.16317 17.16194 0.272 5.46034 O ? A ? 4 O 1
   ATOM 78 CB C GLN A 3 ? -7.05720 24.62642 17.79269 0.272 10.38157 C ? A ? 4 CB 1
   ATOM 79 CG C GLN A 3 ? -8.49375 24.93423 18.12557 0.272 13.28890 C ? A ? 4 CG 1
   ATOM 80 CD C GLN A 3 ? -8.61187 25.89842 19.29252 0.272 15.99764 C ? A ? 4 CD 1
   ATOM 81 OE1 C GLN A 3 ? -8.92638 27.07550 19.11589 0.272 17.35265 O ? A ? 4 OE1 1
   ATOM 82 NE2 C GLN A 3 ? -8.36044 25.39814 20.49827 0.272 18.06781 N ? A ? 4 NE2 1
   ATOM 83 H C GLN A 3 ? -6.54445 22.03158 18.22321 0.273 7.81030 H ? A ? 4 H 1
   ATOM 84 HA C GLN A 3 ? -7.46714 23.48567 16.13545 0.273 9.11537 H ? A ? 4 HA 1
   ATOM 85 HB2 C GLN A 3 ? -6.59233 24.46465 18.62852 0.273 12.45789 H ? A ? 4 HB2 1
   ATOM 86 HB3 C GLN A 3 ? -6.68612 25.40700 17.35236 0.273 12.45789 H ? A ? 4 HB3 1
   ATOM 87 HG2 C GLN A 3 ? -8.92073 25.33815 17.35392 0.273 15.94668 H ? A ? 4 HG2 1
   ATOM 88 HG3 C GLN A 3 ? -8.94939 24.11184 18.36425 0.273 15.94668 H ? A ? 4 HG3 1
   ATOM 89 HE21 C GLN A 3 ? -8.14479 24.57002 20.58380 0.273 21.68137 H ? A ? 4 HE21 1
   ATOM 90 HE22 C GLN A 3 ? -8.41343 25.90262 21.19273 0.273 21.68137 H ? A ? 4 HE22 1
   ATOM 91 N A VAL A 4 ? -5.30657 23.60615 15.00089 0.381 5.96225 N ? A ? 5 N 1
   ATOM 92 CA A VAL A 4 ? -4.03272 23.50675 14.29231 0.381 6.33669 C ? A ? 5 CA 1
   ATOM 93 C A VAL A 4 ? -3.53530 24.92873 14.03953 0.381 6.10016 C ? A ? 5 C 1
   ATOM 94 O A VAL A 4 ? -4.22822 25.72005 13.38698 0.381 5.37356 O ? A ? 5 O 1
   ATOM 95 CB A VAL A 4 ? -4.21881 22.77367 12.94717 0.381 7.90720 C ? A ? 5 CB 1
   ATOM 96 CG1 A VAL A 4 ? -2.89511 22.65589 12.22199 0.381 6.59064 C ? A ? 5 CG1 1
   ATOM 97 CG2 A VAL A 4 ? -4.90204 21.41246 13.14416 0.381 7.58880 C ? A ? 5 CG2 1
   ATOM 98 H A VAL A 4 ? -5.93131 23.97033 14.53541 0.381 7.15470 H ? A ? 5 H 1
   ATOM 99 HA A VAL A 4 ? -3.38615 23.03374 14.83923 0.381 7.60403 H ? A ? 5 HA 1
   ATOM 100 HB A VAL A 4 ? -4.80994 23.29503 12.38179 0.381 9.48864 H ? A ? 5 HB 1
   ATOM 101 HG11 A VAL A 4 ? -3.01544 22.10535 11.43248 0.381 7.90877 H ? A ? 5 HG11 1
   ATOM 102 HG12 A VAL A 4 ? -2.59595 23.54205 11.96486 0.381 7.90877 H ? A ? 5 HG12 1
   ATOM 103 HG13 A VAL A 4 ? -2.24558 22.24656 12.81483 0.381 7.90877 H ? A ? 5 HG13 1
   ATOM 104 HG21 A VAL A 4 ? -4.74004 20.86170 12.36229 0.381 9.10657 H ? A ? 5 HG21 1
   ATOM 105 HG22 A VAL A 4 ? -4.53243 20.98472 13.93241 0.381 9.10657 H ? A ? 5 HG22 1
   ATOM 106 HG23 A VAL A 4 ? -5.85513 21.55121 13.25931 0.381 9.10657 H ? A ? 5 HG23 1
   ATOM 107 N B VAL A 4 ? -5.25728 23.45278 14.89944 0.347 5.77187 N ? A ? 5 N 1
   ATOM 108 CA B VAL A 4 ? -3.99219 23.31008 14.18482 0.347 6.52053 C ? A ? 5 CA 1
   ATOM 109 C B VAL A 4 ? -3.51297 24.70476 13.80040 0.347 5.11567 C ? A ? 5 C 1
   ATOM 110 O B VAL A 4 ? -4.10611 25.36712 12.95031 0.347 5.37703 O ? A ? 5 O 1
   ATOM 111 CB B VAL A 4 ? -4.14308 22.40988 12.94847 0.347 6.76736 C ? A ? 5 CB 1
   ATOM 112 CG1 B VAL A 4 ? -2.81126 22.25152 12.28573 0.347 8.22027 C ? A ? 5 CG1 1
   ATOM 113 CG2 B VAL A 4 ? -4.71950 21.06659 13.36167 0.347 7.91267 C ? A ? 5 CG2 1
   ATOM 114 H B VAL A 4 ? -5.90616 23.69492 14.38962 0.347 6.92624 H ? A ? 5 H 1
   ATOM 115 HA B VAL A 4 ? -3.33086 22.91820 14.77641 0.347 7.82463 H ? A ? 5 HA 1
   ATOM 116 HB B VAL A 4 ? -4.75291 22.81041 12.30926 0.347 8.12083 H ? A ? 5 HB 1
   ATOM 117 HG11 B VAL A 4 ? -2.88312 21.58076 11.58872 0.347 9.86433 H ? A ? 5 HG11 1
   ATOM 118 HG12 B VAL A 4 ? -2.54705 23.10170 11.90065 0.347 9.86433 H ? A ? 5 HG12 1
   ATOM 119 HG13 B VAL A 4 ? -2.16017 21.97180 12.94811 0.347 9.86433 H ? A ? 5 HG13 1
   ATOM 120 HG21 B VAL A 4 ? -4.64230 20.44780 12.61867 0.347 9.49520 H ? A ? 5 HG21 1
   ATOM 121 HG22 B VAL A 4 ? -4.22307 20.73110 14.12449 0.347 9.49520 H ? A ? 5 HG22 1
   ATOM 122 HG23 B VAL A 4 ? -5.65264 21.18306 13.59955 0.347 9.49520 H ? A ? 5 HG23 1
   ATOM 123 N C VAL A 4 ? -5.25554 23.71443 15.11030 0.272 5.66894 N ? A ? 5 N 1
   ATOM 124 CA C VAL A 4 ? -3.94915 23.68092 14.44891 0.272 5.19542 C ? A ? 5 CA 1
   ATOM 125 C C VAL A 4 ? -3.45550 25.11582 14.25649 0.272 4.40271 C ? A ? 5 C 1
   ATOM 126 O C VAL A 4 ? -4.19675 25.98322 13.75289 0.272 6.60489 O ? A ? 5 O 1
   ATOM 127 CB C VAL A 4 ? -4.07751 22.96691 13.08076 0.272 8.10596 C ? A ? 5 CB 1
   ATOM 128 CG1 C VAL A 4 ? -2.72969 22.92263 12.34518 0.272 7.42831 C ? A ? 5 CG1 1
   ATOM 129 CG2 C VAL A 4 ? -4.68045 21.53882 13.21537 0.272 8.55447 C ? A ? 5 CG2 1
   ATOM 130 H C VAL A 4 ? -5.89802 23.94523 14.58727 0.273 6.80273 H ? A ? 5 H 1
   ATOM 131 HA C VAL A 4 ? -3.30740 23.21413 15.00673 0.273 6.23450 H ? A ? 5 HA 1
   ATOM 132 HB C VAL A 4 ? -4.69600 23.48727 12.54447 0.273 9.72715 H ? A ? 5 HB 1
   ATOM 133 HG11 C VAL A 4 ? -2.81295 22.34865 11.56768 0.273 8.91397 H ? A ? 5 HG11 1
   ATOM 134 HG12 C VAL A 4 ? -2.49105 23.82130 12.06886 0.273 8.91397 H ? A ? 5 HG12 1
   ATOM 135 HG13 C VAL A 4 ? -2.05380 22.57065 12.94533 0.273 8.91397 H ? A ? 5 HG13 1
   ATOM 136 HG21 C VAL A 4 ? -4.65862 21.10383 12.34865 0.273 10.26536 H ? A ? 5 HG21 1
   ATOM 137 HG22 C VAL A 4 ? -4.15342 21.03234 13.85303 0.273 10.26536 H ? A ? 5 HG22 1
   ATOM 138 HG23 C VAL A 4 ? -5.59641 21.61077 13.52639 0.273 10.26536 H ? A ? 5 HG23 1
   ATOM 139 N A GLU A 5 ? -2.33519 25.24416 14.53059 0.381 5.66600 N ? A ? 6 N 1
   ATOM 140 CA A GLU A 5 ? -1.69580 26.52906 14.25026 0.381 6.04234 C ? A ? 6 CA 1
   ATOM 141 C A GLU A 5 ? -0.35714 26.29129 13.57497 0.381 6.67701 C ? A ? 6 C 1
   ATOM 142 O A GLU A 5 ? 0.49508 25.56947 14.12057 0.381 6.26387 O ? A ? 6 O 1
   ATOM 143 CB A GLU A 5 ? -1.51465 27.37120 15.50559 0.381 8.14671 C ? A ? 6 CB 1
   ATOM 144 CG A GLU A 5 ? -2.81689 27.86276 16.07817 0.381 7.75091 C ? A ? 6 CG 1
   ATOM 145 CD A GLU A 5 ? -2.61781 28.90849 17.14316 0.381 11.64776 C ? A ? 6 CD 1
   ATOM 146 OE1 A GLU A 5 ? -1.45176 29.15577 17.50911 0.381 14.12571 O ? A ? 6 OE1 1
   ATOM 147 OE2 A GLU A 5 ? -3.62173 29.49183 17.61059 0.381 14.34785 O ? A ? 6 OE2 1
   ATOM 148 H A GLU A 5 ? -1.86897 24.72464 15.03292 0.381 6.79920 H ? A ? 6 H 1
   ATOM 149 HA A GLU A 5 ? -2.26603 27.02219 13.63988 0.381 7.25080 H ? A ? 6 HA 1
   ATOM 150 HB2 A GLU A 5 ? -1.07334 26.83521 16.18298 0.381 9.77606 H ? A ? 6 HB2 1
   ATOM 151 HB3 A GLU A 5 ? -0.97170 28.14538 15.28937 0.381 9.77606 H ? A ? 6 HB3 1
   ATOM 152 HG2 A GLU A 5 ? -3.34856 28.25394 15.36740 0.381 9.30109 H ? A ? 6 HG2 1
   ATOM 153 HG3 A GLU A 5 ? -3.29147 27.11544 16.47464 0.381 9.30109 H ? A ? 6 HG3 1
   ATOM 154 N B GLU A 5 ? -2.43550 25.15330 14.41951 0.347 5.21414 N ? A ? 6 N 1
   ATOM 155 CA B GLU A 5 ? -1.82739 26.42843 14.08871 0.347 5.67814 C ? A ? 6 CA 1
   ATOM 156 C B GLU A 5 ? -0.49941 26.13472 13.42170 0.347 5.76583 C ? A ? 6 C 1
   ATOM 157 O B GLU A 5 ? 0.20901 25.19587 13.81005 0.347 4.72772 O ? A ? 6 O 1
   ATOM 158 CB B GLU A 5 ? -1.67492 27.29941 15.33866 0.347 7.18253 C ? A ? 6 CB 1
   ATOM 159 CG B GLU A 5 ? -3.05563 27.60127 15.98722 0.347 9.62254 C ? A ? 6 CG 1
   ATOM 160 CD B GLU A 5 ? -3.04859 28.14193 17.43335 0.347 11.32946 C ? A ? 6 CD 1
   ATOM 161 OE1 B GLU A 5 ? -2.21504 27.75050 18.28010 0.347 14.24253 O ? A ? 6 OE1 1
   ATOM 162 OE2 B GLU A 5 ? -3.94980 28.95648 17.73120 0.347 15.79139 O ? A ? 6 OE2 1
   ATOM 163 H B GLU A 5 ? -2.03032 24.72802 15.04766 0.347 6.25697 H ? A ? 6 H 1
   ATOM 164 HA B GLU A 5 ? -2.36943 26.94496 13.47204 0.347 6.81377 H ? A ? 6 HA 1
   ATOM 165 HB2 B GLU A 5 ? -1.12551 26.83475 15.98915 0.347 8.61904 H ? A ? 6 HB2 1
   ATOM 166 HB3 B GLU A 5 ? -1.25985 28.14156 15.09493 0.347 8.61904 H ? A ? 6 HB3 1
   ATOM 167 HG2 B GLU A 5 ? -3.50451 28.26512 15.44067 0.347 11.54705 H ? A ? 6 HG2 1
   ATOM 168 HG3 B GLU A 5 ? -3.56833 26.77790 15.99700 0.347 11.54705 H ? A ? 6 HG3 1
   ATOM 169 N C GLU A 5 ? -2.20549 25.36315 14.64309 0.272 5.33744 N ? A ? 6 N 1
   ATOM 170 CA C GLU A 5 ? -1.54819 26.66049 14.45016 0.272 4.41159 C ? A ? 6 CA 1
   ATOM 171 C C GLU A 5 ? -0.24557 26.43517 13.68610 0.272 6.41382 C ? A ? 6 C 1
   ATOM 172 O C GLU A 5 ? 0.69292 25.85649 14.27621 0.272 5.43801 O ? A ? 6 O 1
   ATOM 173 CB C GLU A 5 ? -1.29545 27.31565 15.80872 0.272 7.85749 C ? A ? 6 CB 1
   ATOM 174 CG C GLU A 5 ? -2.56914 27.77822 16.44010 0.272 9.73018 C ? A ? 6 CG 1
   ATOM 175 CD C GLU A 5 ? -2.38223 28.25865 17.85732 0.272 13.60831 C ? A ? 6 CD 1
   ATOM 176 OE1 C GLU A 5 ? -1.59461 27.64279 18.60339 0.272 16.28809 O ? A ? 6 OE1 1
   ATOM 177 OE2 C GLU A 5 ? -3.01922 29.26306 18.22440 0.272 17.43186 O ? A ? 6 OE2 1
   ATOM 178 H C GLU A 5 ? -1.70291 24.78206 15.02954 0.273 6.40493 H ? A ? 6 H 1
   ATOM 179 HA C GLU A 5 ? -2.10272 27.24689 13.91207 0.273 5.29391 H ? A ? 6 HA 1
   ATOM 180 HB2 C GLU A 5 ? -0.87650 26.67237 16.40165 0.273 9.42898 H ? A ? 6 HB2 1
   ATOM 181 HB3 C GLU A 5 ? -0.71601 28.08457 15.69077 0.273 9.42898 H ? A ? 6 HB3 1
   ATOM 182 HG2 C GLU A 5 ? -2.93004 28.51331 15.92021 0.273 11.67621 H ? A ? 6 HG2 1
   ATOM 183 HG3 C GLU A 5 ? -3.19967 27.04126 16.45478 0.273 11.67621 H ? A ? 6 HG3 1
   ATOM 184 N . THR A 6 ? -0.16660 26.86865 12.39948 1.000 5.87368 N ? A ? 7 N 1
   ATOM 185 CA . THR A 6 ? 1.00747 26.56544 11.59636 1.000 6.03866 C ? A ? 7 CA 1
   ATOM 186 C . THR A 6 ? 2.22006 27.38105 12.00686 1.000 4.97597 C ? A ? 7 C 1
   ATOM 187 O . THR A 6 ? 2.18618 28.60755 12.05334 1.000 6.61534 O ? A ? 7 O 1
   ATOM 188 CB . THR A 6 ? 0.68858 26.78636 10.10994 1.000 6.67485 C ? A ? 7 CB 1
   ATOM 189 OG1 . THR A 6 ? -0.35367 25.87904 9.70699 1.000 9.08896 O ? A ? 7 OG1 1
   ATOM 190 CG2 . THR A 6 ? 1.87941 26.50486 9.24412 1.000 7.75905 C ? A ? 7 CG2 1
   ATOM 191 HA . THR A 6 ? 1.24512 25.63669 11.74416 1.000 7.24639 H ? A ? 7 HA 1
   ATOM 192 HB . THR A 6 ? 0.42013 27.71073 9.98999 1.000 8.00982 H ? A ? 7 HB 1
   ATOM 193 HG1 . THR A 6 ? -0.81161 25.65310 10.37395 1.000 10.90675 H ? A ? 7 HG1 1
   ATOM 194 HG21 . THR A 6 ? 1.60494 26.42928 8.31684 1.000 9.31086 H ? A ? 7 HG21 1
   ATOM 195 HG22 . THR A 6 ? 2.52497 27.22445 9.32369 1.000 9.31086 H ? A ? 7 HG22 1
   ATOM 196 HG23 . THR A 6 ? 2.29897 25.67395 9.51697 1.000 9.31086 H ? A ? 7 HG23 1
   ATOM 197 H A THR A 6 ? -0.70212 27.43984 12.04372 0.381 7.04841 H ? A ? 7 H 1
   ATOM 198 H B THR A 6 ? -0.60426 27.56102 12.13741 0.347 7.04841 H ? A ? 7 H 1
   ATOM 199 H C THR A 6 ? -0.77225 27.32640 11.99542 0.273 7.04841 H ? A ? 7 H 1
   ATOM 200 N A ILE A 7 ? 3.34187 26.67063 12.21192 0.311 5.66226 N ? A ? 8 N 1
   ATOM 201 CA A ILE A 7 ? 4.66097 27.26133 12.44300 0.311 6.40823 C ? A ? 8 CA 1
   ATOM 202 C A ILE A 7 ? 5.45375 27.39728 11.13642 0.311 5.13543 C ? A ? 8 C 1
   ATOM 203 O A ILE A 7 ? 6.03750 28.45197 10.84941 0.311 6.54720 O ? A ? 8 O 1
   ATOM 204 CB A ILE A 7 ? 5.41404 26.39737 13.48752 0.311 6.91998 C ? A ? 8 CB 1
   ATOM 205 CG1 A ILE A 7 ? 4.61413 26.21774 14.79725 0.311 7.01879 C ? A ? 8 CG1 1
   ATOM 206 CG2 A ILE A 7 ? 6.81528 26.95959 13.75102 0.311 8.70168 C ? A ? 8 CG2 1
   ATOM 207 CD1 A ILE A 7 ? 5.03835 24.97229 15.65217 0.311 7.41204 C ? A ? 8 CD1 1
   ATOM 208 H A ILE A 7 ? 3.36118 25.81090 12.22143 0.311 6.79471 H ? A ? 8 H 1
   ATOM 209 HA A ILE A 7 ? 4.55416 28.15681 12.80021 0.311 7.68988 H ? A ? 8 HA 1
   ATOM 210 HB A ILE A 7 ? 5.50940 25.51093 13.10539 0.311 8.30397 H ? A ? 8 HB 1
   ATOM 211 HG12 A ILE A 7 ? 4.73977 27.00702 15.34693 0.311 8.42255 H ? A ? 8 HG12 1
   ATOM 212 HG13 A ILE A 7 ? 3.67569 26.11445 14.57463 0.311 8.42255 H ? A ? 8 HG13 1
   ATOM 213 HG21 A ILE A 7 ? 7.19333 26.51509 14.52588 0.311 10.44202 H ? A ? 8 HG21 1
   ATOM 214 HG22 A ILE A 7 ? 7.37168 26.79838 12.97300 0.311 10.44202 H ? A ? 8 HG22 1
   ATOM 215 HG23 A ILE A 7 ? 6.74700 27.91283 13.91708 0.311 10.44202 H ? A ? 8 HG23 1
   ATOM 216 HD11 A ILE A 7 ? 4.42369 24.87589 16.39635 0.311 8.89445 H ? A ? 8 HD11 1
   ATOM 217 HD12 A ILE A 7 ? 5.00769 24.18021 15.09308 0.311 8.89445 H ? A ? 8 HD12 1
   ATOM 218 HD13 A ILE A 7 ? 5.93982 25.10876 15.98327 0.311 8.89445 H ? A ? 8 HD13 1
   ATOM 219 N B ILE A 7 ? 3.33374 26.66381 12.24482 0.263 5.65826 N ? A ? 8 N 1
   ATOM 220 CA B ILE A 7 ? 4.63799 27.28041 12.50255 0.263 6.52325 C ? A ? 8 CA 1
   ATOM 221 C B ILE A 7 ? 5.35049 27.53251 11.18461 0.263 5.77696 C ? A ? 8 C 1
   ATOM 222 O B ILE A 7 ? 5.79105 28.65591 10.90987 0.263 6.24993 O ? A ? 8 O 1
   ATOM 223 CB B ILE A 7 ? 5.52252 26.41555 13.42558 0.263 6.97878 C ? A ? 8 CB 1
   ATOM 224 CG1 B ILE A 7 ? 4.97741 26.47015 14.84406 0.263 7.05124 C ? A ? 8 CG1 1
   ATOM 225 CG2 B ILE A 7 ? 6.99755 26.89036 13.40655 0.263 7.75128 C ? A ? 8 CG2 1
   ATOM 226 CD1 B ILE A 7 ? 5.66707 25.52718 15.80006 0.263 10.96884 C ? A ? 8 CD1 1
   ATOM 227 H B ILE A 7 ? 3.35468 25.80423 12.26147 0.263 6.78991 H ? A ? 8 H 1
   ATOM 228 HA B ILE A 7 ? 4.47897 28.12911 12.94450 0.263 7.82790 H ? A ? 8 HA 1
   ATOM 229 HB B ILE A 7 ? 5.49943 25.50296 13.09766 0.263 8.37453 H ? A ? 8 HB 1
   ATOM 230 HG12 B ILE A 7 ? 5.08839 27.37110 15.18592 0.263 8.46149 H ? A ? 8 HG12 1
   ATOM 231 HG13 B ILE A 7 ? 4.03628 26.23601 14.82529 0.263 8.46149 H ? A ? 8 HG13 1
   ATOM 232 HG21 B ILE A 7 ? 7.50083 26.38390 14.06314 0.263 9.30153 H ? A ? 8 HG21 1
   ATOM 233 HG22 B ILE A 7 ? 7.36562 26.74214 12.52142 0.263 9.30153 H ? A ? 8 HG22 1
   ATOM 234 HG23 B ILE A 7 ? 7.02795 27.83531 13.62345 0.263 9.30153 H ? A ? 8 HG23 1
   ATOM 235 HD11 B ILE A 7 ? 5.66600 25.92001 16.68696 0.263 13.16261 H ? A ? 8 HD11 1
   ATOM 236 HD12 B ILE A 7 ? 5.18879 24.68337 15.81145 0.263 13.16261 H ? A ? 8 HD12 1
   ATOM 237 HD13 B ILE A 7 ? 6.57926 25.38636 15.50176 0.263 13.16261 H ? A ? 8 HD13 1
   ATOM 238 N C ILE A 7 ? 3.31178 26.65737 12.24932 0.426 5.55510 N ? A ? 8 N 1
   ATOM 239 CA C ILE A 7 ? 4.61143 27.23516 12.54855 0.426 6.43061 C ? A ? 8 CA 1
   ATOM 240 C C ILE A 7 ? 5.41508 27.46230 11.28395 0.426 5.86192 C ? A ? 8 C 1
   ATOM 241 O C ILE A 7 ? 6.11961 28.47319 11.17585 0.426 5.97047 O ? A ? 8 O 1
   ATOM 242 CB C ILE A 7 ? 5.33562 26.30501 13.53860 0.426 6.56337 C ? A ? 8 CB 1
   ATOM 243 CG1 C ILE A 7 ? 4.63020 26.32359 14.88915 0.426 7.67457 C ? A ? 8 CG1 1
   ATOM 244 CG2 C ILE A 7 ? 6.82050 26.67353 13.68446 0.426 7.64900 C ? A ? 8 CG2 1
   ATOM 245 CD1 C ILE A 7 ? 5.16412 25.29515 15.86045 0.426 7.42130 C ? A ? 8 CD1 1
   ATOM 246 H C ILE A 7 ? 3.32282 25.79745 12.24549 0.426 6.66612 H ? A ? 8 H 1
   ATOM 247 HA C ILE A 7 ? 4.50050 28.10344 12.96649 0.426 7.71673 H ? A ? 8 HA 1
   ATOM 248 HB C ILE A 7 ? 5.29862 25.40423 13.18066 0.426 7.87605 H ? A ? 8 HB 1
   ATOM 249 HG12 C ILE A 7 ? 4.74484 27.19928 15.29030 0.426 9.20949 H ? A ? 8 HG12 1
   ATOM 250 HG13 C ILE A 7 ? 3.68718 26.14219 14.75241 0.426 9.20949 H ? A ? 8 HG13 1
   ATOM 251 HG21 C ILE A 7 ? 7.18081 26.22877 14.46757 0.426 9.17880 H ? A ? 8 HG21 1
   ATOM 252 HG22 C ILE A 7 ? 7.29720 26.38385 12.89090 0.426 9.17880 H ? A ? 8 HG22 1
   ATOM 253 HG23 C ILE A 7 ? 6.89884 27.63513 13.78483 0.426 9.17880 H ? A ? 8 HG23 1
   ATOM 254 HD11 C ILE A 7 ? 4.54758 25.21385 16.60487 0.426 8.90555 H ? A ? 8 HD11 1
   ATOM 255 HD12 C ILE A 7 ? 5.24639 24.44295 15.40450 0.426 8.90555 H ? A ? 8 HD12 1
   ATOM 256 HD13 C ILE A 7 ? 6.03294 25.58425 16.18058 0.426 8.90555 H ? A ? 8 HD13 1
   ATOM 257 N A SER A 8 ? 5.47121 26.34720 10.31141 0.311 5.21555 N ? A ? 9 N 1
   ATOM 258 CA A SER A 8 ? 6.12422 26.37602 9.00369 0.311 5.25791 C ? A ? 9 CA 1
   ATOM 259 C A SER A 8 ? 5.16000 25.71186 8.01830 0.311 5.22829 C ? A ? 9 C 1
   ATOM 260 O A SER A 8 ? 4.57465 24.65968 8.33539 0.311 5.20474 O ? A ? 9 O 1
   ATOM 261 CB A SER A 8 ? 7.47001 25.65465 9.04069 0.311 8.15937 C ? A ? 9 CB 1
   ATOM 262 OG A SER A 8 ? 8.30192 26.30977 9.98700 0.311 13.04484 O ? A ? 9 OG 1
   ATOM 263 H A SER A 8 ? 5.10319 25.59126 10.49230 0.311 6.25865 H ? A ? 9 H 1
   ATOM 264 HA A SER A 8 ? 6.30186 27.28713 8.72223 0.311 6.30949 H ? A ? 9 HA 1
   ATOM 265 HB2 A SER A 8 ? 7.33754 24.73149 9.30738 0.311 9.79124 H ? A ? 9 HB2 1
   ATOM 266 HB3 A SER A 8 ? 7.88310 25.69064 8.16378 0.311 9.79124 H ? A ? 9 HB3 1
   ATOM 267 HG A SER A 8 ? 9.06040 25.94905 10.00108 0.311 15.65381 H ? A ? 9 HG 1
   ATOM 268 N B SER A 8 ? 5.49504 26.48252 10.37458 0.263 5.74838 N ? A ? 9 N 1
   ATOM 269 CA B SER A 8 ? 6.06958 26.65458 9.05041 0.263 5.92121 C ? A ? 9 CA 1
   ATOM 270 C B SER A 8 ? 5.25762 25.84279 8.04655 0.263 4.78520 C ? A ? 9 C 1
   ATOM 271 O B SER A 8 ? 4.78237 24.74176 8.37027 0.263 5.36081 O ? A ? 9 O 1
   ATOM 272 CB B SER A 8 ? 7.54722 26.27843 8.95956 0.263 6.40861 C ? A ? 9 CB 1
   ATOM 273 OG B SER A 8 ? 7.76635 24.93747 9.35043 0.263 9.23588 O ? A ? 9 OG 1
   ATOM 274 H B SER A 8 ? 5.26985 25.67617 10.57126 0.263 6.89805 H ? A ? 9 H 1
   ATOM 275 HA B SER A 8 ? 6.01026 27.59478 8.81930 0.263 7.10545 H ? A ? 9 HA 1
   ATOM 276 HB2 B SER A 8 ? 7.84261 26.38934 8.04231 0.263 7.69033 H ? A ? 9 HB2 1
   ATOM 277 HB3 B SER A 8 ? 8.05529 26.86198 9.54457 0.263 7.69033 H ? A ? 9 HB3 1
   ATOM 278 HG B SER A 8 ? 8.57628 24.73799 9.25125 0.263 11.08305 H ? A ? 9 HG 1
   ATOM 279 N C SER A 8 ? 5.30880 26.52176 10.33828 0.426 5.74042 N ? A ? 9 N 1
   ATOM 280 CA C SER A 8 ? 5.93872 26.68359 9.03844 0.426 6.15239 C ? A ? 9 CA 1
   ATOM 281 C C SER A 8 ? 5.14105 25.83564 8.04516 0.426 4.91104 C ? A ? 9 C 1
   ATOM 282 O C SER A 8 ? 4.77591 24.69547 8.37889 0.426 5.37083 O ? A ? 9 O 1
   ATOM 283 CB C SER A 8 ? 7.40288 26.27490 9.03610 0.426 5.93208 C ? A ? 9 CB 1
   ATOM 284 OG C SER A 8 ? 8.11576 26.90616 7.98364 0.426 7.47635 O ? A ? 9 OG 1
   ATOM 285 H C SER A 8 ? 4.87607 25.78458 10.43268 0.426 6.88850 H ? A ? 9 H 1
   ATOM 286 HA C SER A 8 ? 5.90470 27.61444 8.76777 0.426 7.38286 H ? A ? 9 HA 1
   ATOM 287 HB2 C SER A 8 ? 7.80125 26.53149 9.88248 0.426 7.11850 H ? A ? 9 HB2 1
   ATOM 288 HB3 C SER A 8 ? 7.45973 25.31348 8.92060 0.426 7.11850 H ? A ? 9 HB3 1
   ATOM 289 HG C SER A 8 ? 7.76095 26.72134 7.24503 0.426 8.97162 H ? A ? 9 HG 1
   ATOM 290 N A PRO A 9 ? 4.91195 26.29651 6.84519 0.311 5.29665 N ? A ? 10 N 1
   ATOM 291 CA A PRO A 9 ? 3.88639 25.72202 5.95445 0.311 5.77590 C ? A ? 10 CA 1
   ATOM 292 C A PRO A 9 ? 4.36096 24.42725 5.30625 0.311 6.16483 C ? A ? 10 C 1
   ATOM 293 O A PRO A 9 ? 5.54426 24.25262 5.01020 0.311 6.15507 O ? A ? 10 O 1
   ATOM 294 CB A PRO A 9 ? 3.65313 26.82015 4.92701 0.311 7.58788 C ? A ? 10 CB 1
   ATOM 295 CG A PRO A 9 ? 4.93645 27.62775 4.93648 0.311 7.81613 C ? A ? 10 CG 1
   ATOM 296 CD A PRO A 9 ? 5.44038 27.57767 6.35055 0.311 6.70081 C ? A ? 10 CD 1
   ATOM 297 HA A PRO A 9 ? 3.06208 25.55342 6.43714 0.311 6.93109 H ? A ? 10 HA 1
   ATOM 298 HB2 A PRO A 9 ? 3.49317 26.42941 4.05371 0.311 9.10545 H ? A ? 10 HB2 1
   ATOM 299 HB3 A PRO A 9 ? 2.89553 27.36575 5.19016 0.311 9.10545 H ? A ? 10 HB3 1
   ATOM 300 HG2 A PRO A 9 ? 5.57858 27.22927 4.32837 0.311 9.37935 H ? A ? 10 HG2 1
   ATOM 301 HG3 A PRO A 9 ? 4.75015 28.54166 4.67008 0.311 9.37935 H ? A ? 10 HG3 1
   ATOM 302 HD2 A PRO A 9 ? 6.41010 27.58417 6.37308 0.311 8.04097 H ? A ? 10 HD2 1
   ATOM 303 HD3 A PRO A 9 ? 5.09150 28.31953 6.86903 0.311 8.04097 H ? A ? 10 HD3 1
   ATOM 304 N B PRO A 9 ? 5.06700 26.36561 6.83790 0.263 5.32064 N ? A ? 10 N 1
   ATOM 305 CA B PRO A 9 ? 4.12010 25.74434 5.89744 0.263 5.57172 C ? A ? 10 CA 1
   ATOM 306 C B PRO A 9 ? 4.58564 24.38127 5.40296 0.263 5.83095 C ? A ? 10 C 1
   ATOM 307 O B PRO A 9 ? 5.77391 24.04397 5.39655 0.263 5.96291 O ? A ? 10 O 1
   ATOM 308 CB B PRO A 9 ? 4.04779 26.76329 4.75880 0.263 6.02230 C ? A ? 10 CB 1
   ATOM 309 CG B PRO A 9 ? 4.42600 28.08685 5.40711 0.263 5.02671 C ? A ? 10 CG 1
   ATOM 310 CD B PRO A 9 ? 5.50514 27.69556 6.39554 0.263 6.52771 C ? A ? 10 CD 1
   ATOM 311 HA B PRO A 9 ? 3.24866 25.64096 6.31073 0.263 6.68606 H ? A ? 10 HA 1
   ATOM 312 HB2 B PRO A 9 ? 4.67640 26.52508 4.05951 0.263 7.22676 H ? A ? 10 HB2 1
   ATOM 313 HB3 B PRO A 9 ? 3.14766 26.79572 4.39879 0.263 7.22676 H ? A ? 10 HB3 1
   ATOM 314 HG2 B PRO A 9 ? 4.76535 28.70430 4.74041 0.263 6.03205 H ? A ? 10 HG2 1
   ATOM 315 HG3 B PRO A 9 ? 3.65867 28.47347 5.85728 0.263 6.03205 H ? A ? 10 HG3 1
   ATOM 316 HD2 B PRO A 9 ? 6.37257 27.65033 5.96377 0.263 7.83325 H ? A ? 10 HD2 1
   ATOM 317 HD3 B PRO A 9 ? 5.53702 28.31677 7.13984 0.263 7.83325 H ? A ? 10 HD3 1
   ATOM 318 N C PRO A 9 ? 4.84687 26.34473 6.84395 0.426 5.11119 N ? A ? 10 N 1
   ATOM 319 CA C PRO A 9 ? 3.89571 25.64524 5.95759 0.426 5.92627 C ? A ? 10 CA 1
   ATOM 320 C C PRO A 9 ? 4.46674 24.36253 5.36076 0.426 5.81580 C ? A ? 10 C 1
   ATOM 321 O C PRO A 9 ? 5.68012 24.18106 5.21626 0.426 5.99271 O ? A ? 10 O 1
   ATOM 322 CB C PRO A 9 ? 3.58925 26.67904 4.88700 0.426 7.54944 C ? A ? 10 CB 1
   ATOM 323 CG C PRO A 9 ? 4.78061 27.56885 4.86957 0.426 7.49134 C ? A ? 10 CG 1
   ATOM 324 CD C PRO A 9 ? 5.25116 27.63978 6.30372 0.426 6.80218 C ? A ? 10 CD 1
   ATOM 325 HA C PRO A 9 ? 3.08639 25.42237 6.44361 0.426 7.11153 H ? A ? 10 HA 1
   ATOM 326 HB2 C PRO A 9 ? 3.46836 26.24215 4.02944 0.426 9.05933 H ? A ? 10 HB2 1
   ATOM 327 HB3 C PRO A 9 ? 2.78882 27.17341 5.12323 0.426 9.05933 H ? A ? 10 HB3 1
   ATOM 328 HG2 C PRO A 9 ? 5.46703 27.18811 4.29968 0.426 8.98961 H ? A ? 10 HG2 1
   ATOM 329 HG3 C PRO A 9 ? 4.52977 28.44781 4.54490 0.426 8.98961 H ? A ? 10 HG3 1
   ATOM 330 HD2 C PRO A 9 ? 6.21404 27.74851 6.34773 0.426 8.16261 H ? A ? 10 HD2 1
   ATOM 331 HD3 C PRO A 9 ? 4.81346 28.36471 6.77679 0.426 8.16261 H ? A ? 10 HD3 1
   ATOM 332 N A GLY A 10 ? 3.40496 23.53704 5.04851 0.311 6.00995 N ? A ? 11 N 1
   ATOM 333 CA A GLY A 10 ? 3.64901 22.34368 4.26879 0.311 5.64270 C ? A ? 11 CA 1
   ATOM 334 C A GLY A 10 ? 3.48718 22.59352 2.77798 0.311 5.00702 C ? A ? 11 C 1
   ATOM 335 O A GLY A 10 ? 3.23454 23.71524 2.33959 0.311 5.07102 O ? A ? 11 O 1
   ATOM 336 H A GLY A 10 ? 2.59309 23.60957 5.32275 0.311 7.21194 H ? A ? 11 H 1
   ATOM 337 HA2 A GLY A 10 ? 4.55281 22.03140 4.43163 0.311 6.77124 H ? A ? 11 HA2 1
   ATOM 338 HA3 A GLY A 10 ? 3.02318 21.65167 4.53403 0.311 6.77124 H ? A ? 11 HA3 1
   ATOM 339 N B GLY A 10 ? 3.61704 23.60322 4.96943 0.263 5.55287 N ? A ? 11 N 1
   ATOM 340 CA B GLY A 10 ? 3.86178 22.37481 4.23827 0.263 6.09483 C ? A ? 11 CA 1
   ATOM 341 C B GLY A 10 ? 3.99148 22.58348 2.74360 0.263 5.93122 C ? A ? 11 C 1
   ATOM 342 O B GLY A 10 ? 4.44847 23.63235 2.27319 0.263 5.26054 O ? A ? 11 O 1
   ATOM 343 H B GLY A 10 ? 2.78167 23.76886 5.08914 0.263 6.66345 H ? A ? 11 H 1
   ATOM 344 HA2 B GLY A 10 ? 4.68396 21.97261 4.55944 0.263 7.31379 H ? A ? 11 HA2 1
   ATOM 345 HA3 B GLY A 10 ? 3.12757 21.76053 4.39477 0.263 7.31379 H ? A ? 11 HA3 1
   ATOM 346 N C GLY A 10 ? 3.55295 23.49037 4.97664 0.426 5.84863 N ? A ? 11 N 1
   ATOM 347 CA C GLY A 10 ? 3.85804 22.30380 4.21067 0.426 6.15603 C ? A ? 11 CA 1
   ATOM 348 C C GLY A 10 ? 3.77570 22.54726 2.71917 0.426 6.27794 C ? A ? 11 C 1
   ATOM 349 O C GLY A 10 ? 3.84291 23.68984 2.24637 0.426 6.39427 O ? A ? 11 O 1
   ATOM 350 H C GLY A 10 ? 2.71560 23.56937 5.15607 0.426 7.01836 H ? A ? 11 H 1
   ATOM 351 HA2 C GLY A 10 ? 4.75642 22.00607 4.42321 0.426 7.38724 H ? A ? 11 HA2 1
   ATOM 352 HA3 C GLY A 10 ? 3.22978 21.60173 4.44150 0.426 7.38724 H ? A ? 11 HA3 1
   ATOM 353 N A ASP A 11 ? 3.61923 21.50647 1.99343 0.311 5.52352 N ? A ? 12 N 1
   ATOM 354 CA A ASP A 11 ? 3.62672 21.63792 0.53937 0.311 5.90505 C ? A ? 12 CA 1
   ATOM 355 C A ASP A 11 ? 2.29935 22.14895 0.00198 0.311 6.09218 C ? A ? 12 C 1
   ATOM 356 O A ASP A 11 ? 2.23706 22.56126 -1.16215 0.311 6.97652 O ? A ? 12 O 1
   ATOM 357 CB A ASP A 11 ? 4.10747 20.35423 -0.18332 0.311 6.09834 C ? A ? 12 CB 1
   ATOM 358 CG A ASP A 11 ? 3.19362 19.14086 0.00524 0.311 6.64023 C ? A ? 12 CG 1
   ATOM 359 OD1 A ASP A 11 ? 2.02054 19.30947 0.39474 0.311 6.16596 O ? A ? 12 OD1 1
   ATOM 360 OD2 A ASP A 11 ? 3.67376 18.01257 -0.28652 0.311 7.72605 O ? A ? 12 OD2 1
   ATOM 361 H A ASP A 11 ? 3.70397 20.70041 2.28098 0.311 6.62823 H ? A ? 12 H 1
   ATOM 362 HA A ASP A 11 ? 4.30356 22.29130 0.30296 0.311 7.08606 H ? A ? 12 HA 1
   ATOM 363 HB2 A ASP A 11 ? 4.16016 20.53591 -1.13470 0.311 7.31801 H ? A ? 12 HB2 1
   ATOM 364 HB3 A ASP A 11 ? 4.98374 20.11654 0.15807 0.311 7.31801 H ? A ? 12 HB3 1
   ATOM 365 N B ASP A 11 ? 3.60950 21.55129 1.98855 0.263 5.52443 N ? A ? 12 N 1
   ATOM 366 CA B ASP A 11 ? 3.59432 21.61329 0.53691 0.263 5.93154 C ? A ? 12 CA 1
   ATOM 367 C B ASP A 11 ? 2.22991 21.99711 -0.01013 0.263 6.38672 C ? A ? 12 C 1
   ATOM 368 O B ASP A 11 ? 2.08939 22.16826 -1.22499 0.263 7.05809 O ? A ? 12 O 1
   ATOM 369 CB B ASP A 11 ? 4.10866 20.29726 -0.09459 0.263 6.27867 C ? A ? 12 CB 1
   ATOM 370 CG B ASP A 11 ? 3.03928 19.21671 -0.23207 0.263 6.83414 C ? A ? 12 CG 1
   ATOM 371 OD1 B ASP A 11 ? 2.09415 19.17057 0.57207 0.263 6.42627 O ? A ? 12 OD1 1
   ATOM 372 OD2 B ASP A 11 ? 3.17547 18.38485 -1.16190 0.263 5.57938 O ? A ? 12 OD2 1
   ATOM 373 H B ASP A 11 ? 3.35153 20.79431 2.30483 0.263 6.62931 H ? A ? 12 H 1
   ATOM 374 HA B ASP A 11 ? 4.22282 22.29406 0.24980 0.263 7.11785 H ? A ? 12 HA 1
   ATOM 375 HB2 B ASP A 11 ? 4.44904 20.48989 -0.98225 0.263 7.53441 H ? A ? 12 HB2 1
   ATOM 376 HB3 B ASP A 11 ? 4.81811 19.94080 0.46264 0.263 7.53441 H ? A ? 12 HB3 1
   ATOM 377 N C ASP A 11 ? 3.64663 21.45171 1.96033 0.426 5.44064 N ? A ? 12 N 1
   ATOM 378 CA C ASP A 11 ? 3.63069 21.56420 0.51393 0.426 5.92215 C ? A ? 12 CA 1
   ATOM 379 C C ASP A 11 ? 2.29966 22.07170 -0.03027 0.426 6.29051 C ? A ? 12 C 1
   ATOM 380 O C ASP A 11 ? 2.23715 22.40738 -1.21900 0.426 7.00362 O ? A ? 12 O 1
   ATOM 381 CB C ASP A 11 ? 4.12063 20.27545 -0.18567 0.426 6.16543 C ? A ? 12 CB 1
   ATOM 382 CG C ASP A 11 ? 3.11782 19.11872 -0.17862 0.426 6.81678 C ? A ? 12 CG 1
   ATOM 383 OD1 C ASP A 11 ? 1.99967 19.23872 0.35722 0.426 6.29761 O ? A ? 12 OD1 1
   ATOM 384 OD2 C ASP A 11 ? 3.49405 18.07029 -0.78876 0.426 6.67442 O ? A ? 12 OD2 1
   ATOM 385 H C ASP A 11 ? 3.56862 20.65020 2.26216 0.426 6.52877 H ? A ? 12 H 1
   ATOM 386 HA C ASP A 11 ? 4.29409 22.22229 0.25371 0.426 7.10658 H ? A ? 12 HA 1
   ATOM 387 HB2 C ASP A 11 ? 4.31794 20.48391 -1.11223 0.426 7.39851 H ? A ? 12 HB2 1
   ATOM 388 HB3 C ASP A 11 ? 4.92340 19.96739 0.26328 0.426 7.39851 H ? A ? 12 HB3 1
   ATOM 389 N A GLY A 12 ? 1.25525 22.15072 0.82226 0.311 6.65907 N ? A ? 13 N 1
   ATOM 390 CA A GLY A 12 ? -0.03375 22.62959 0.38940 0.311 8.15496 C ? A ? 13 CA 1
   ATOM 391 C A GLY A 12 ? -0.72939 21.70962 -0.57423 0.311 7.67688 C ? A ? 13 C 1
   ATOM 392 O A GLY A 12 ? -1.66491 22.14815 -1.26147 0.311 8.13676 O ? A ? 13 O 1
   ATOM 393 H A GLY A 12 ? 1.27423 21.87700 1.63731 0.311 7.99088 H ? A ? 13 H 1
   ATOM 394 HA2 A GLY A 12 ? -0.60545 22.74012 1.16518 0.311 9.78595 H ? A ? 13 HA2 1
   ATOM 395 HA3 A GLY A 12 ? 0.07929 23.48964 -0.04470 0.311 9.78595 H ? A ? 13 HA3 1
   ATOM 396 N B GLY A 12 ? 1.23367 22.15982 0.85308 0.263 6.66379 N ? A ? 13 N 1
   ATOM 397 CA B GLY A 12 ? -0.05926 22.62580 0.40612 0.263 8.15562 C ? A ? 13 CA 1
   ATOM 398 C B GLY A 12 ? -0.73912 21.70693 -0.57295 0.263 7.73802 C ? A ? 13 C 1
   ATOM 399 O B GLY A 12 ? -1.67128 22.13677 -1.26755 0.263 8.27841 O ? A ? 13 O 1
   ATOM 400 H B GLY A 12 ? 1.28584 22.00663 1.69771 0.263 7.99654 H ? A ? 13 H 1
   ATOM 401 HA2 B GLY A 12 ? -0.64051 22.72473 1.17635 0.263 9.78675 H ? A ? 13 HA2 1
   ATOM 402 HA3 B GLY A 12 ? 0.04915 23.49003 -0.02079 0.263 9.78675 H ? A ? 13 HA3 1
   ATOM 403 N C GLY A 12 ? 1.26000 22.16297 0.79433 0.426 6.62564 N ? A ? 13 N 1
   ATOM 404 CA C GLY A 12 ? -0.03387 22.63310 0.33681 0.426 8.14537 C ? A ? 13 CA 1
   ATOM 405 C C GLY A 12 ? -0.81599 21.64495 -0.49101 0.426 7.80130 C ? A ? 13 C 1
   ATOM 406 O C GLY A 12 ? -1.89778 21.98013 -0.99751 0.426 8.94214 O ? A ? 13 O 1
   ATOM 407 H C GLY A 12 ? 1.28217 21.95627 1.62882 0.426 7.95076 H ? A ? 13 H 1
   ATOM 408 HA2 C GLY A 12 ? -0.57218 22.86082 1.11092 0.426 9.77444 H ? A ? 13 HA2 1
   ATOM 409 HA3 C GLY A 12 ? 0.09835 23.42932 -0.20119 0.426 9.77444 H ? A ? 13 HA3 1
   ATOM 410 N . ARG A 13 ? -0.31631 20.43371 -0.62908 1.000 7.58098 N ? A ? 14 N 1
   ATOM 411 CA . ARG A 13 ? -0.85083 19.50925 -1.60716 1.000 8.72461 C ? A ? 14 CA 1
   ATOM 412 C . ARG A 13 ? -1.04090 18.08000 -1.11636 1.000 8.65522 C ? A ? 14 C 1
   ATOM 413 O . ARG A 13 ? -2.04191 17.44263 -1.47739 1.000 10.97189 O ? A ? 14 O 1
   ATOM 414 CB . ARG A 13 ? 0.10380 19.49058 -2.84107 1.000 10.81341 C ? A ? 14 CB 1
   ATOM 415 CG . ARG A 13 ? -0.14346 18.42780 -3.87981 1.000 20.12559 C ? A ? 14 CG 1
   ATOM 416 CD . ARG A 13 ? 0.78743 18.65599 -5.06792 1.000 25.18793 C ? A ? 14 CD 1
   ATOM 417 NE . ARG A 13 ? 0.62605 17.61449 -6.06946 1.000 30.73495 N ? A ? 14 NE 1
   ATOM 418 CZ . ARG A 13 ? 1.17113 16.41143 -5.98107 1.000 37.52199 C ? A ? 14 CZ 1
   ATOM 419 NH1 . ARG A 13 ? 1.95430 16.08180 -4.96974 1.000 40.95397 N ? A ? 14 NH1 1
   ATOM 420 NH2 . ARG A 13 ? 0.94095 15.52455 -6.94172 1.000 39.62644 N ? A ? 14 NH2 1
   ATOM 421 HA . ARG A 13 ? -1.73996 19.82461 -1.83275 1.000 10.46953 H ? A ? 14 HA 1
   ATOM 422 HB2 . ARG A 13 ? 0.02925 20.34712 -3.29016 1.000 12.97609 H ? A ? 14 HB2 1
   ATOM 423 HB3 . ARG A 13 ? 1.00923 19.36354 -2.51710 1.000 12.97609 H ? A ? 14 HB3 1
   ATOM 424 HG2 . ARG A 13 ? 0.03605 17.55172 -3.50410 1.000 24.15071 H ? A ? 14 HG2 1
   ATOM 425 HG3 . ARG A 13 ? -1.06223 18.47500 -4.18729 1.000 24.15071 H ? A ? 14 HG3 1
   ATOM 426 HD2 . ARG A 13 ? 0.58228 19.51046 -5.47864 1.000 30.22551 H ? A ? 14 HD2 1
   ATOM 427 HD3 . ARG A 13 ? 1.70801 18.64725 -4.76239 1.000 30.22551 H ? A ? 14 HD3 1
   ATOM 428 HE . ARG A 13 ? 0.14715 17.79082 -6.76168 1.000 36.88194 H ? A ? 14 HE 1
   ATOM 429 HH11 . ARG A 13 ? 2.11996 16.65435 -4.34978 1.000 49.14476 H ? A ? 14 HH11 1
   ATOM 430 HH12 . ARG A 13 ? 2.29853 15.29464 -4.93124 1.000 49.14476 H ? A ? 14 HH12 1
   ATOM 431 HH21 . ARG A 13 ? 0.44307 15.73474 -7.61070 1.000 47.55172 H ? A ? 14 HH21 1
   ATOM 432 HH22 . ARG A 13 ? 1.28972 14.73983 -6.89506 1.000 47.55172 H ? A ? 14 HH22 1
   ATOM 433 H A ARG A 13 ? 0.27326 20.09065 -0.10533 0.311 9.09718 H ? A ? 14 H 1
   ATOM 434 H B ARG A 13 ? 0.27763 20.09384 -0.10820 0.263 9.09718 H ? A ? 14 H 1
   ATOM 435 H C ARG A 13 ? 0.33684 20.12039 -0.16559 0.426 9.09718 H ? A ? 14 H 1
   ATOM 436 N B THR A 14 ? -0.13109 17.58745 -0.26378 0.661 8.06930 N ? A ? 15 N 1
   ATOM 437 CA B THR A 14 ? -0.07804 16.17416 0.12062 0.661 7.82209 C ? A ? 15 CA 1
   ATOM 438 C B THR A 14 ? -0.50592 16.01604 1.57520 0.661 7.07004 C ? A ? 15 C 1
   ATOM 439 O B THR A 14 ? 0.27638 16.26974 2.49126 0.661 7.26992 O ? A ? 15 O 1
   ATOM 440 CB B THR A 14 ? 1.34578 15.64174 -0.05291 0.661 8.73932 C ? A ? 15 CB 1
   ATOM 441 OG1 B THR A 14 ? 1.89949 16.02592 -1.31724 0.661 11.17035 O ? A ? 15 OG1 1
   ATOM 442 CG2 B THR A 14 ? 1.37196 14.13834 0.07497 0.661 11.20721 C ? A ? 15 CG2 1
   ATOM 443 H B THR A 14 ? 0.47752 18.06541 0.11137 0.661 9.68316 H ? A ? 15 H 1
   ATOM 444 HA B THR A 14 ? -0.70457 15.68598 -0.43618 0.661 9.38651 H ? A ? 15 HA 1
   ATOM 445 HB B THR A 14 ? 1.89908 16.02423 0.64599 0.661 10.48719 H ? A ? 15 HB 1
   ATOM 446 HG1 B THR A 14 ? 1.67386 16.81361 -1.50227 0.661 13.40442 H ? A ? 15 HG1 1
   ATOM 447 HG21 B THR A 14 ? 2.27630 13.81046 -0.04977 0.661 13.44865 H ? A ? 15 HG21 1
   ATOM 448 HG22 B THR A 14 ? 1.06011 13.87474 0.95484 0.661 13.44865 H ? A ? 15 HG22 1
   ATOM 449 HG23 B THR A 14 ? 0.79673 13.73825 -0.59581 0.661 13.44865 H ? A ? 15 HG23 1
   ATOM 450 N D THR A 14 ? -0.11934 17.58208 -0.31279 0.339 8.08061 N ? A ? 15 N 1
   ATOM 451 CA D THR A 14 ? -0.10008 16.18405 0.08988 0.339 7.95577 C ? A ? 15 CA 1
   ATOM 452 C D THR A 14 ? -0.54802 16.13038 1.54299 0.339 7.17982 C ? A ? 15 C 1
   ATOM 453 O D THR A 14 ? 0.17142 16.59309 2.42578 0.339 6.13722 O ? A ? 15 O 1
   ATOM 454 CB D THR A 14 ? 1.31210 15.62283 -0.06060 0.339 8.82378 C ? A ? 15 CB 1
   ATOM 455 OG1 D THR A 14 ? 1.89633 16.04082 -1.30015 0.339 11.04836 O ? A ? 15 OG1 1
   ATOM 456 CG2 D THR A 14 ? 1.28440 14.11591 -0.00951 0.339 10.69823 C ? A ? 15 CG2 1
   ATOM 457 H D THR A 14 ? 0.52331 18.04505 0.02228 0.339 9.69674 H ? A ? 15 H 1
   ATOM 458 HA D THR A 14 ? -0.70960 15.65978 -0.45282 0.339 9.54692 H ? A ? 15 HA 1
   ATOM 459 HB D THR A 14 ? 1.85919 15.95494 0.66830 0.339 10.58854 H ? A ? 15 HB 1
   ATOM 460 HG1 D THR A 14 ? 2.67755 15.73917 -1.36572 0.339 13.25804 H ? A ? 15 HG1 1
   ATOM 461 HG21 D THR A 14 ? 2.18404 13.76434 -0.09864 0.339 12.83787 H ? A ? 15 HG21 1
   ATOM 462 HG22 D THR A 14 ? 0.91288 13.81940 0.83604 0.339 12.83787 H ? A ? 15 HG22 1
   ATOM 463 HG23 D THR A 14 ? 0.73799 13.76944 -0.73222 0.339 12.83787 H ? A ? 15 HG23 1
   ATOM 464 N B PHE A 15 ? -1.72589 15.56344 1.78539 0.661 7.32210 N ? A ? 16 N 1
   ATOM 465 CA B PHE A 15 ? -2.32616 15.41534 3.09156 0.661 7.62584 C ? A ? 16 CA 1
   ATOM 466 C B PHE A 15 ? -2.49234 13.92878 3.41064 0.661 7.73368 C ? A ? 16 C 1
   ATOM 467 O B PHE A 15 ? -2.68138 13.10069 2.49698 0.661 9.51429 O ? A ? 16 O 1
   ATOM 468 CB B PHE A 15 ? -3.68263 16.13934 3.13530 0.661 8.82352 C ? A ? 16 CB 1
   ATOM 469 CG B PHE A 15 ? -3.57822 17.65026 3.01266 0.661 8.11276 C ? A ? 16 CG 1
   ATOM 470 CD1 B PHE A 15 ? -3.45522 18.27090 1.76840 0.661 9.05943 C ? A ? 16 CD1 1
   ATOM 471 CD2 B PHE A 15 ? -3.58320 18.45068 4.13155 0.661 8.87918 C ? A ? 16 CD2 1
   ATOM 472 CE1 B PHE A 15 ? -3.34154 19.65031 1.67739 0.661 9.29042 C ? A ? 16 CE1 1
   ATOM 473 CE2 B PHE A 15 ? -3.48739 19.82275 4.02369 0.661 8.42801 C ? A ? 16 CE2 1
   ATOM 474 CZ B PHE A 15 ? -3.36433 20.42044 2.78571 0.661 9.62683 C ? A ? 16 CZ 1
   ATOM 475 H B PHE A 15 ? -2.25477 15.32226 1.15158 0.661 8.78652 H ? A ? 16 H 1
   ATOM 476 HA B PHE A 15 ? -1.76956 15.80561 3.78350 0.661 9.15100 H ? A ? 16 HA 1
   ATOM 477 HB2 B PHE A 15 ? -4.22960 15.82037 2.40047 0.661 10.58822 H ? A ? 16 HB2 1
   ATOM 478 HB3 B PHE A 15 ? -4.11443 15.94069 3.98087 0.661 10.58822 H ? A ? 16 HB3 1
   ATOM 479 HD1 B PHE A 15 ? -3.44945 17.75547 0.99432 0.661 10.87131 H ? A ? 16 HD1 1
   ATOM 480 HD2 B PHE A 15 ? -3.65219 18.06107 4.97318 0.661 10.65502 H ? A ? 16 HD2 1
   ATOM 481 HE1 B PHE A 15 ? -3.24847 20.04943 0.84256 0.661 11.14851 H ? A ? 16 HE1 1
   ATOM 482 HE2 B PHE A 15 ? -3.50586 20.34861 4.79052 0.661 10.11362 H ? A ? 16 HE2 1
   ATOM 483 HZ B PHE A 15 ? -3.29772 21.34542 2.71579 0.661 11.55220 H ? A ? 16 HZ 1
   ATOM 484 N D PHE A 15 ? -1.74246 15.57628 1.78941 0.339 7.39978 N ? A ? 16 N 1
   ATOM 485 CA D PHE A 15 ? -2.30313 15.41391 3.11920 0.339 7.75514 C ? A ? 16 CA 1
   ATOM 486 C D PHE A 15 ? -2.49883 13.93119 3.40786 0.339 7.73307 C ? A ? 16 C 1
   ATOM 487 O D PHE A 15 ? -2.92361 13.18649 2.51002 0.339 8.88505 O ? A ? 16 O 1
   ATOM 488 CB D PHE A 15 ? -3.66393 16.11647 3.20059 0.339 8.95106 C ? A ? 16 CB 1
   ATOM 489 CG D PHE A 15 ? -3.58512 17.60850 3.05696 0.339 8.15787 C ? A ? 16 CG 1
   ATOM 490 CD1 D PHE A 15 ? -3.53002 18.20145 1.80623 0.339 8.92892 C ? A ? 16 CD1 1
   ATOM 491 CD2 D PHE A 15 ? -3.54569 18.41995 4.17369 0.339 8.81696 C ? A ? 16 CD2 1
   ATOM 492 CE1 D PHE A 15 ? -3.43968 19.57548 1.68664 0.339 9.21764 C ? A ? 16 CE1 1
   ATOM 493 CE2 D PHE A 15 ? -3.46560 19.79185 4.05279 0.339 8.51907 C ? A ? 16 CE2 1
   ATOM 494 CZ D PHE A 15 ? -3.41025 20.36982 2.80296 0.339 9.60967 C ? A ? 16 CZ 1
   ATOM 495 H D PHE A 15 ? -2.26163 15.27717 1.17249 0.339 8.87974 H ? A ? 16 H 1
   ATOM 496 HA D PHE A 15 ? -1.71360 15.79426 3.78904 0.339 9.30616 H ? A ? 16 HA 1
   ATOM 497 HB2 D PHE A 15 ? -4.23127 15.78035 2.48922 0.339 10.74127 H ? A ? 16 HB2 1
   ATOM 498 HB3 D PHE A 15 ? -4.06349 15.92300 4.06304 0.339 10.74127 H ? A ? 16 HB3 1
   ATOM 499 HD1 D PHE A 15 ? -3.55397 17.67170 1.04224 0.339 10.71470 H ? A ? 16 HD1 1
   ATOM 500 HD2 D PHE A 15 ? -3.57355 18.03571 5.02014 0.339 10.58035 H ? A ? 16 HD2 1
   ATOM 501 HE1 D PHE A 15 ? -3.39858 19.96372 0.84255 0.339 11.06117 H ? A ? 16 HE1 1
   ATOM 502 HE2 D PHE A 15 ? -3.44898 20.32607 4.81386 0.339 10.22289 H ? A ? 16 HE2 1
   ATOM 503 HZ D PHE A 15 ? -3.35322 21.29413 2.71755 0.339 11.53160 H ? A ? 16 HZ 1
   ATOM 504 N B PRO A 16 ? -2.40790 13.54876 4.68336 0.661 6.93863 N ? A ? 17 N 1
   ATOM 505 CA B PRO A 16 ? -2.45038 12.12562 5.03396 0.661 8.22470 C ? A ? 17 CA 1
   ATOM 506 C B PRO A 16 ? -3.75516 11.45806 4.64800 0.661 8.48480 C ? A ? 17 C 1
   ATOM 507 O B PRO A 16 ? -4.83614 12.01565 4.83066 0.661 11.27534 O ? A ? 17 O 1
   ATOM 508 CB B PRO A 16 ? -2.29688 12.13597 6.56762 0.661 9.36704 C ? A ? 17 CB 1
   ATOM 509 CG B PRO A 16 ? -1.61192 13.34146 6.84554 0.661 8.74028 C ? A ? 17 CG 1
   ATOM 510 CD B PRO A 16 ? -2.01140 14.37436 5.82014 0.661 7.92417 C ? A ? 17 CD 1
   ATOM 511 HA B PRO A 16 ? -1.71107 11.66809 4.60386 0.661 9.86964 H ? A ? 17 HA 1
   ATOM 512 HB2 B PRO A 16 ? -3.17044 12.12560 6.98916 0.661 11.24045 H ? A ? 17 HB2 1
   ATOM 513 HB3 B PRO A 16 ? -1.78060 11.36678 6.85517 0.661 11.24045 H ? A ? 17 HB3 1
   ATOM 514 HG2 B PRO A 16 ? -1.85455 13.64404 7.73463 0.661 10.48834 H ? A ? 17 HG2 1
   ATOM 515 HG3 B PRO A 16 ? -0.65672 13.17901 6.79954 0.661 10.48834 H ? A ? 17 HG3 1
   ATOM 516 HD2 B PRO A 16 ? -2.75434 14.91142 6.13716 0.661 9.50900 H ? A ? 17 HD2 1
   ATOM 517 HD3 B PRO A 16 ? -1.26231 14.94652 5.59124 0.661 9.50900 H ? A ? 17 HD3 1
   ATOM 518 N D PRO A 16 ? -2.23219 13.46296 4.63076 0.339 7.18509 N ? A ? 17 N 1
   ATOM 519 CA D PRO A 16 ? -2.24513 12.01247 4.87298 0.339 8.71548 C ? A ? 17 CA 1
   ATOM 520 C D PRO A 16 ? -3.61271 11.37988 4.69084 0.339 9.20610 C ? A ? 17 C 1
   ATOM 521 O D PRO A 16 ? -4.63878 11.92852 5.10057 0.339 9.57339 O ? A ? 17 O 1
   ATOM 522 CB D PRO A 16 ? -1.78717 11.87643 6.32889 0.339 10.16203 C ? A ? 17 CB 1
   ATOM 523 CG D PRO A 16 ? -1.17351 13.18030 6.68561 0.339 9.90581 C ? A ? 17 CG 1
   ATOM 524 CD D PRO A 16 ? -1.79622 14.22354 5.80690 0.339 6.95204 C ? A ? 17 CD 1
   ATOM 525 HA D PRO A 16 ? -1.61379 11.59088 4.26920 0.339 10.45858 H ? A ? 17 HA 1
   ATOM 526 HB2 D PRO A 16 ? -2.55195 11.68981 6.89563 0.339 12.19444 H ? A ? 17 HB2 1
   ATOM 527 HB3 D PRO A 16 ? -1.13781 11.15950 6.40126 0.339 12.19444 H ? A ? 17 HB3 1
   ATOM 528 HG2 D PRO A 16 ? -1.35202 13.37433 7.61909 0.339 11.88697 H ? A ? 17 HG2 1
   ATOM 529 HG3 D PRO A 16 ? -0.21659 13.13712 6.53284 0.339 11.88697 H ? A ? 17 HG3 1
   ATOM 530 HD2 D PRO A 16 ? -2.55324 14.63909 6.24864 0.339 8.34245 H ? A ? 17 HD2 1
   ATOM 531 HD3 D PRO A 16 ? -1.14527 14.89857 5.55893 0.339 8.34245 H ? A ? 17 HD3 1
   ATOM 532 N B LYS A 17 ? -3.63116 10.21888 4.18093 0.661 10.23236 N ? A ? 18 N 1
   ATOM 533 CA B LYS A 17 ? -4.75092 9.35755 3.84562 0.661 11.49703 C ? A ? 18 CA 1
   ATOM 534 C B LYS A 17 ? -4.60016 8.01619 4.54297 0.661 10.28224 C ? A ? 18 C 1
   ATOM 535 O B LYS A 17 ? -3.50760 7.58616 4.91384 0.661 10.49495 O ? A ? 18 O 1
   ATOM 536 CB B LYS A 17 ? -4.86401 9.16786 2.31992 0.661 16.26106 C ? A ? 18 CB 1
   ATOM 537 CG B LYS A 17 ? -5.14747 10.49988 1.61035 0.661 17.85337 C ? A ? 18 CG 1
   ATOM 538 CD B LYS A 17 ? -5.42292 10.35889 0.12933 0.661 27.58538 C ? A ? 18 CD 1
   ATOM 539 CE B LYS A 17 ? -5.71162 11.71323 -0.51790 0.661 28.96448 C ? A ? 18 CE 1
   ATOM 540 NZ B LYS A 17 ? -6.72385 12.53715 0.21743 0.661 28.39737 N ? A ? 18 NZ 1
   ATOM 541 H B LYS A 17 ? -2.87101 9.84044 4.04467 0.661 12.27883 H ? A ? 18 H 1
   ATOM 542 HA B LYS A 17 ? -5.57615 9.75533 4.16449 0.661 13.79643 H ? A ? 18 HA 1
   ATOM 543 HB2 B LYS A 17 ? -4.02963 8.81024 1.97814 0.661 19.51327 H ? A ? 18 HB2 1
   ATOM 544 HB3 B LYS A 17 ? -5.59144 8.55636 2.12547 0.661 19.51327 H ? A ? 18 HB3 1
   ATOM 545 HG2 B LYS A 17 ? -5.92638 10.91064 2.01714 0.661 21.42405 H ? A ? 18 HG2 1
   ATOM 546 HG3 B LYS A 17 ? -4.37571 11.07849 1.71276 0.661 21.42405 H ? A ? 18 HG3 1
   ATOM 547 HD2 B LYS A 17 ? -4.64748 9.97186 -0.30633 0.661 33.10245 H ? A ? 18 HD2 1
   ATOM 548 HD3 B LYS A 17 ? -6.19609 9.78777 -0.00079 0.661 33.10245 H ? A ? 18 HD3 1
   ATOM 549 HE2 B LYS A 17 ? -4.88726 12.22316 -0.55409 0.661 34.75738 H ? A ? 18 HE2 1
   ATOM 550 HE3 B LYS A 17 ? -6.04911 11.56408 -1.41498 0.661 34.75738 H ? A ? 18 HE3 1
   ATOM 551 HZ1 B LYS A 17 ? -6.93489 13.25776 -0.26037 0.661 34.07685 H ? A ? 18 HZ1 1
   ATOM 552 HZ2 B LYS A 17 ? -7.46076 12.05867 0.35929 0.661 34.07685 H ? A ? 18 HZ2 1
   ATOM 553 HZ3 B LYS A 17 ? -6.39295 12.79728 1.00161 0.661 34.07685 H ? A ? 18 HZ3 1
   ATOM 554 N D LYS A 17 ? -3.59403 10.17627 4.13557 0.339 10.38433 N ? A ? 18 N 1
   ATOM 555 CA D LYS A 17 ? -4.77629 9.37073 3.90421 0.339 12.33305 C ? A ? 18 CA 1
   ATOM 556 C D LYS A 17 ? -4.61338 8.02762 4.59887 0.339 10.86888 C ? A ? 18 C 1
   ATOM 557 O D LYS A 17 ? -3.50647 7.60520 4.94329 0.339 10.68242 O ? A ? 18 O 1
   ATOM 558 CB D LYS A 17 ? -4.97509 9.15014 2.40037 0.339 16.76280 C ? A ? 18 CB 1
   ATOM 559 CG D LYS A 17 ? -5.13584 10.44463 1.59901 0.339 18.09762 C ? A ? 18 CG 1
   ATOM 560 CD D LYS A 17 ? -5.15230 10.17437 0.09939 0.339 24.75671 C ? A ? 18 CD 1
   ATOM 561 CE D LYS A 17 ? -5.38714 11.44446 -0.70731 0.339 25.84438 C ? A ? 18 CE 1
   ATOM 562 NZ D LYS A 17 ? -5.41717 11.17533 -2.17493 0.339 25.58618 N ? A ? 18 NZ 1
   ATOM 563 H D LYS A 17 ? -2.87235 9.78919 3.87298 0.339 12.46120 H ? A ? 18 H 1
   ATOM 564 HA D LYS A 17 ? -5.56159 9.81004 4.26644 0.339 14.79966 H ? A ? 18 HA 1
   ATOM 565 HB2 D LYS A 17 ? -4.20245 8.67982 2.05005 0.339 20.11536 H ? A ? 18 HB2 1
   ATOM 566 HB3 D LYS A 17 ? -5.77554 8.61875 2.26697 0.339 20.11536 H ? A ? 18 HB3 1
   ATOM 567 HG2 D LYS A 17 ? -5.97291 10.87068 1.84125 0.339 21.71714 H ? A ? 18 HG2 1
   ATOM 568 HG3 D LYS A 17 ? -4.39325 11.03750 1.79384 0.339 21.71714 H ? A ? 18 HG3 1
   ATOM 569 HD2 D LYS A 17 ? -4.29791 9.80029 -0.16703 0.339 29.70805 H ? A ? 18 HD2 1
   ATOM 570 HD3 D LYS A 17 ? -5.86599 9.54995 -0.10469 0.339 29.70805 H ? A ? 18 HD3 1
   ATOM 571 HE2 D LYS A 17 ? -6.23922 11.83171 -0.45259 0.339 31.01326 H ? A ? 18 HE2 1
   ATOM 572 HE3 D LYS A 17 ? -4.67039 12.07326 -0.52899 0.339 31.01326 H ? A ? 18 HE3 1
   ATOM 573 HZ1 D LYS A 17 ? -5.54329 11.93497 -2.62119 0.339 30.70342 H ? A ? 18 HZ1 1
   ATOM 574 HZ2 D LYS A 17 ? -4.64666 10.81281 -2.43375 0.339 30.70342 H ? A ? 18 HZ2 1
   ATOM 575 HZ3 D LYS A 17 ? -6.07994 10.61354 -2.36788 0.339 30.70342 H ? A ? 18 HZ3 1
   ATOM 576 N B ARG A 18 ? -5.74395 7.34575 4.72663 0.661 12.56553 N ? A ? 19 N 1
   ATOM 577 CA B ARG A 18 ? -5.71328 5.96587 5.20733 0.661 11.91623 C ? A ? 19 CA 1
   ATOM 578 C B ARG A 18 ? -4.79538 5.13100 4.33158 0.661 11.13959 C ? A ? 19 C 1
   ATOM 579 O B ARG A 18 ? -4.73012 5.31723 3.11444 0.661 12.04517 O ? A ? 19 O 1
   ATOM 580 CB B ARG A 18 ? -7.11198 5.35795 5.17826 0.661 18.02371 C ? A ? 19 CB 1
   ATOM 581 CG B ARG A 18 ? -8.12868 6.03739 6.05726 0.661 24.50211 C ? A ? 19 CG 1
   ATOM 582 CD B ARG A 18 ? -8.74430 5.04731 7.03840 0.661 29.60264 C ? A ? 19 CD 1
   ATOM 583 NE B ARG A 18 ? -9.96954 5.57145 7.62661 0.661 34.52725 N ? A ? 19 NE 1
   ATOM 584 CZ B ARG A 18 ? -10.02324 6.63003 8.42227 0.661 32.91382 C ? A ? 19 CZ 1
   ATOM 585 NH1 B ARG A 18 ? -8.93740 7.32392 8.72550 0.661 32.02134 N ? A ? 19 NH1 1
   ATOM 586 NH2 B ARG A 18 ? -11.19647 7.00484 8.92189 0.661 34.53000 N ? A ? 19 NH2 1
   ATOM 587 H B ARG A 18 ? -6.53057 7.66222 4.58282 0.661 15.07863 H ? A ? 19 H 1
   ATOM 588 HA B ARG A 18 ? -5.39055 5.95637 6.12202 0.661 14.29948 H ? A ? 19 HA 1
   ATOM 589 HB2 B ARG A 18 ? -7.44381 5.39816 4.26767 0.661 21.62845 H ? A ? 19 HB2 1
   ATOM 590 HB3 B ARG A 18 ? -7.04989 4.43440 5.46826 0.661 21.62845 H ? A ? 19 HB3 1
   ATOM 591 HG2 B ARG A 18 ? -7.69861 6.74466 6.56293 0.661 29.40253 H ? A ? 19 HG2 1
   ATOM 592 HG3 B ARG A 18 ? -8.83729 6.40652 5.50724 0.661 29.40253 H ? A ? 19 HG3 1
   ATOM 593 HD2 B ARG A 18 ? -8.95750 4.22373 6.57239 0.661 35.52316 H ? A ? 19 HD2 1
   ATOM 594 HD3 B ARG A 18 ? -8.11382 4.86999 7.75390 0.661 35.52316 H ? A ? 19 HD3 1
   ATOM 595 HE B ARG A 18 ? -10.70676 5.16729 7.44564 0.661 41.43269 H ? A ? 19 HE 1
   ATOM 596 HH11 B ARG A 18 ? -8.17450 7.09091 8.40410 0.661 38.42561 H ? A ? 19 HH11 1
   ATOM 597 HH12 B ARG A 18 ? -8.99489 8.00771 9.24389 0.661 38.42561 H ? A ? 19 HH12 1
   ATOM 598 HH21 B ARG A 18 ? -11.90774 6.56215 8.72766 0.661 41.43600 H ? A ? 19 HH21 1
   ATOM 599 HH22 B ARG A 18 ? -11.24434 7.69005 9.43938 0.661 41.43600 H ? A ? 19 HH22 1
   ATOM 600 N D ARG A 18 ? -5.74284 7.35086 4.80504 0.339 13.63508 N ? A ? 19 N 1
   ATOM 601 CA D ARG A 18 ? -5.68385 5.98968 5.32061 0.339 12.55981 C ? A ? 19 CA 1
   ATOM 602 C D ARG A 18 ? -4.85707 5.12532 4.38155 0.339 11.26320 C ? A ? 19 C 1
   ATOM 603 O D ARG A 18 ? -4.89481 5.29151 3.15768 0.339 13.00266 O ? A ? 19 O 1
   ATOM 604 CB D ARG A 18 ? -7.08418 5.40420 5.45764 0.339 18.06104 C ? A ? 19 CB 1
   ATOM 605 CG D ARG A 18 ? -7.88411 5.94107 6.62732 0.339 21.71391 C ? A ? 19 CG 1
   ATOM 606 CD D ARG A 18 ? -9.09587 5.05271 6.88416 0.339 28.08093 C ? A ? 19 CD 1
   ATOM 607 NE D ARG A 18 ? -9.98949 5.60917 7.89313 0.339 32.01327 N ? A ? 19 NE 1
   ATOM 608 CZ D ARG A 18 ? -10.99191 4.94772 8.45538 0.339 31.09017 C ? A ? 19 CZ 1
   ATOM 609 NH1 D ARG A 18 ? -11.24192 3.68343 8.15536 0.339 32.15040 N ? A ? 19 NH1 1
   ATOM 610 NH2 D ARG A 18 ? -11.76095 5.56994 9.34300 0.339 34.09620 N ? A ? 19 NH2 1
   ATOM 611 H D ARG A 18 ? -6.53498 7.65142 4.65746 0.339 16.36209 H ? A ? 19 H 1
   ATOM 612 HA D ARG A 18 ? -5.27537 5.99366 6.20040 0.339 15.07177 H ? A ? 19 HA 1
   ATOM 613 HB2 D ARG A 18 ? -7.58130 5.60210 4.64857 0.339 21.67324 H ? A ? 19 HB2 1
   ATOM 614 HB3 D ARG A 18 ? -7.00672 4.44420 5.57298 0.339 21.67324 H ? A ? 19 HB3 1
   ATOM 615 HG2 D ARG A 18 ? -7.33124 5.95069 7.42428 0.339 26.05670 H ? A ? 19 HG2 1
   ATOM 616 HG3 D ARG A 18 ? -8.19337 6.83841 6.42723 0.339 26.05670 H ? A ? 19 HG3 1
   ATOM 617 HD2 D ARG A 18 ? -9.59719 4.95326 6.05973 0.339 33.69712 H ? A ? 19 HD2 1
   ATOM 618 HD3 D ARG A 18 ? -8.79341 4.18515 7.19523 0.339 33.69712 H ? A ? 19 HD3 1
   ATOM 619 HE D ARG A 18 ? -9.85736 6.42214 8.14056 0.339 38.41593 H ? A ? 19 HE 1
   ATOM 620 HH11 D ARG A 18 ? -10.74890 3.27157 7.58362 0.339 38.58048 H ? A ? 19 HH11 1
   ATOM 621 HH12 D ARG A 18 ? -11.89743 3.27360 8.53213 0.339 38.58048 H ? A ? 19 HH12 1
   ATOM 622 HH21 D ARG A 18 ? -11.60545 6.39105 9.54598 0.339 40.91544 H ? A ? 19 HH21 1
   ATOM 623 HH22 D ARG A 18 ? -12.41406 5.15145 9.71436 0.339 40.91544 H ? A ? 19 HH22 1
   ATOM 624 N B GLY A 19 ? -4.11573 4.18985 4.95692 0.661 10.90008 N ? A ? 20 N 1
   ATOM 625 CA B GLY A 19 ? -3.18677 3.31976 4.26971 0.661 13.23317 C ? A ? 20 CA 1
   ATOM 626 C B GLY A 19 ? -1.78281 3.84608 4.17827 0.661 10.79332 C ? A ? 20 C 1
   ATOM 627 O B GLY A 19 ? -0.87599 3.09793 3.78780 0.661 15.97672 O ? A ? 20 O 1
   ATOM 628 H B GLY A 19 ? -4.17719 4.03206 5.80009 0.661 13.08010 H ? A ? 20 H 1
   ATOM 629 HA2 B GLY A 19 ? -3.15473 2.46928 4.73508 0.661 15.87981 H ? A ? 20 HA2 1
   ATOM 630 HA3 B GLY A 19 ? -3.50786 3.17344 3.36617 0.661 15.87981 H ? A ? 20 HA3 1
   ATOM 631 N D GLY A 19 ? -4.11516 4.19438 4.96620 0.339 11.16932 N ? A ? 20 N 1
   ATOM 632 CA D GLY A 19 ? -3.21002 3.34279 4.22992 0.339 13.35860 C ? A ? 20 CA 1
   ATOM 633 C D GLY A 19 ? -1.80258 3.87129 4.11216 0.339 11.49907 C ? A ? 20 C 1
   ATOM 634 O D GLY A 19 ? -0.92420 3.14791 3.62302 0.339 16.54900 O ? A ? 20 O 1
   ATOM 635 H D GLY A 19 ? -4.12247 4.03669 5.81159 0.339 13.40318 H ? A ? 20 H 1
   ATOM 636 HA2 D GLY A 19 ? -3.16675 2.47983 4.67075 0.339 16.03033 H ? A ? 20 HA2 1
   ATOM 637 HA3 D GLY A 19 ? -3.55736 3.22183 3.33236 0.339 16.03033 H ? A ? 20 HA3 1
   ATOM 638 N . GLN A 20 ? -1.55661 5.10240 4.53826 1.000 11.65648 N ? A ? 21 N 1
   ATOM 639 CA . GLN A 20 ? -0.22850 5.70085 4.48136 1.000 12.28690 C ? A ? 21 CA 1
   ATOM 640 C . GLN A 20 ? 0.36660 5.69639 5.87972 1.000 10.20584 C ? A ? 21 C 1
   ATOM 641 O . GLN A 20 ? -0.36121 5.73581 6.87214 1.000 10.75405 O ? A ? 21 O 1
   ATOM 642 CB . GLN A 20 ? -0.32290 7.14694 3.97614 1.000 10.48418 C ? A ? 21 CB 1
   ATOM 643 CG . GLN A 20 ? -0.90827 7.23775 2.59917 1.000 12.88869 C ? A ? 21 CG 1
   ATOM 644 CD . GLN A 20 ? -0.72749 8.61148 2.03468 1.000 16.81467 C ? A ? 21 CD 1
   ATOM 645 OE1 . GLN A 20 ? -1.31211 9.57618 2.50599 1.000 18.48917 O ? A ? 21 OE1 1
   ATOM 646 NE2 . GLN A 20 ? 0.12744 8.71729 1.01203 1.000 23.38135 N ? A ? 21 NE2 1
   ATOM 647 HA . GLN A 20 ? 0.34776 5.20157 3.88174 1.000 14.74429 H ? A ? 21 HA 1
   ATOM 648 HB2 . GLN A 20 ? -0.88810 7.65614 4.57794 1.000 12.58102 H ? A ? 21 HB2 1
   ATOM 649 HB3 . GLN A 20 ? 0.56698 7.53216 3.95120 1.000 12.58102 H ? A ? 21 HB3 1
   ATOM 650 HG2 . GLN A 20 ? -0.46280 6.60370 2.01570 1.000 15.46643 H ? A ? 21 HG2 1
   ATOM 651 HG3 . GLN A 20 ? -1.85770 7.04283 2.63765 1.000 15.46643 H ? A ? 21 HG3 1
   ATOM 652 HE21 . GLN A 20 ? 0.53456 8.01918 0.71793 1.000 28.05761 H ? A ? 21 HE21 1
   ATOM 653 HE22 . GLN A 20 ? 0.27018 9.48345 0.64840 1.000 28.05761 H ? A ? 21 HE22 1
   ATOM 654 H B GLN A 20 ? -2.16607 5.63780 4.82377 0.661 13.98777 H ? A ? 21 H 1
   ATOM 655 H D GLN A 20 ? -2.15470 5.62270 4.87171 0.339 13.98777 H ? A ? 21 H 1
   ATOM 656 N . THR A 21 ? 1.68300 5.60187 5.95061 1.000 10.91804 N ? A ? 22 N 1
   ATOM 657 CA . THR A 21 ? 2.39253 5.74533 7.21820 1.000 10.84724 C ? A ? 22 CA 1
   ATOM 658 C . THR A 21 ? 2.88928 7.17888 7.33796 1.000 8.43975 C ? A ? 22 C 1
   ATOM 659 O . THR A 21 ? 3.65523 7.65175 6.48482 1.000 10.61893 O ? A ? 22 O 1
   ATOM 660 CB . THR A 21 ? 3.52692 4.73956 7.34244 1.000 14.05236 C ? A ? 22 CB 1
   ATOM 661 OG1 . THR A 21 ? 2.97479 3.42223 7.26896 1.000 18.86721 O ? A ? 22 OG1 1
   ATOM 662 CG2 . THR A 21 ? 4.23476 4.87437 8.68253 1.000 15.07980 C ? A ? 22 CG2 1
   ATOM 663 H . THR A 21 ? 2.19454 5.45399 5.27528 1.000 13.10165 H ? A ? 22 H 1
   ATOM 664 HA . THR A 21 ? 1.79017 5.57315 7.95876 1.000 13.01668 H ? A ? 22 HA 1
   ATOM 665 HB . THR A 21 ? 4.17150 4.89319 6.63405 1.000 16.86283 H ? A ? 22 HB 1
   ATOM 666 HG1 . THR A 21 ? 2.43343 3.30201 7.89989 1.000 22.64065 H ? A ? 22 HG1 1
   ATOM 667 HG21 . THR A 21 ? 4.85162 4.13631 8.80762 1.000 18.09576 H ? A ? 22 HG21 1
   ATOM 668 HG22 . THR A 21 ? 4.73039 5.70760 8.71360 1.000 18.09576 H ? A ? 22 HG22 1
   ATOM 669 HG23 . THR A 21 ? 3.58528 4.86737 9.40297 1.000 18.09576 H ? A ? 22 HG23 1
   ATOM 670 N A CYS A 22 ? 2.37942 7.88312 8.35223 0.647 7.94832 N ? A ? 23 N 1
   ATOM 671 CA A CYS A 22 ? 2.86788 9.20374 8.65825 0.647 7.35421 C ? A ? 23 CA 1
   ATOM 672 C A CYS A 22 ? 4.14496 9.07462 9.47344 0.647 6.20279 C ? A ? 23 C 1
   ATOM 673 O A CYS A 22 ? 4.21489 8.29079 10.43286 0.647 7.57672 O ? A ? 23 O 1
   ATOM 674 CB A CYS A 22 ? 1.84391 9.96863 9.50541 0.647 8.00907 C ? A ? 23 CB 1
   ATOM 675 SG A CYS A 22 ? 0.27243 10.41313 8.72965 0.647 9.67549 S ? A ? 23 SG 1
   ATOM 676 H A CYS A 22 ? 1.75077 7.60797 8.87058 0.647 9.53798 H ? A ? 23 H 1
   ATOM 677 HA A CYS A 22 ? 3.02991 9.69400 7.83709 0.647 8.82505 H ? A ? 23 HA 1
   ATOM 678 HB2 A CYS A 22 ? 1.62916 9.42060 10.27641 0.647 9.61089 H ? A ? 23 HB2 1
   ATOM 679 HB3 A CYS A 22 ? 2.25753 10.79771 9.79255 0.647 9.61089 H ? A ? 23 HB3 1
   ATOM 680 HG A CYS A 22 ? -0.39102 11.03005 9.51657 0.647 11.61058 H ? A ? 23 HG 1
   ATOM 681 N B CYS A 22 ? 2.52371 7.81330 8.43993 0.353 7.56499 N ? A ? 23 N 1
   ATOM 682 CA B CYS A 22 ? 2.87212 9.19879 8.69398 0.353 7.38797 C ? A ? 23 CA 1
   ATOM 683 C B CYS A 22 ? 4.08594 9.20747 9.61315 0.353 6.75203 C ? A ? 23 C 1
   ATOM 684 O B CYS A 22 ? 4.02637 8.67960 10.73450 0.353 6.26572 O ? A ? 23 O 1
   ATOM 685 CB B CYS A 22 ? 1.68824 9.89272 9.37226 0.353 8.16791 C ? A ? 23 CB 1
   ATOM 686 SG B CYS A 22 ? 0.10661 9.68872 8.51111 0.353 8.10638 S ? A ? 23 SG 1
   ATOM 687 H B CYS A 22 ? 2.06228 7.45286 9.06981 0.353 9.07798 H ? A ? 23 H 1
   ATOM 688 HA B CYS A 22 ? 3.09277 9.66667 7.87343 0.353 8.86556 H ? A ? 23 HA 1
   ATOM 689 HB2 B CYS A 22 ? 1.58563 9.52714 10.26485 0.353 9.80150 H ? A ? 23 HB2 1
   ATOM 690 HB3 B CYS A 22 ? 1.87450 10.84334 9.42249 0.353 9.80150 H ? A ? 23 HB3 1
   ATOM 691 HG B CYS A 22 ? -0.75358 10.24369 9.13727 0.353 9.72766 H ? A ? 23 HG 1
   ATOM 692 N A VAL A 23 ? 5.13329 9.88015 9.10445 0.647 6.44550 N ? A ? 24 N 1
   ATOM 693 CA A VAL A 23 ? 6.40795 9.90651 9.79246 0.647 6.36957 C ? A ? 24 CA 1
   ATOM 694 C A VAL A 23 ? 6.54418 11.33108 10.32504 0.647 6.06870 C ? A ? 24 C 1
   ATOM 695 O A VAL A 23 ? 6.45645 12.29501 9.54910 0.647 6.35080 O ? A ? 24 O 1
   ATOM 696 CB A VAL A 23 ? 7.56902 9.55191 8.86267 0.647 7.35050 C ? A ? 24 CB 1
   ATOM 697 CG1 A VAL A 23 ? 8.86890 9.57474 9.61336 0.647 8.01623 C ? A ? 24 CG1 1
   ATOM 698 CG2 A VAL A 23 ? 7.34425 8.16919 8.25537 0.647 8.69390 C ? A ? 24 CG2 1
   ATOM 699 H A VAL A 23 ? 5.08365 10.42969 8.44479 0.647 7.73459 H ? A ? 24 H 1
   ATOM 700 HA A VAL A 23 ? 6.42257 9.27141 10.52549 0.647 7.64348 H ? A ? 24 HA 1
   ATOM 701 HB A VAL A 23 ? 7.61477 10.20770 8.14942 0.647 8.82060 H ? A ? 24 HB 1
   ATOM 702 HG11 A VAL A 23 ? 9.56829 9.21637 9.04475 0.647 9.61948 H ? A ? 24 HG11 1
   ATOM 703 HG12 A VAL A 23 ? 9.07707 10.49038 9.85660 0.647 9.61948 H ? A ? 24 HG12 1
   ATOM 704 HG13 A VAL A 23 ? 8.78166 9.03187 10.41248 0.647 9.61948 H ? A ? 24 HG13 1
   ATOM 705 HG21 A VAL A 23 ? 8.12972 7.91684 7.74523 0.647 10.43268 H ? A ? 24 HG21 1
   ATOM 706 HG22 A VAL A 23 ? 7.19494 7.53077 8.97023 0.647 10.43268 H ? A ? 24 HG22 1
   ATOM 707 HG23 A VAL A 23 ? 6.56860 8.20199 7.67382 0.647 10.43268 H ? A ? 24 HG23 1
   ATOM 708 N B VAL A 23 ? 5.17298 9.80631 9.13573 0.353 6.62622 N ? A ? 24 N 1
   ATOM 709 CA B VAL A 23 ? 6.43364 9.86108 9.86631 0.353 6.59234 C ? A ? 24 CA 1
   ATOM 710 C B VAL A 23 ? 6.60426 11.29087 10.36962 0.353 6.02340 C ? A ? 24 C 1
   ATOM 711 O B VAL A 23 ? 6.66972 12.23588 9.57575 0.353 6.21978 O ? A ? 24 O 1
   ATOM 712 CB B VAL A 23 ? 7.61923 9.43521 8.99078 0.353 6.87331 C ? A ? 24 CB 1
   ATOM 713 CG1 B VAL A 23 ? 8.86881 9.22366 9.83220 0.353 7.70734 C ? A ? 24 CG1 1
   ATOM 714 CG2 B VAL A 23 ? 7.26649 8.16182 8.21371 0.353 8.53573 C ? A ? 24 CG2 1
   ATOM 715 H B VAL A 23 ? 5.20437 10.19782 8.37066 0.353 7.95147 H ? A ? 24 H 1
   ATOM 716 HA B VAL A 23 ? 6.39556 9.26317 10.62917 0.353 7.91080 H ? A ? 24 HA 1
   ATOM 717 HB B VAL A 23 ? 7.81055 10.14227 8.35489 0.353 8.24797 H ? A ? 24 HB 1
   ATOM 718 HG11 B VAL A 23 ? 9.58742 8.91506 9.25837 0.353 9.24881 H ? A ? 24 HG11 1
   ATOM 719 HG12 B VAL A 23 ? 9.11555 10.06450 10.24813 0.353 9.24881 H ? A ? 24 HG12 1
   ATOM 720 HG13 B VAL A 23 ? 8.68169 8.55967 10.51411 0.353 9.24881 H ? A ? 24 HG13 1
   ATOM 721 HG21 B VAL A 23 ? 8.06500 7.82753 7.77608 0.353 10.24288 H ? A ? 24 HG21 1
   ATOM 722 HG22 B VAL A 23 ? 6.92630 7.49770 8.83347 0.353 10.24288 H ? A ? 24 HG22 1
   ATOM 723 HG23 B VAL A 23 ? 6.59015 8.37324 7.55131 0.353 10.24288 H ? A ? 24 HG23 1
   ATOM 724 N A VAL A 24 ? 6.74622 11.46653 11.65187 0.647 5.69268 N ? A ? 25 N 1
   ATOM 725 CA A VAL A 24 ? 6.76572 12.77689 12.27563 0.647 5.81373 C ? A ? 25 CA 1
   ATOM 726 C A VAL A 24 ? 7.88668 12.90810 13.31230 0.647 5.96199 C ? A ? 25 C 1
   ATOM 727 O A VAL A 24 ? 8.39304 11.92722 13.87039 0.647 6.79383 O ? A ? 25 O 1
   ATOM 728 CB A VAL A 24 ? 5.45550 13.11406 13.01506 0.647 6.16478 C ? A ? 25 CB 1
   ATOM 729 CG1 A VAL A 24 ? 4.27698 13.06933 12.08359 0.647 6.95808 C ? A ? 25 CG1 1
   ATOM 730 CG2 A VAL A 24 ? 5.18523 12.18447 14.19694 0.647 7.11169 C ? A ? 25 CG2 1
   ATOM 731 H A VAL A 24 ? 6.87187 10.81121 12.19443 0.647 6.83122 H ? A ? 25 H 1
   ATOM 732 HA A VAL A 24 ? 6.93407 13.39672 11.54875 0.647 6.97647 H ? A ? 25 HA 1
   ATOM 733 HB A VAL A 24 ? 5.56608 14.01389 13.35999 0.647 7.39773 H ? A ? 25 HB 1
   ATOM 734 HG11 A VAL A 24 ? 3.48027 13.33425 12.56937 0.647 8.34970 H ? A ? 25 HG11 1
   ATOM 735 HG12 A VAL A 24 ? 4.43353 13.68031 11.34665 0.647 8.34970 H ? A ? 25 HG12 1
   ATOM 736 HG13 A VAL A 24 ? 4.17418 12.16521 11.74756 0.647 8.34970 H ? A ? 25 HG13 1
   ATOM 737 HG21 A VAL A 24 ? 4.25985 12.28258 14.47071 0.647 8.53402 H ? A ? 25 HG21 1
   ATOM 738 HG22 A VAL A 24 ? 5.35412 11.26915 13.92385 0.647 8.53402 H ? A ? 25 HG22 1
   ATOM 739 HG23 A VAL A 24 ? 5.77411 12.42520 14.92917 0.647 8.53402 H ? A ? 25 HG23 1
   ATOM 740 N B VAL A 24 ? 6.68572 11.46058 11.69166 0.353 5.62490 N ? A ? 25 N 1
   ATOM 741 CA B VAL A 24 ? 6.70972 12.79568 12.25854 0.353 5.61444 C ? A ? 25 CA 1
   ATOM 742 C B VAL A 24 ? 7.82178 12.90786 13.29395 0.353 5.86088 C ? A ? 25 C 1
   ATOM 743 O B VAL A 24 ? 8.35440 11.91333 13.79516 0.353 7.11485 O ? A ? 25 O 1
   ATOM 744 CB B VAL A 24 ? 5.37063 13.16665 12.92942 0.353 6.43909 C ? A ? 25 CB 1
   ATOM 745 CG1 B VAL A 24 ? 4.18388 12.82933 12.01800 0.353 6.74376 C ? A ? 25 CG1 1
   ATOM 746 CG2 B VAL A 24 ? 5.26335 12.49655 14.32881 0.353 5.22837 C ? A ? 25 CG2 1
   ATOM 747 H B VAL A 24 ? 6.72729 10.82200 12.26619 0.353 6.74988 H ? A ? 25 H 1
   ATOM 748 HA B VAL A 24 ? 6.90045 13.41683 11.53834 0.353 6.73733 H ? A ? 25 HA 1
   ATOM 749 HB B VAL A 24 ? 5.33722 14.12563 13.07138 0.353 7.72691 H ? A ? 25 HB 1
   ATOM 750 HG11 B VAL A 24 ? 3.37058 13.17572 12.41730 0.353 8.09251 H ? A ? 25 HG11 1
   ATOM 751 HG12 B VAL A 24 ? 4.32624 13.23801 11.14989 0.353 8.09251 H ? A ? 25 HG12 1
   ATOM 752 HG13 B VAL A 24 ? 4.12184 11.86590 11.92387 0.353 8.09251 H ? A ? 25 HG13 1
   ATOM 753 HG21 B VAL A 24 ? 4.33173 12.47512 14.59811 0.353 6.27404 H ? A ? 25 HG21 1
   ATOM 754 HG22 B VAL A 24 ? 5.61269 11.59330 14.27405 0.353 6.27404 H ? A ? 25 HG22 1
   ATOM 755 HG23 B VAL A 24 ? 5.78027 13.01302 14.96674 0.353 6.27404 H ? A ? 25 HG23 1
   ATOM 756 N A HIS A 25 ? 8.20884 14.16307 13.62085 0.647 5.61527 N ? A ? 26 N 1
   ATOM 757 CA A HIS A 25 ? 8.78304 14.48391 14.91892 0.647 5.78719 C ? A ? 26 CA 1
   ATOM 758 C A HIS A 25 ? 7.73497 15.20553 15.74488 0.647 5.38938 C ? A ? 26 C 1
   ATOM 759 O A HIS A 25 ? 6.86567 15.89394 15.20362 0.647 5.69278 O ? A ? 26 O 1
   ATOM 760 CB A HIS A 25 ? 10.06312 15.29629 14.79677 0.647 6.94029 C ? A ? 26 CB 1
   ATOM 761 CG A HIS A 25 ? 11.27118 14.41829 14.79333 0.647 8.45372 C ? A ? 26 CG 1
   ATOM 762 ND1 A HIS A 25 ? 11.51148 13.49183 15.79424 0.647 7.90013 N ? A ? 26 ND1 1
   ATOM 763 CD2 A HIS A 25 ? 12.30832 14.32613 13.93079 0.647 9.90452 C ? A ? 26 CD2 1
   ATOM 764 CE1 A HIS A 25 ? 12.65266 12.88184 15.53947 0.647 8.67961 C ? A ? 26 CE1 1
   ATOM 765 NE2 A HIS A 25 ? 13.15847 13.37553 14.42039 0.647 9.80851 N ? A ? 26 NE2 1
   ATOM 766 H A HIS A 25 ? 8.10372 14.83704 13.09711 0.647 6.73833 H ? A ? 26 H 1
   ATOM 767 HA A HIS A 25 ? 9.03608 13.67306 15.38731 0.647 6.94463 H ? A ? 26 HA 1
   ATOM 768 HB2 A HIS A 25 ? 10.04694 15.79689 13.96608 0.647 8.32835 H ? A ? 26 HB2 1
   ATOM 769 HB3 A HIS A 25 ? 10.12970 15.90456 15.54942 0.647 8.32835 H ? A ? 26 HB3 1
   ATOM 770 HD1 A HIS A 25 ? 11.00135 13.33959 16.46965 0.647 9.48016 H ? A ? 26 HD1 1
   ATOM 771 HD2 A HIS A 25 ? 12.42177 14.81816 13.14980 0.647 11.88543 H ? A ? 26 HD2 1
   ATOM 772 HE1 A HIS A 25 ? 13.03838 12.21481 16.06023 0.647 10.41554 H ? A ? 26 HE1 1
   ATOM 773 N B HIS A 25 ? 8.12767 14.15697 13.64746 0.353 5.70300 N ? A ? 26 N 1
   ATOM 774 CA B HIS A 25 ? 8.79697 14.46407 14.90598 0.353 5.80469 C ? A ? 26 CA 1
   ATOM 775 C B HIS A 25 ? 7.87048 15.29747 15.76809 0.353 5.42513 C ? A ? 26 C 1
   ATOM 776 O B HIS A 25 ? 7.13546 16.13932 15.25109 0.353 4.86334 O ? A ? 26 O 1
   ATOM 777 CB B HIS A 25 ? 10.04938 15.28628 14.70221 0.353 7.44228 C ? A ? 26 CB 1
   ATOM 778 CG B HIS A 25 ? 11.28065 14.46079 14.67166 0.353 8.82261 C ? A ? 26 CG 1
   ATOM 779 ND1 B HIS A 25 ? 11.63181 13.62299 15.70763 0.353 10.03470 N ? A ? 26 ND1 1
   ATOM 780 CD2 B HIS A 25 ? 12.24178 14.33120 13.73474 0.353 10.14539 C ? A ? 26 CD2 1
   ATOM 781 CE1 B HIS A 25 ? 12.76455 13.02038 15.40673 0.353 9.39833 C ? A ? 26 CE1 1
   ATOM 782 NE2 B HIS A 25 ? 13.15588 13.43264 14.21449 0.353 10.77320 N ? A ? 26 NE2 1
   ATOM 783 H B HIS A 25 ? 7.95432 14.84901 13.16723 0.353 6.84361 H ? A ? 26 H 1
   ATOM 784 HA B HIS A 25 ? 9.02762 13.62631 15.33710 0.353 6.96563 H ? A ? 26 HA 1
   ATOM 785 HB2 B HIS A 25 ? 9.98322 15.75775 13.85708 0.353 8.93074 H ? A ? 26 HB2 1
   ATOM 786 HB3 B HIS A 25 ? 10.13191 15.92130 15.43079 0.353 8.93074 H ? A ? 26 HB3 1
   ATOM 787 HD2 B HIS A 25 ? 12.27692 14.77032 12.91569 0.353 12.17446 H ? A ? 26 HD2 1
   ATOM 788 HE1 B HIS A 25 ? 13.21307 12.40770 15.94372 0.353 11.27799 H ? A ? 26 HE1 1
   ATOM 789 HE2 B HIS A 25 ? 13.86872 13.17801 13.80629 0.353 12.92784 H ? A ? 26 HE2 1
   ATOM 790 N A TYR A 26 ? 7.76892 14.97430 17.05248 0.647 5.68645 N ? A ? 27 N 1
   ATOM 791 CA A TYR A 26 ? 6.87575 15.69179 17.94867 0.647 5.91937 C ? A ? 27 CA 1
   ATOM 792 C A TYR A 26 ? 7.56011 16.04249 19.26414 0.647 5.49804 C ? A ? 27 C 1
   ATOM 793 O A TYR A 26 ? 8.44094 15.32008 19.73647 0.647 5.75048 O ? A ? 27 O 1
   ATOM 794 CB A TYR A 26 ? 5.58833 14.88150 18.26790 0.647 6.05430 C ? A ? 27 CB 1
   ATOM 795 CG A TYR A 26 ? 5.81176 13.71425 19.21783 0.647 5.75675 C ? A ? 27 CG 1
   ATOM 796 CD1 A TYR A 26 ? 6.17488 12.46645 18.72885 0.647 6.23049 C ? A ? 27 CD1 1
   ATOM 797 CD2 A TYR A 26 ? 5.67257 13.85643 20.58470 0.647 5.77390 C ? A ? 27 CD2 1
   ATOM 798 CE1 A TYR A 26 ? 6.39959 11.42048 19.57373 0.647 6.22703 C ? A ? 27 CE1 1
   ATOM 799 CE2 A TYR A 26 ? 5.90057 12.80809 21.42926 0.647 6.39668 C ? A ? 27 CE2 1
   ATOM 800 CZ A TYR A 26 ? 6.26089 11.57502 20.93698 0.647 5.63997 C ? A ? 27 CZ 1
   ATOM 801 OH A TYR A 26 ? 6.51283 10.46620 21.70915 0.647 6.84823 O ? A ? 27 OH 1
   ATOM 802 H A TYR A 26 ? 8.29452 14.41331 17.43803 0.647 6.82374 H ? A ? 27 H 1
   ATOM 803 HA A TYR A 26 ? 6.63891 16.52190 17.50627 0.647 7.10325 H ? A ? 27 HA 1
   ATOM 804 HB2 A TYR A 26 ? 4.94054 15.47579 18.67789 0.647 7.26516 H ? A ? 27 HB2 1
   ATOM 805 HB3 A TYR A 26 ? 5.23261 14.52380 17.43941 0.647 7.26516 H ? A ? 27 HB3 1
   ATOM 806 HD1 A TYR A 26 ? 6.26613 12.34248 17.81168 0.647 7.47659 H ? A ? 27 HD1 1
   ATOM 807 HD2 A TYR A 26 ? 5.41942 14.67969 20.93550 0.647 6.92867 H ? A ? 27 HD2 1
   ATOM 808 HE1 A TYR A 26 ? 6.64896 10.59427 19.22719 0.647 7.47244 H ? A ? 27 HE1 1
   ATOM 809 HE2 A TYR A 26 ? 5.81133 12.92888 22.34705 0.647 7.67602 H ? A ? 27 HE2 1
   ATOM 810 HH A TYR A 26 ? 5.94081 10.40644 22.32137 0.647 8.21788 H ? A ? 27 HH 1
   ATOM 811 N B TYR A 26 ? 7.89845 15.07021 17.07488 0.353 5.70328 N ? A ? 27 N 1
   ATOM 812 CA B TYR A 26 ? 6.96080 15.76434 17.93351 0.353 5.51814 C ? A ? 27 CA 1
   ATOM 813 C B TYR A 26 ? 7.59775 16.11637 19.26340 0.353 5.37661 C ? A ? 27 C 1
   ATOM 814 O B TYR A 26 ? 8.60271 15.54018 19.68630 0.353 5.46481 O ? A ? 27 O 1
   ATOM 815 CB B TYR A 26 ? 5.63801 14.96832 18.17257 0.353 5.87260 C ? A ? 27 CB 1
   ATOM 816 CG B TYR A 26 ? 5.79434 13.74450 19.07459 0.353 5.87200 C ? A ? 27 CG 1
   ATOM 817 CD1 B TYR A 26 ? 6.16388 12.51474 18.55085 0.353 5.84590 C ? A ? 27 CD1 1
   ATOM 818 CD2 B TYR A 26 ? 5.60350 13.82584 20.44492 0.353 5.87228 C ? A ? 27 CD2 1
   ATOM 819 CE1 B TYR A 26 ? 6.34407 11.40750 19.37246 0.353 6.11666 C ? A ? 27 CE1 1
   ATOM 820 CE2 B TYR A 26 ? 5.78628 12.72331 21.27003 0.353 5.96334 C ? A ? 27 CE2 1
   ATOM 821 CZ B TYR A 26 ? 6.14844 11.50553 20.74375 0.353 6.90869 C ? A ? 27 CZ 1
   ATOM 822 OH B TYR A 26 ? 6.32454 10.38854 21.54689 0.353 7.44727 O ? A ? 27 OH 1
   ATOM 823 H B TYR A 26 ? 8.43814 14.53225 17.47355 0.353 6.84393 H ? A ? 27 H 1
   ATOM 824 HA B TYR A 26 ? 6.73355 16.59503 17.48719 0.353 6.62177 H ? A ? 27 HA 1
   ATOM 825 HB2 B TYR A 26 ? 4.99172 15.55962 18.58919 0.353 7.04712 H ? A ? 27 HB2 1
   ATOM 826 HB3 B TYR A 26 ? 5.30246 14.66087 17.31596 0.353 7.04712 H ? A ? 27 HB3 1
   ATOM 827 HD1 B TYR A 26 ? 6.29348 12.42909 17.63391 0.353 7.01508 H ? A ? 27 HD1 1
   ATOM 828 HD2 B TYR A 26 ? 5.34724 14.63705 20.82064 0.353 7.04673 H ? A ? 27 HD2 1
   ATOM 829 HE1 B TYR A 26 ? 6.59790 10.59392 19.00022 0.353 7.33999 H ? A ? 27 HE1 1
   ATOM 830 HE2 B TYR A 26 ? 5.66246 12.80965 22.18770 0.353 7.15601 H ? A ? 27 HE2 1
   ATOM 831 HH B TYR A 26 ? 5.75542 10.38630 22.16471 0.353 8.93672 H ? A ? 27 HH 1
   ATOM 832 N A THR A 27 ? 7.08891 17.13496 19.87475 0.647 5.52007 N ? A ? 28 N 1
   ATOM 833 CA A THR A 27 ? 7.27391 17.43209 21.28511 0.647 5.36903 C ? A ? 28 CA 1
   ATOM 834 C A THR A 27 ? 5.88684 17.58127 21.89243 0.647 4.88475 C ? A ? 28 C 1
   ATOM 835 O A THR A 27 ? 5.02324 18.25703 21.30884 0.647 5.72306 O ? A ? 28 O 1
   ATOM 836 CB A THR A 27 ? 8.09725 18.70234 21.48246 0.647 6.29762 C ? A ? 28 CB 1
   ATOM 837 OG1 A THR A 27 ? 9.34515 18.53430 20.78309 0.647 9.22820 O ? A ? 28 OG1 1
   ATOM 838 CG2 A THR A 27 ? 8.38662 18.99682 22.93326 0.647 8.74700 C ? A ? 28 CG2 1
   ATOM 839 H A THR A 27 ? 6.63827 17.74337 19.46687 0.647 6.62408 H ? A ? 28 H 1
   ATOM 840 HA A THR A 27 ? 7.74943 16.71562 21.73394 0.647 6.44284 H ? A ? 28 HA 1
   ATOM 841 HB A THR A 27 ? 7.59321 19.45845 21.14313 0.647 7.55714 H ? A ? 28 HB 1
   ATOM 842 HG1 A THR A 27 ? 9.80765 19.23241 20.84892 0.647 11.07384 H ? A ? 28 HG1 1
   ATOM 843 HG21 A THR A 27 ? 8.98744 19.75500 23.00446 0.647 10.49640 H ? A ? 28 HG21 1
   ATOM 844 HG22 A THR A 27 ? 7.56218 19.20350 23.40067 0.647 10.49640 H ? A ? 28 HG22 1
   ATOM 845 HG23 A THR A 27 ? 8.80117 18.22625 23.35191 0.647 10.49640 H ? A ? 28 HG23 1
   ATOM 846 N B THR A 27 ? 6.94708 17.05741 19.93241 0.353 4.85416 N ? A ? 28 N 1
   ATOM 847 CA B THR A 27 ? 7.23801 17.38395 21.31494 0.353 5.52258 C ? A ? 28 CA 1
   ATOM 848 C B THR A 27 ? 5.90953 17.68888 21.97093 0.353 5.11084 C ? A ? 28 C 1
   ATOM 849 O B THR A 27 ? 5.18327 18.59087 21.49981 0.353 4.20057 O ? A ? 28 O 1
   ATOM 850 CB B THR A 27 ? 8.17313 18.57182 21.43701 0.353 6.77579 C ? A ? 28 CB 1
   ATOM 851 OG1 B THR A 27 ? 9.44968 18.19987 20.88085 0.353 6.82673 O ? A ? 28 OG1 1
   ATOM 852 CG2 B THR A 27 ? 8.33068 19.02351 22.88780 0.353 8.75760 C ? A ? 28 CG2 1
   ATOM 853 H B THR A 27 ? 6.31485 17.53310 19.59535 0.353 5.82499 H ? A ? 28 H 1
   ATOM 854 HA B THR A 27 ? 7.66834 16.63376 21.75419 0.353 6.62710 H ? A ? 28 HA 1
   ATOM 855 HB B THR A 27 ? 7.80927 19.33095 20.95510 0.353 8.13094 H ? A ? 28 HB 1
   ATOM 856 HG1 B THR A 27 ? 9.96311 18.86461 20.87024 0.353 8.19208 H ? A ? 28 HG1 1
   ATOM 857 HG21 B THR A 27 ? 9.05755 19.66180 22.95946 0.353 10.50912 H ? A ? 28 HG21 1
   ATOM 858 HG22 B THR A 27 ? 7.51194 19.44293 23.19546 0.353 10.50912 H ? A ? 28 HG22 1
   ATOM 859 HG23 B THR A 27 ? 8.52519 18.26007 23.45369 0.353 10.50912 H ? A ? 28 HG23 1
   ATOM 860 N A GLY A 28 ? 5.66117 16.94595 23.04408 0.647 5.25712 N ? A ? 29 N 1
   ATOM 861 CA A GLY A 28 ? 4.38726 17.04282 23.73653 0.647 5.50160 C ? A ? 29 CA 1
   ATOM 862 C A GLY A 28 ? 4.55942 17.82596 25.02700 0.647 5.41917 C ? A ? 29 C 1
   ATOM 863 O A GLY A 28 ? 5.48557 17.54497 25.80692 0.647 4.59833 O ? A ? 29 O 1
   ATOM 864 H A GLY A 28 ? 6.23946 16.44979 23.44285 0.647 6.30854 H ? A ? 29 H 1
   ATOM 865 HA2 A GLY A 28 ? 3.73897 17.49676 23.17566 0.647 6.60193 H ? A ? 29 HA2 1
   ATOM 866 HA3 A GLY A 28 ? 4.05635 16.15568 23.94717 0.647 6.60193 H ? A ? 29 HA3 1
   ATOM 867 N B GLY A 28 ? 5.61261 16.94273 23.03364 0.353 5.33942 N ? A ? 29 N 1
   ATOM 868 CA B GLY A 28 ? 4.37748 17.11805 23.77890 0.353 5.53777 C ? A ? 29 CA 1
   ATOM 869 C B GLY A 28 ? 4.55599 17.97337 25.02171 0.353 4.76677 C ? A ? 29 C 1
   ATOM 870 O B GLY A 28 ? 5.57987 17.88704 25.72396 0.353 6.17278 O ? A ? 29 O 1
   ATOM 871 H B GLY A 28 ? 6.12015 16.32129 23.34318 0.353 6.40730 H ? A ? 29 H 1
   ATOM 872 HA2 B GLY A 28 ? 3.71806 17.54423 23.20931 0.353 6.64532 H ? A ? 29 HA2 1
   ATOM 873 HA3 B GLY A 28 ? 4.04364 16.24968 24.05346 0.353 6.64532 H ? A ? 29 HA3 1
   ATOM 874 N A MET A 29 ? 3.66097 18.81669 25.22448 0.647 5.45251 N ? A ? 30 N 1
   ATOM 875 CA A MET A 29 ? 3.73201 19.67599 26.38897 0.647 5.58508 C ? A ? 30 CA 1
   ATOM 876 C A MET A 29 ? 2.32808 19.98995 26.90733 0.647 5.20909 C ? A ? 30 C 1
   ATOM 877 O A MET A 29 ? 1.32590 19.86651 26.19721 0.647 6.14449 O ? A ? 30 O 1
   ATOM 878 CB A MET A 29 ? 4.57241 20.95008 26.16567 0.647 12.96604 C ? A ? 30 CB 1
   ATOM 879 CG A MET A 29 ? 4.29012 21.85128 24.98395 0.647 14.97328 C ? A ? 30 CG 1
   ATOM 880 SD A MET A 29 ? 5.80332 22.52852 24.16579 0.647 8.81808 S ? A ? 30 SD 1
   ATOM 881 CE A MET A 29 ? 5.14708 21.99498 22.59096 0.647 9.61759 C ? A ? 30 CE 1
   ATOM 882 H A MET A 29 ? 3.01069 18.99644 24.69116 0.647 6.54301 H ? A ? 30 H 1
   ATOM 883 HA A MET A 29 ? 4.19113 19.18441 27.08786 0.647 6.70209 H ? A ? 30 HA 1
   ATOM 884 HB2 A MET A 29 ? 4.46882 21.50353 26.95551 0.647 15.55925 H ? A ? 30 HB2 1
   ATOM 885 HB3 A MET A 29 ? 5.49697 20.67103 26.07502 0.647 15.55925 H ? A ? 30 HB3 1
   ATOM 886 HG2 A MET A 29 ? 3.79824 21.34523 24.31846 0.647 17.96794 H ? A ? 30 HG2 1
   ATOM 887 HG3 A MET A 29 ? 3.75898 22.60394 25.28776 0.647 17.96794 H ? A ? 30 HG3 1
   ATOM 888 HE1 A MET A 29 ? 5.77364 22.23447 21.89027 0.647 11.54111 H ? A ? 30 HE1 1
   ATOM 889 HE2 A MET A 29 ? 5.02372 21.03304 22.60979 0.647 11.54111 H ? A ? 30 HE2 1
   ATOM 890 HE3 A MET A 29 ? 4.29606 22.43467 22.43816 0.647 11.54111 H ? A ? 30 HE3 1
   ATOM 891 N B MET A 29 ? 3.53978 18.79579 25.28647 0.353 5.01056 N ? A ? 30 N 1
   ATOM 892 CA B MET A 29 ? 3.60679 19.77505 26.35229 0.353 5.03657 C ? A ? 30 CA 1
   ATOM 893 C B MET A 29 ? 2.19823 19.99119 26.88250 0.353 5.64001 C ? A ? 30 C 1
   ATOM 894 O B MET A 29 ? 1.22178 19.54425 26.28102 0.353 4.96562 O ? A ? 30 O 1
   ATOM 895 CB B MET A 29 ? 4.28294 21.05118 25.84696 0.353 2.28203 C ? A ? 30 CB 1
   ATOM 896 CG B MET A 29 ? 3.59534 21.87980 24.85472 0.353 8.12564 C ? A ? 30 CG 1
   ATOM 897 SD B MET A 29 ? 4.85795 22.96403 24.09595 0.353 6.75296 S ? A ? 30 SD 1
   ATOM 898 CE B MET A 29 ? 5.66960 21.81466 22.98092 0.353 9.76590 C ? A ? 30 CE 1
   ATOM 899 H B MET A 29 ? 2.79617 18.80061 24.85447 0.353 6.01267 H ? A ? 30 H 1
   ATOM 900 HA B MET A 29 ? 4.14005 19.45459 27.09649 0.353 6.04389 H ? A ? 30 HA 1
   ATOM 901 HB2 B MET A 29 ? 4.43955 21.62093 26.61622 0.353 2.73844 H ? A ? 30 HB2 1
   ATOM 902 HB3 B MET A 29 ? 5.12842 20.79318 25.44759 0.353 2.73844 H ? A ? 30 HB3 1
   ATOM 903 HG2 B MET A 29 ? 3.19283 21.32295 24.17003 0.353 9.75077 H ? A ? 30 HG2 1
   ATOM 904 HG3 B MET A 29 ? 2.91542 22.42405 25.28180 0.353 9.75077 H ? A ? 30 HG3 1
   ATOM 905 HE1 B MET A 29 ? 6.22788 22.31376 22.36437 0.353 11.71908 H ? A ? 30 HE1 1
   ATOM 906 HE2 B MET A 29 ? 6.21491 21.20296 23.49992 0.353 11.71908 H ? A ? 30 HE2 1
   ATOM 907 HE3 B MET A 29 ? 4.99434 21.32074 22.49005 0.353 11.71908 H ? A ? 30 HE3 1
   ATOM 908 N A LEU A 30 ? 2.24827 20.38954 28.18583 0.647 6.47354 N ? A ? 31 N 1
   ATOM 909 CA A LEU A 30 ? 1.00669 20.98188 28.69520 0.647 6.66777 C ? A ? 31 CA 1
   ATOM 910 C A LEU A 30 ? 0.81816 22.36866 28.09608 0.647 6.72635 C ? A ? 31 C 1
   ATOM 911 O A LEU A 30 ? 1.69298 22.88537 27.37589 0.647 7.04981 O ? A ? 31 O 1
   ATOM 912 CB A LEU A 30 ? 1.04336 21.05956 30.20649 0.647 8.68046 C ? A ? 31 CB 1
   ATOM 913 CG A LEU A 30 ? 1.25320 19.72568 30.91645 0.647 8.01861 C ? A ? 31 CG 1
   ATOM 914 CD1 A LEU A 30 ? 1.15889 19.97825 32.41210 0.647 9.54603 C ? A ? 31 CD1 1
   ATOM 915 CD2 A LEU A 30 ? 0.26838 18.67918 30.44723 0.647 10.39083 C ? A ? 31 CD2 1
   ATOM 916 H A LEU A 30 ? 2.88398 20.32909 28.76187 0.647 7.76825 H ? A ? 31 H 1
   ATOM 917 HA A LEU A 30 ? 0.25914 20.42099 28.43547 0.647 8.00132 H ? A ? 31 HA 1
   ATOM 918 HB2 A LEU A 30 ? 1.77197 21.64521 30.46540 0.647 10.41655 H ? A ? 31 HB2 1
   ATOM 919 HB3 A LEU A 30 ? 0.19905 21.42413 30.51493 0.647 10.41655 H ? A ? 31 HB3 1
   ATOM 920 HG A LEU A 30 ? 2.12690 19.35962 30.70776 0.647 9.62233 H ? A ? 31 HG 1
   ATOM 921 HD11 A LEU A 30 ? 1.34430 19.15147 32.88429 0.647 11.45523 H ? A ? 31 HD11 1
   ATOM 922 HD12 A LEU A 30 ? 1.80940 20.65375 32.65994 0.647 11.45523 H ? A ? 31 HD12 1
   ATOM 923 HD13 A LEU A 30 ? 0.26418 20.28696 32.62444 0.647 11.45523 H ? A ? 31 HD13 1
   ATOM 924 HD21 A LEU A 30 ? 0.38280 17.87656 30.97977 0.647 12.46900 H ? A ? 31 HD21 1
   ATOM 925 HD22 A LEU A 30 ? -0.63245 19.02227 30.55536 0.647 12.46900 H ? A ? 31 HD22 1
   ATOM 926 HD23 A LEU A 30 ? 0.43759 18.48287 29.51250 0.647 12.46900 H ? A ? 31 HD23 1
   ATOM 927 N B LEU A 30 ? 2.10554 20.65381 28.05242 0.353 5.75271 N ? A ? 31 N 1
   ATOM 928 CA B LEU A 30 ? 0.85992 21.26398 28.51409 0.353 4.47534 C ? A ? 31 CA 1
   ATOM 929 C B LEU A 30 ? 0.79265 22.70278 27.98916 0.353 5.31903 C ? A ? 31 C 1
   ATOM 930 O B LEU A 30 ? 1.69779 23.17388 27.29555 0.353 5.85216 O ? A ? 31 O 1
   ATOM 931 CB B LEU A 30 ? 0.72893 21.20369 30.03971 0.353 5.82061 C ? A ? 31 CB 1
   ATOM 932 CG B LEU A 30 ? 0.75790 19.80597 30.67108 0.353 6.61806 C ? A ? 31 CG 1
   ATOM 933 CD1 B LEU A 30 ? 0.45912 19.81534 32.15521 0.353 7.45432 C ? A ? 31 CD1 1
   ATOM 934 CD2 B LEU A 30 ? -0.21323 18.85798 29.95877 0.353 10.26877 C ? A ? 31 CD2 1
   ATOM 935 H B LEU A 30 ? 2.76245 20.76041 28.59713 0.353 6.90326 H ? A ? 31 H 1
   ATOM 936 HA B LEU A 30 ? 0.11117 20.75966 28.15920 0.353 5.37041 H ? A ? 31 HA 1
   ATOM 937 HB2 B LEU A 30 ? 1.46358 21.70644 30.42498 0.353 6.98473 H ? A ? 31 HB2 1
   ATOM 938 HB3 B LEU A 30 ? -0.11655 21.61070 30.28552 0.353 6.98473 H ? A ? 31 HB3 1
   ATOM 939 HG B LEU A 30 ? 1.66433 19.47740 30.56466 0.353 7.94168 H ? A ? 31 HG 1
   ATOM 940 HD11 B LEU A 30 ? 0.48759 18.90496 32.48883 0.353 8.94518 H ? A ? 31 HD11 1
   ATOM 941 HD12 B LEU A 30 ? 1.12608 20.35464 32.60822 0.353 8.94518 H ? A ? 31 HD12 1
   ATOM 942 HD13 B LEU A 30 ? -0.42328 20.19227 32.29734 0.353 8.94518 H ? A ? 31 HD13 1
   ATOM 943 HD21 B LEU A 30 ? -0.31986 18.05532 30.49288 0.353 12.32253 H ? A ? 31 HD21 1
   ATOM 944 HD22 B LEU A 30 ? -1.06919 19.30231 29.85489 0.353 12.32253 H ? A ? 31 HD22 1
   ATOM 945 HD23 B LEU A 30 ? 0.14909 18.63033 29.08826 0.353 12.32253 H ? A ? 31 HD23 1
   ATOM 946 N A GLU A 31 ? -0.31224 23.01487 28.42080 0.647 8.70684 N ? A ? 32 N 1
   ATOM 947 CA A GLU A 31 ? -0.64224 24.29087 27.77487 0.647 9.00938 C ? A ? 32 CA 1
   ATOM 948 C A GLU A 31 ? 0.33540 25.39035 28.11489 0.647 8.05266 C ? A ? 32 C 1
   ATOM 949 O A GLU A 31 ? 0.41522 26.38116 27.38052 0.647 10.50672 O ? A ? 32 O 1
   ATOM 950 CB A GLU A 31 ? -2.02318 24.75942 28.20089 0.647 10.44224 C ? A ? 32 CB 1
   ATOM 951 CG A GLU A 31 ? -3.04066 24.73189 27.14499 0.647 17.61214 C ? A ? 32 CG 1
   ATOM 952 CD A GLU A 31 ? -2.71999 25.60345 25.97436 0.647 18.91045 C ? A ? 32 CD 1
   ATOM 953 OE1 A GLU A 31 ? -2.27603 26.76609 26.11275 0.647 20.14351 O ? A ? 32 OE1 1
   ATOM 954 OE2 A GLU A 31 ? -2.96148 25.09528 24.87895 0.647 19.33783 O ? A ? 32 OE2 1
   ATOM 955 H A GLU A 31 ? -0.88909 22.74174 28.99720 0.647 10.44821 H ? A ? 32 H 1
   ATOM 956 HA A GLU A 31 ? -0.63044 24.13791 26.81707 0.647 10.81126 H ? A ? 32 HA 1
   ATOM 957 HB2 A GLU A 31 ? -2.33380 24.18606 28.91899 0.647 12.53068 H ? A ? 32 HB2 1
   ATOM 958 HB3 A GLU A 31 ? -1.95363 25.67492 28.51382 0.647 12.53068 H ? A ? 32 HB3 1
   ATOM 959 HG2 A GLU A 31 ? -3.12882 23.82207 26.82042 0.647 21.13457 H ? A ? 32 HG2 1
   ATOM 960 HG3 A GLU A 31 ? -3.88396 25.03479 27.51646 0.647 21.13457 H ? A ? 32 HG3 1
   ATOM 961 N B GLU A 31 ? -0.30070 23.40005 28.29290 0.353 3.78162 N ? A ? 32 N 1
   ATOM 962 CA B GLU A 31 ? -0.49291 24.74345 27.79561 0.353 6.00283 C ? A ? 32 CA 1
   ATOM 963 C B GLU A 31 ? 0.53453 25.73642 28.32056 0.353 7.90209 C ? A ? 32 C 1
   ATOM 964 O B GLU A 31 ? 0.70103 26.80923 27.72180 0.353 10.97444 O ? A ? 32 O 1
   ATOM 965 CB B GLU A 31 ? -1.93731 25.15149 28.10703 0.353 9.66219 C ? A ? 32 CB 1
   ATOM 966 CG B GLU A 31 ? -2.93624 24.33209 27.29134 0.353 15.14970 C ? A ? 32 CG 1
   ATOM 967 CD B GLU A 31 ? -2.86308 24.73250 25.84350 0.353 16.24498 C ? A ? 32 CD 1
   ATOM 968 OE1 B GLU A 31 ? -2.40064 25.86413 25.60529 0.353 18.52084 O ? A ? 32 OE1 1
   ATOM 969 OE2 B GLU A 31 ? -3.22895 23.93476 24.95561 0.353 18.40412 O ? A ? 32 OE2 1
   ATOM 970 H B GLU A 31 ? -0.94300 23.11114 28.78644 0.353 4.53795 H ? A ? 32 H 1
   ATOM 971 HA B GLU A 31 ? -0.37599 24.77385 26.83317 0.353 7.20339 H ? A ? 32 HA 1
   ATOM 972 HB2 B GLU A 31 ? -2.11663 25.00347 29.04875 0.353 11.59463 H ? A ? 32 HB2 1
   ATOM 973 HB3 B GLU A 31 ? -2.06004 26.08873 27.88925 0.353 11.59463 H ? A ? 32 HB3 1
   ATOM 974 HG2 B GLU A 31 ? -2.72343 23.38863 27.36549 0.353 18.17964 H ? A ? 32 HG2 1
   ATOM 975 HG3 B GLU A 31 ? -3.83571 24.49577 27.61547 0.353 18.17964 H ? A ? 32 HG3 1
   ATOM 976 N A ASP A 32 ? 1.02027 25.26822 29.26329 0.647 7.89995 N ? A ? 33 N 1
   ATOM 977 CA A ASP A 32 ? 2.06856 26.19320 29.68513 0.647 8.18734 C ? A ? 33 CA 1
   ATOM 978 C A ASP A 32 ? 3.43990 25.87257 29.10388 0.647 7.78416 C ? A ? 33 C 1
   ATOM 979 O A ASP A 32 ? 4.42753 26.52135 29.47929 0.647 9.37673 O ? A ? 33 O 1
   ATOM 980 CB A ASP A 32 ? 2.13556 26.26569 31.21914 0.647 9.16141 C ? A ? 33 CB 1
   ATOM 981 CG A ASP A 32 ? 2.57293 24.94813 31.85236 0.647 9.41998 C ? A ? 33 CG 1
   ATOM 982 OD1 A ASP A 32 ? 2.83128 23.93989 31.17801 0.647 10.17192 O ? A ? 33 OD1 1
   ATOM 983 OD2 A ASP A 32 ? 2.65291 24.95150 33.11833 0.647 14.97556 O ? A ? 33 OD2 1
   ATOM 984 H A ASP A 32 ? 0.88691 24.63470 29.82938 0.647 9.47994 H ? A ? 33 H 1
   ATOM 985 HA A ASP A 32 ? 1.83066 27.07729 29.36467 0.647 9.82481 H ? A ? 33 HA 1
   ATOM 986 HB2 A ASP A 32 ? 2.77452 26.94884 31.47593 0.647 10.99369 H ? A ? 33 HB2 1
   ATOM 987 HB3 A ASP A 32 ? 1.25644 26.48725 31.56404 0.647 10.99369 H ? A ? 33 HB3 1
   ATOM 988 N B ASP A 32 ? 1.26001 25.41178 29.39036 0.353 7.63460 N ? A ? 33 N 1
   ATOM 989 CA B ASP A 32 ? 2.35627 26.26362 29.86248 0.353 6.28553 C ? A ? 33 CA 1
   ATOM 990 C B ASP A 32 ? 3.69258 25.86060 29.27784 0.353 7.82474 C ? A ? 33 C 1
   ATOM 991 O B ASP A 32 ? 4.74081 26.36848 29.69627 0.353 8.26661 O ? A ? 33 O 1
   ATOM 992 CB B ASP A 32 ? 2.40277 26.27618 31.37568 0.353 8.68961 C ? A ? 33 CB 1
   ATOM 993 CG B ASP A 32 ? 2.80142 24.97020 31.93557 0.353 10.46500 C ? A ? 33 CG 1
   ATOM 994 OD1 B ASP A 32 ? 2.80970 23.94782 31.22339 0.353 10.25083 O ? A ? 33 OD1 1
   ATOM 995 OD2 B ASP A 32 ? 3.11643 24.99387 33.14270 0.353 10.57717 O ? A ? 33 OD2 1
   ATOM 996 H B ASP A 32 ? 1.13760 24.70258 29.86117 0.353 9.16152 H ? A ? 33 H 1
   ATOM 997 HA B ASP A 32 ? 2.18645 27.17745 29.58502 0.353 7.54263 H ? A ? 33 HA 1
   ATOM 998 HB2 B ASP A 32 ? 3.04744 26.93929 31.66822 0.353 10.42753 H ? A ? 33 HB2 1
   ATOM 999 HB3 B ASP A 32 ? 1.52237 26.49544 31.71877 0.353 10.42753 H ? A ? 33 HB3 1
   ATOM 1000 N A GLY A 33 ? 3.54888 24.92205 28.18026 0.647 7.11512 N ? A ? 34 N 1
   ATOM 1001 CA A GLY A 33 ? 4.83927 24.55957 27.61034 0.647 7.16890 C ? A ? 34 CA 1
   ATOM 1002 C A GLY A 33 ? 5.64131 23.53520 28.37672 0.647 7.88094 C ? A ? 34 C 1
   ATOM 1003 O A GLY A 33 ? 6.72028 23.13137 27.90017 0.647 8.81096 O ? A ? 34 O 1
   ATOM 1004 H A GLY A 33 ? 2.88662 24.47162 27.86703 0.647 8.53814 H ? A ? 34 H 1
   ATOM 1005 HA2 A GLY A 33 ? 4.69100 24.20497 26.71974 0.647 8.60268 H ? A ? 34 HA2 1
   ATOM 1006 HA3 A GLY A 33 ? 5.38038 25.36194 27.54474 0.647 8.60268 H ? A ? 34 HA3 1
   ATOM 1007 N B GLY A 33 ? 3.67131 24.98982 28.27841 0.353 7.15469 N ? A ? 34 N 1
   ATOM 1008 CA B GLY A 33 ? 4.84550 24.64498 27.51962 0.353 7.09962 C ? A ? 34 CA 1
   ATOM 1009 C B GLY A 33 ? 5.72557 23.61254 28.17148 0.353 7.85644 C ? A ? 34 C 1
   ATOM 1010 O B GLY A 33 ? 6.74040 23.22387 27.57521 0.353 7.13170 O ? A ? 34 O 1
   ATOM 1011 H B GLY A 33 ? 2.96347 24.57649 28.01818 0.353 8.58562 H ? A ? 34 H 1
   ATOM 1012 HA2 B GLY A 33 ? 4.56926 24.29891 26.65658 0.353 8.51955 H ? A ? 34 HA2 1
   ATOM 1013 HA3 B GLY A 33 ? 5.37594 25.44564 27.38372 0.353 8.51955 H ? A ? 34 HA3 1
   ATOM 1014 N A LYS A 34 ? 5.16938 23.06867 29.51478 0.647 8.22890 N ? A ? 35 N 1
   ATOM 1015 CA A LYS A 34 ? 5.97839 22.10831 30.23724 0.647 8.90934 C ? A ? 35 CA 1
   ATOM 1016 C A LYS A 34 ? 6.00585 20.79764 29.46364 0.647 8.38383 C ? A ? 35 C 1
   ATOM 1017 O A LYS A 34 ? 4.96344 20.18158 29.21989 0.647 7.77346 O ? A ? 35 O 1
   ATOM 1018 CB A LYS A 34 ? 5.42666 21.90944 31.63817 0.647 10.66324 C ? A ? 35 CB 1
   ATOM 1019 CG A LYS A 34 ? 6.41661 21.21191 32.54158 0.647 17.82646 C ? A ? 35 CG 1
   ATOM 1020 CD A LYS A 34 ? 5.90601 21.15905 33.97169 0.647 20.06635 C ? A ? 35 CD 1
   ATOM 1021 CE A LYS A 34 ? 4.60726 20.36191 34.08642 0.647 19.47739 C ? A ? 35 CE 1
   ATOM 1022 NZ A LYS A 34 ? 4.03050 20.39521 35.45692 0.647 30.41432 N ? A ? 35 NZ 1
   ATOM 1023 H A LYS A 34 ? 4.41800 23.28183 29.87477 0.647 9.87468 H ? A ? 35 H 1
   ATOM 1024 HA A LYS A 34 ? 6.88770 22.43492 30.32317 0.647 10.69121 H ? A ? 35 HA 1
   ATOM 1025 HB2 A LYS A 34 ? 5.21966 22.77456 32.02497 0.647 12.79589 H ? A ? 35 HB2 1
   ATOM 1026 HB3 A LYS A 34 ? 4.62411 21.36671 31.59057 0.647 12.79589 H ? A ? 35 HB3 1
   ATOM 1027 HG2 A LYS A 34 ? 6.55324 20.30329 32.23072 0.647 21.39176 H ? A ? 35 HG2 1
   ATOM 1028 HG3 A LYS A 34 ? 7.25758 21.69525 32.53365 0.647 21.39176 H ? A ? 35 HG3 1
   ATOM 1029 HD2 A LYS A 34 ? 6.57282 20.73398 34.53345 0.647 24.07962 H ? A ? 35 HD2 1
   ATOM 1030 HD3 A LYS A 34 ? 5.73588 22.06160 34.28371 0.647 24.07962 H ? A ? 35 HD3 1
   ATOM 1031 HE2 A LYS A 34 ? 3.95203 20.73536 33.47641 0.647 23.37287 H ? A ? 35 HE2 1
   ATOM 1032 HE3 A LYS A 34 ? 4.78336 19.43582 33.85784 0.647 23.37287 H ? A ? 35 HE3 1
   ATOM 1033 HZ1 A LYS A 34 ? 3.25940 19.95111 35.47354 0.647 36.49718 H ? A ? 35 HZ1 1
   ATOM 1034 HZ2 A LYS A 34 ? 4.59372 20.01771 36.03345 0.647 36.49718 H ? A ? 35 HZ2 1
   ATOM 1035 HZ3 A LYS A 34 ? 3.88427 21.23726 35.70525 0.647 36.49718 H ? A ? 35 HZ3 1
   ATOM 1036 N B LYS A 34 ? 5.36972 23.12823 29.35659 0.353 8.07633 N ? A ? 35 N 1
   ATOM 1037 CA B LYS A 34 ? 6.20569 22.16446 30.07199 0.353 8.55658 C ? A ? 35 CA 1
   ATOM 1038 C B LYS A 34 ? 6.18607 20.82829 29.33702 0.353 7.83859 C ? A ? 35 C 1
   ATOM 1039 O B LYS A 34 ? 5.13038 20.21154 29.15665 0.353 7.80270 O ? A ? 35 O 1
   ATOM 1040 CB B LYS A 34 ? 5.71074 22.01097 31.51136 0.353 9.95372 C ? A ? 35 CB 1
   ATOM 1041 CG B LYS A 34 ? 6.72350 21.37597 32.46884 0.353 14.48897 C ? A ? 35 CG 1
   ATOM 1042 CD B LYS A 34 ? 6.32206 21.54456 33.94457 0.353 15.51125 C ? A ? 35 CD 1
   ATOM 1043 CE B LYS A 34 ? 4.97675 20.89873 34.26371 0.353 18.31074 C ? A ? 35 CE 1
   ATOM 1044 NZ B LYS A 34 ? 4.98901 19.43142 34.00753 0.353 17.82681 N ? A ? 35 NZ 1
   ATOM 1045 H B LYS A 34 ? 4.64700 23.34094 29.77137 0.353 9.69160 H ? A ? 35 H 1
   ATOM 1046 HA B LYS A 34 ? 7.12222 22.48051 30.10344 0.353 10.26790 H ? A ? 35 HA 1
   ATOM 1047 HB2 B LYS A 34 ? 5.49184 22.89014 31.85785 0.353 11.94446 H ? A ? 35 HB2 1
   ATOM 1048 HB3 B LYS A 34 ? 4.91977 21.44950 31.50752 0.353 11.94446 H ? A ? 35 HB3 1
   ATOM 1049 HG2 B LYS A 34 ? 6.78648 20.42647 32.28074 0.353 17.38676 H ? A ? 35 HG2 1
   ATOM 1050 HG3 B LYS A 34 ? 7.58796 21.79734 32.34215 0.353 17.38676 H ? A ? 35 HG3 1
   ATOM 1051 HD2 B LYS A 34 ? 6.99525 21.12897 34.50581 0.353 18.61351 H ? A ? 35 HD2 1
   ATOM 1052 HD3 B LYS A 34 ? 6.25713 22.49045 34.14948 0.353 18.61351 H ? A ? 35 HD3 1
   ATOM 1053 HE2 B LYS A 34 ? 4.76815 21.04125 35.20023 0.353 21.97289 H ? A ? 35 HE2 1
   ATOM 1054 HE3 B LYS A 34 ? 4.29051 21.29806 33.70647 0.353 21.97289 H ? A ? 35 HE3 1
   ATOM 1055 HZ1 B LYS A 34 ? 4.16620 19.10165 34.08709 0.353 21.39217 H ? A ? 35 HZ1 1
   ATOM 1056 HZ2 B LYS A 34 ? 5.28718 19.26851 33.18494 0.353 21.39217 H ? A ? 35 HZ2 1
   ATOM 1057 HZ3 B LYS A 34 ? 5.52115 19.02455 34.59351 0.353 21.39217 H ? A ? 35 HZ3 1
   ATOM 1058 N A LYS A 35 ? 7.19853 20.36854 29.10072 0.647 8.33683 N ? A ? 36 N 1
   ATOM 1059 CA A LYS A 35 ? 7.37704 19.23035 28.21077 0.647 6.47825 C ? A ? 36 CA 1
   ATOM 1060 C A LYS A 35 ? 7.20943 17.94226 28.99010 0.647 6.27088 C ? A ? 36 C 1
   ATOM 1061 O A LYS A 35 ? 7.69603 17.81501 30.12714 0.647 7.81672 O ? A ? 36 O 1
   ATOM 1062 CB A LYS A 35 ? 8.78790 19.27031 27.62360 0.647 9.08340 C ? A ? 36 CB 1
   ATOM 1063 CG A LYS A 35 ? 9.22542 18.11314 26.71940 0.647 13.33851 C ? A ? 36 CG 1
   ATOM 1064 CD A LYS A 35 ? 10.63687 18.34837 26.14209 0.647 16.44727 C ? A ? 36 CD 1
   ATOM 1065 CE A LYS A 35 ? 10.86771 19.81054 25.71190 0.647 24.37930 C ? A ? 36 CE 1
   ATOM 1066 NZ A LYS A 35 ? 12.02872 20.18350 24.82812 0.647 31.93571 N ? A ? 36 NZ 1
   ATOM 1067 H A LYS A 35 ? 7.93802 20.72358 29.35898 0.647 10.00419 H ? A ? 36 H 1
   ATOM 1068 HA A LYS A 35 ? 6.72440 19.25712 27.49366 0.647 7.77390 H ? A ? 36 HA 1
   ATOM 1069 HB2 A LYS A 35 ? 8.86452 20.07992 27.09487 0.647 10.90008 H ? A ? 36 HB2 1
   ATOM 1070 HB3 A LYS A 35 ? 9.41465 19.29668 28.36345 0.647 10.90008 H ? A ? 36 HB3 1
   ATOM 1071 HG2 A LYS A 35 ? 9.23977 17.29105 27.23406 0.647 16.00621 H ? A ? 36 HG2 1
   ATOM 1072 HG3 A LYS A 35 ? 8.60343 18.03062 25.97965 0.647 16.00621 H ? A ? 36 HG3 1
   ATOM 1073 HD2 A LYS A 35 ? 11.29644 18.12710 26.81804 0.647 19.73673 H ? A ? 36 HD2 1
   ATOM 1074 HD3 A LYS A 35 ? 10.75837 17.78387 25.36268 0.647 19.73673 H ? A ? 36 HD3 1
   ATOM 1075 HE2 A LYS A 35 ? 10.07178 20.09617 25.23671 0.647 29.25517 H ? A ? 36 HE2 1
   ATOM 1076 HE3 A LYS A 35 ? 10.97502 20.33195 26.52278 0.647 29.25517 H ? A ? 36 HE3 1
   ATOM 1077 HZ1 A LYS A 35 ? 11.92364 21.01223 24.52110 0.647 38.32286 H ? A ? 36 HZ1 1
   ATOM 1078 HZ2 A LYS A 35 ? 12.78857 20.14059 25.28951 0.647 38.32286 H ? A ? 36 HZ2 1
   ATOM 1079 HZ3 A LYS A 35 ? 12.07793 19.62383 24.13787 0.647 38.32286 H ? A ? 36 HZ3 1
   ATOM 1080 N B LYS A 35 ? 7.36006 20.38286 28.91547 0.353 8.65086 N ? A ? 36 N 1
   ATOM 1081 CA B LYS A 35 ? 7.46117 19.21885 28.04930 0.353 7.09546 C ? A ? 36 CA 1
   ATOM 1082 C B LYS A 35 ? 7.40163 17.91315 28.83635 0.353 6.32586 C ? A ? 36 C 1
   ATOM 1083 O B LYS A 35 ? 8.12533 17.74780 29.83474 0.353 5.44362 O ? A ? 36 O 1
   ATOM 1084 CB B LYS A 35 ? 8.77235 19.27229 27.27889 0.353 10.01237 C ? A ? 36 CB 1
   ATOM 1085 CG B LYS A 35 ? 9.00992 18.05524 26.41672 0.353 14.40468 C ? A ? 36 CG 1
   ATOM 1086 CD B LYS A 35 ? 10.36446 18.09210 25.74786 0.353 13.26130 C ? A ? 36 CD 1
   ATOM 1087 CE B LYS A 35 ? 10.48802 19.27503 24.79736 0.353 16.93322 C ? A ? 36 CE 1
   ATOM 1088 NZ B LYS A 35 ? 9.45149 19.32558 23.72364 0.353 17.84669 N ? A ? 36 NZ 1
   ATOM 1089 H B LYS A 35 ? 8.11655 20.73848 29.11760 0.353 10.38103 H ? A ? 36 H 1
   ATOM 1090 HA B LYS A 35 ? 6.70792 19.22844 27.43822 0.353 8.51456 H ? A ? 36 HA 1
   ATOM 1091 HB2 B LYS A 35 ? 8.76415 20.05051 26.69991 0.353 12.01485 H ? A ? 36 HB2 1
   ATOM 1092 HB3 B LYS A 35 ? 9.50500 19.33699 27.91129 0.353 12.01485 H ? A ? 36 HB3 1
   ATOM 1093 HG2 B LYS A 35 ? 8.96639 17.25899 26.96899 0.353 17.28561 H ? A ? 36 HG2 1
   ATOM 1094 HG3 B LYS A 35 ? 8.33134 18.01650 25.72468 0.353 17.28561 H ? A ? 36 HG3 1
   ATOM 1095 HD2 B LYS A 35 ? 11.05459 18.17207 26.42477 0.353 15.91356 H ? A ? 36 HD2 1
   ATOM 1096 HD3 B LYS A 35 ? 10.49285 17.27704 25.23785 0.353 15.91356 H ? A ? 36 HD3 1
   ATOM 1097 HE2 B LYS A 35 ? 10.41393 20.09370 25.31232 0.353 20.31986 H ? A ? 36 HE2 1
   ATOM 1098 HE3 B LYS A 35 ? 11.35465 19.23318 24.36366 0.353 20.31986 H ? A ? 36 HE3 1
   ATOM 1099 N . PHE A 36 ? 6.53929 16.98595 28.37178 1.000 6.35777 N ? A ? 37 N 1
   ATOM 1100 CA . PHE A 36 ? 6.45846 15.65838 28.94053 1.000 7.03597 C ? A ? 37 CA 1
   ATOM 1101 C . PHE A 36 ? 7.04461 14.56640 28.03809 1.000 7.02741 C ? A ? 37 C 1
   ATOM 1102 O . PHE A 36 ? 7.28854 13.47042 28.55252 1.000 8.05376 O ? A ? 37 O 1
   ATOM 1103 CB . PHE A 36 ? 5.01891 15.31091 29.37975 1.000 8.63876 C ? A ? 37 CB 1
   ATOM 1104 CG . PHE A 36 ? 3.99268 15.34674 28.27551 1.000 7.37777 C ? A ? 37 CG 1
   ATOM 1105 CD1 . PHE A 36 ? 3.87343 14.33175 27.35672 1.000 8.23928 C ? A ? 37 CD1 1
   ATOM 1106 CD2 . PHE A 36 ? 3.14410 16.44116 28.13509 1.000 7.68895 C ? A ? 37 CD2 1
   ATOM 1107 CE1 . PHE A 36 ? 2.94110 14.40363 26.33988 1.000 9.05459 C ? A ? 37 CE1 1
   ATOM 1108 CE2 . PHE A 36 ? 2.20020 16.50388 27.13281 1.000 8.95707 C ? A ? 37 CE2 1
   ATOM 1109 CZ . PHE A 36 ? 2.11762 15.47662 26.21931 1.000 8.75807 C ? A ? 37 CZ 1
   ATOM 1110 HA . PHE A 36 ? 6.97870 15.64638 29.75913 1.000 8.44316 H ? A ? 37 HA 1
   ATOM 1111 HB2 . PHE A 36 ? 5.01811 14.41398 29.74912 1.000 10.36651 H ? A ? 37 HB2 1
   ATOM 1112 HB3 . PHE A 36 ? 4.74139 15.94846 30.05608 1.000 10.36651 H ? A ? 37 HB3 1
   ATOM 1113 HD1 . PHE A 36 ? 4.42722 13.58731 27.42029 1.000 9.88714 H ? A ? 37 HD1 1
   ATOM 1114 HD2 . PHE A 36 ? 3.21603 17.14918 28.73378 1.000 9.22674 H ? A ? 37 HD2 1
   ATOM 1115 HE1 . PHE A 36 ? 2.87640 13.70609 25.72820 1.000 10.86551 H ? A ? 37 HE1 1
   ATOM 1116 HE2 . PHE A 36 ? 1.62502 17.23231 27.07398 1.000 10.74848 H ? A ? 37 HE2 1
   ATOM 1117 HZ . PHE A 36 ? 1.50148 15.51752 25.52389 1.000 10.50969 H ? A ? 37 HZ 1
   ATOM 1118 H A PHE A 36 ? 6.12509 17.08308 27.62439 0.647 7.62932 H ? A ? 37 H 1
   ATOM 1119 H B PHE A 36 ? 5.99258 17.11913 27.72142 0.353 7.62932 H ? A ? 37 H 1
   ATOM 1120 N A ASP A 37 ? 7.28630 14.84340 26.75647 0.407 6.29646 N ? A ? 38 N 1
   ATOM 1121 CA A ASP A 37 ? 7.85204 13.81855 25.87217 0.407 6.39222 C ? A ? 38 CA 1
   ATOM 1122 C A ASP A 37 ? 8.28624 14.46879 24.56313 0.407 6.70622 C ? A ? 38 C 1
   ATOM 1123 O A ASP A 37 ? 7.68651 15.43825 24.11708 0.407 6.39950 O ? A ? 38 O 1
   ATOM 1124 CB A ASP A 37 ? 6.78907 12.76410 25.56209 0.407 7.25479 C ? A ? 38 CB 1
   ATOM 1125 CG A ASP A 37 ? 7.34444 11.52614 24.90365 0.407 7.92269 C ? A ? 38 CG 1
   ATOM 1126 OD1 A ASP A 37 ? 8.56314 11.27434 24.97428 0.407 7.89785 O ? A ? 38 OD1 1
   ATOM 1127 OD2 A ASP A 37 ? 6.53671 10.79405 24.30946 0.407 8.64018 O ? A ? 38 OD2 1
   ATOM 1128 H A ASP A 37 ? 7.13493 15.60198 26.38065 0.407 7.55575 H ? A ? 38 H 1
   ATOM 1129 HA A ASP A 37 ? 8.62835 13.41527 26.29123 0.407 7.67067 H ? A ? 38 HA 1
   ATOM 1130 HB2 A ASP A 37 ? 6.36437 12.49412 26.39132 0.407 8.70575 H ? A ? 38 HB2 1
   ATOM 1131 HB3 A ASP A 37 ? 6.13112 13.14943 24.96249 0.407 8.70575 H ? A ? 38 HB3 1
   ATOM 1132 N B ASP A 37 ? 7.29018 14.84311 26.75959 0.593 6.29713 N ? A ? 38 N 1
   ATOM 1133 CA B ASP A 37 ? 7.82869 13.80519 25.87360 0.593 6.33608 C ? A ? 38 CA 1
   ATOM 1134 C B ASP A 37 ? 8.29634 14.48893 24.58500 0.593 6.72600 C ? A ? 38 C 1
   ATOM 1135 O B ASP A 37 ? 7.90225 15.61920 24.27564 0.593 7.45838 O ? A ? 38 O 1
   ATOM 1136 CB B ASP A 37 ? 6.75163 12.75402 25.56384 0.593 7.34606 C ? A ? 38 CB 1
   ATOM 1137 CG B ASP A 37 ? 7.22898 11.57269 24.73845 0.593 7.69630 C ? A ? 38 CG 1
   ATOM 1138 OD1 B ASP A 37 ? 8.44933 11.32191 24.61519 0.593 9.52791 O ? A ? 38 OD1 1
   ATOM 1139 OD2 B ASP A 37 ? 6.31051 10.88317 24.23420 0.593 8.39017 O ? A ? 38 OD2 1
   ATOM 1140 H B ASP A 37 ? 7.15732 15.60655 26.38663 0.593 7.55656 H ? A ? 38 H 1
   ATOM 1141 HA B ASP A 37 ? 8.59010 13.36576 26.28355 0.593 7.60330 H ? A ? 38 HA 1
   ATOM 1142 HB2 B ASP A 37 ? 6.41262 12.40440 26.40273 0.593 8.81527 H ? A ? 38 HB2 1
   ATOM 1143 HB3 B ASP A 37 ? 6.03571 13.18337 25.06986 0.593 8.81527 H ? A ? 38 HB3 1
   ATOM 1144 N A SER A 38 ? 9.30255 13.89634 23.92697 0.407 6.80609 N ? A ? 39 N 1
   ATOM 1145 CA A SER A 38 ? 9.81651 14.45980 22.68057 0.407 7.41796 C ? A ? 39 CA 1
   ATOM 1146 C A SER A 38 ? 10.51350 13.38593 21.85806 0.407 7.81805 C ? A ? 39 C 1
   ATOM 1147 O A SER A 38 ? 11.51511 12.83405 22.31580 0.407 7.60066 O ? A ? 39 O 1
   ATOM 1148 CB A SER A 38 ? 10.82319 15.53301 23.03056 0.407 10.04316 C ? A ? 39 CB 1
   ATOM 1149 OG A SER A 38 ? 11.62281 15.77738 21.89516 0.407 12.23069 O ? A ? 39 OG 1
   ATOM 1150 H A SER A 38 ? 9.70934 13.18689 24.19305 0.407 8.16731 H ? A ? 39 H 1
   ATOM 1151 HA A SER A 38 ? 9.07780 14.80286 22.15377 0.407 8.90156 H ? A ? 39 HA 1
   ATOM 1152 HB2 A SER A 38 ? 10.35823 16.34610 23.28274 0.407 12.05179 H ? A ? 39 HB2 1
   ATOM 1153 HB3 A SER A 38 ? 11.38172 15.22938 23.76320 0.407 12.05179 H ? A ? 39 HB3 1
   ATOM 1154 HG A SER A 38 ? 12.16949 16.39447 22.05620 0.407 14.67683 H ? A ? 39 HG 1
   ATOM 1155 N B SER A 38 ? 9.15022 13.78242 23.85056 0.593 7.15600 N ? A ? 39 N 1
   ATOM 1156 CA B SER A 38 ? 9.58758 14.24586 22.54429 0.593 6.31114 C ? A ? 39 CA 1
   ATOM 1157 C B SER A 38 ? 10.28659 13.11748 21.79735 0.593 5.63481 C ? A ? 39 C 1
   ATOM 1158 O B SER A 38 ? 11.14939 12.42039 22.36790 0.593 7.56431 O ? A ? 39 O 1
   ATOM 1159 CB B SER A 38 ? 10.55183 15.42136 22.66242 0.593 8.13875 C ? A ? 39 CB 1
   ATOM 1160 OG B SER A 38 ? 10.97502 15.92620 21.39820 0.593 8.91465 O ? A ? 39 OG 1
   ATOM 1161 H B SER A 38 ? 9.49017 13.02952 24.08964 0.593 8.58721 H ? A ? 39 H 1
   ATOM 1162 HA B SER A 38 ? 8.80209 14.51410 22.04233 0.593 7.57337 H ? A ? 39 HA 1
   ATOM 1163 HB2 B SER A 38 ? 10.10697 16.13578 23.14470 0.593 9.76650 H ? A ? 39 HB2 1
   ATOM 1164 HB3 B SER A 38 ? 11.33520 15.12742 23.15317 0.593 9.76650 H ? A ? 39 HB3 1
   ATOM 1165 HG B SER A 38 ? 10.30926 16.17663 20.95138 0.593 10.69758 H ? A ? 39 HG 1
   ATOM 1166 N A SER A 39 ? 10.03654 13.13608 20.62965 0.407 7.36233 N ? A ? 40 N 1
   ATOM 1167 CA A SER A 39 ? 10.76018 12.23399 19.74219 0.407 6.68461 C ? A ? 40 CA 1
   ATOM 1168 C A SER A 39 ? 12.01209 12.88259 19.18527 0.407 8.38392 C ? A ? 40 C 1
   ATOM 1169 O A SER A 39 ? 12.93278 12.18202 18.71524 0.407 6.19943 O ? A ? 40 O 1
   ATOM 1170 CB A SER A 39 ? 9.86372 11.76157 18.58317 0.407 8.98264 C ? A ? 40 CB 1
   ATOM 1171 OG A SER A 39 ? 9.51273 12.78175 17.65449 0.407 6.81978 O ? A ? 40 OG 1
   ATOM 1172 H A SER A 39 ? 9.31547 13.47003 20.30081 0.407 8.83479 H ? A ? 40 H 1
   ATOM 1173 HA A SER A 39 ? 11.01386 11.44640 20.24840 0.407 8.02153 H ? A ? 40 HA 1
   ATOM 1174 HB2 A SER A 39 ? 10.33703 11.06557 18.10102 0.407 10.77917 H ? A ? 40 HB2 1
   ATOM 1175 HB3 A SER A 39 ? 9.04511 11.40482 18.96198 0.407 10.77917 H ? A ? 40 HB3 1
   ATOM 1176 HG A SER A 39 ? 9.77777 13.52823 17.93398 0.407 8.18374 H ? A ? 40 HG 1
   ATOM 1177 N B SER A 39 ? 9.93941 12.96767 20.51921 0.593 6.77943 N ? A ? 40 N 1
   ATOM 1178 CA B SER A 39 ? 10.73225 12.11177 19.66599 0.593 7.42632 C ? A ? 40 CA 1
   ATOM 1179 C B SER A 39 ? 12.06165 12.76310 19.31928 0.593 8.48756 C ? A ? 40 C 1
   ATOM 1180 O B SER A 39 ? 13.06264 12.05892 19.09284 0.593 10.39114 O ? A ? 40 O 1
   ATOM 1181 CB B SER A 39 ? 9.99101 11.83976 18.34531 0.593 7.08620 C ? A ? 40 CB 1
   ATOM 1182 OG B SER A 39 ? 9.74585 13.05076 17.66978 0.593 8.35985 O ? A ? 40 OG 1
   ATOM 1183 H B SER A 39 ? 9.26601 13.34362 20.13870 0.593 8.13532 H ? A ? 40 H 1
   ATOM 1184 HA B SER A 39 ? 10.87982 11.27545 20.13470 0.593 8.91159 H ? A ? 40 HA 1
   ATOM 1185 HB2 B SER A 39 ? 10.53789 11.26724 17.78493 0.593 8.50344 H ? A ? 40 HB2 1
   ATOM 1186 HB3 B SER A 39 ? 9.14536 11.40544 18.53803 0.593 8.50344 H ? A ? 40 HB3 1
   ATOM 1187 HG B SER A 39 ? 10.43752 13.52738 17.67431 0.593 10.03182 H ? A ? 40 HG 1
   ATOM 1188 N A ARG A 40 ? 12.05935 14.21088 19.22456 0.407 9.33863 N ? A ? 41 N 1
   ATOM 1189 CA A ARG A 40 ? 13.26133 14.90943 18.81862 0.407 11.26084 C ? A ? 41 CA 1
   ATOM 1190 C A ARG A 40 ? 14.40114 14.57704 19.76460 0.407 11.71180 C ? A ? 41 C 1
   ATOM 1191 O A ARG A 40 ? 15.56789 14.55156 19.34959 0.407 13.30530 O ? A ? 41 O 1
   ATOM 1192 CB A ARG A 40 ? 12.98287 16.40696 18.77636 0.407 11.03397 C ? A ? 41 CB 1
   ATOM 1193 CG A ARG A 40 ? 11.94194 16.82026 17.73289 0.407 12.44527 C ? A ? 41 CG 1
   ATOM 1194 CD A ARG A 40 ? 11.73331 18.33931 17.74153 0.407 14.50049 C ? A ? 41 CD 1
   ATOM 1195 NE A ARG A 40 ? 10.83999 18.81897 16.69031 0.407 14.28249 N ? A ? 41 NE 1
   ATOM 1196 CZ A ARG A 40 ? 9.56263 19.14580 16.85877 0.407 13.31387 C ? A ? 41 CZ 1
   ATOM 1197 NH1 A ARG A 40 ? 8.96452 19.05167 18.03910 0.407 13.80786 N ? A ? 41 NH1 1
   ATOM 1198 NH2 A ARG A 40 ? 8.86440 19.58012 15.81329 0.407 15.10875 N ? A ? 41 NH2 1
   ATOM 1199 H A ARG A 40 ? 11.41533 14.72056 19.47961 0.407 11.20636 H ? A ? 41 H 1
   ATOM 1200 HA A ARG A 40 ? 13.52925 14.64369 17.92503 0.407 13.51301 H ? A ? 41 HA 1
   ATOM 1201 HB2 A ARG A 40 ? 12.65570 16.68652 19.64568 0.407 13.24076 H ? A ? 41 HB2 1
   ATOM 1202 HB3 A ARG A 40 ? 13.80905 16.87056 18.56803 0.407 13.24076 H ? A ? 41 HB3 1
   ATOM 1203 HG2 A ARG A 40 ? 12.24596 16.55662 16.85030 0.407 14.93433 H ? A ? 41 HG2 1
   ATOM 1204 HG3 A ARG A 40 ? 11.09486 16.39236 17.93354 0.407 14.93433 H ? A ? 41 HG3 1
   ATOM 1205 HD2 A ARG A 40 ? 11.35007 18.59679 18.59460 0.407 17.40058 H ? A ? 41 HD2 1
   ATOM 1206 HD3 A ARG A 40 ? 12.59233 18.77295 17.61932 0.407 17.40058 H ? A ? 41 HD3 1
   ATOM 1207 HE A ARG A 40 ? 11.16675 18.89616 15.89856 0.407 17.13899 H ? A ? 41 HE 1
   ATOM 1208 HH11 A ARG A 40 ? 9.40468 18.77251 18.72316 0.407 16.56943 H ? A ? 41 HH11 1
   ATOM 1209 HH12 A ARG A 40 ? 8.13661 19.26979 18.12025 0.407 16.56943 H ? A ? 41 HH12 1
   ATOM 1210 HH21 A ARG A 40 ? 9.24026 19.64602 15.04258 0.407 18.13050 H ? A ? 41 HH21 1
   ATOM 1211 HH22 A ARG A 40 ? 8.03709 19.79503 15.90802 0.407 18.13050 H ? A ? 41 HH22 1
   ATOM 1212 N B ARG A 40 ? 12.07590 14.10061 19.22865 0.593 9.59113 N ? A ? 41 N 1
   ATOM 1213 CA B ARG A 40 ? 13.27408 14.82291 18.81739 0.593 11.01842 C ? A ? 41 CA 1
   ATOM 1214 C B ARG A 40 ? 14.42506 14.50784 19.76189 0.593 11.43888 C ? A ? 41 C 1
   ATOM 1215 O B ARG A 40 ? 15.57407 14.32592 19.33071 0.593 12.67023 O ? A ? 41 O 1
   ATOM 1216 CB B ARG A 40 ? 12.99801 16.32691 18.76540 0.593 10.68494 C ? A ? 41 CB 1
   ATOM 1217 CG B ARG A 40 ? 11.95431 16.74595 17.71541 0.593 11.94557 C ? A ? 41 CG 1
   ATOM 1218 CD B ARG A 40 ? 11.68430 18.26081 17.70477 0.593 13.81620 C ? A ? 41 CD 1
   ATOM 1219 NE B ARG A 40 ? 10.78492 18.68252 16.63243 0.593 13.81780 N ? A ? 41 NE 1
   ATOM 1220 CZ B ARG A 40 ? 9.47786 18.89666 16.75864 0.593 12.65476 C ? A ? 41 CZ 1
   ATOM 1221 NH1 B ARG A 40 ? 8.84702 18.72137 17.91093 0.593 10.13821 N ? A ? 41 NH1 1
   ATOM 1222 NH2 B ARG A 40 ? 8.78258 19.30324 15.69692 0.593 15.54734 N ? A ? 41 NH2 1
   ATOM 1223 H B ARG A 40 ? 11.40332 14.60822 19.40061 0.593 11.50935 H ? A ? 41 H 1
   ATOM 1224 HA B ARG A 40 ? 13.52683 14.54950 17.92170 0.593 13.22211 H ? A ? 41 HA 1
   ATOM 1225 HB2 B ARG A 40 ? 12.67159 16.61159 19.63333 0.593 12.82193 H ? A ? 41 HB2 1
   ATOM 1226 HB3 B ARG A 40 ? 13.82614 16.78626 18.55541 0.593 12.82193 H ? A ? 41 HB3 1
   ATOM 1227 HG2 B ARG A 40 ? 12.27401 16.49385 16.83499 0.593 14.33468 H ? A ? 41 HG2 1
   ATOM 1228 HG3 B ARG A 40 ? 11.11684 16.29511 17.90591 0.593 14.33468 H ? A ? 41 HG3 1
   ATOM 1229 HD2 B ARG A 40 ? 11.27881 18.51325 18.54902 0.593 16.57944 H ? A ? 41 HD2 1
   ATOM 1230 HD3 B ARG A 40 ? 12.52587 18.72878 17.58786 0.593 16.57944 H ? A ? 41 HD3 1
   ATOM 1231 HE B ARG A 40 ? 11.12993 18.80240 15.85384 0.593 16.58136 H ? A ? 41 HE 1
   ATOM 1232 HH11 B ARG A 40 ? 9.28353 18.46190 18.60500 0.593 12.16585 H ? A ? 41 HH11 1
   ATOM 1233 HH12 B ARG A 40 ? 8.00116 18.86710 17.96458 0.593 12.16585 H ? A ? 41 HH12 1
   ATOM 1234 HH21 B ARG A 40 ? 9.17934 19.42365 14.94347 0.593 18.65680 H ? A ? 41 HH21 1
   ATOM 1235 HH22 B ARG A 40 ? 7.93713 19.44521 15.76521 0.593 18.65680 H ? A ? 41 HH22 1
   ATOM 1236 N A ASP A 41 ? 14.08237 14.29550 21.03384 0.407 11.77788 N ? A ? 42 N 1
   ATOM 1237 CA A ASP A 41 ? 15.11035 13.99023 22.02667 0.407 13.03763 C ? A ? 42 CA 1
   ATOM 1238 C A ASP A 41 ? 15.66375 12.58274 21.83574 0.407 15.55775 C ? A ? 42 C 1
   ATOM 1239 O A ASP A 41 ? 16.87872 12.36216 21.93992 0.407 19.19648 O ? A ? 42 O 1
   ATOM 1240 CB A ASP A 41 ? 14.54430 14.14980 23.43972 0.407 15.40357 C ? A ? 42 CB 1
   ATOM 1241 CG A ASP A 41 ? 14.39700 15.59850 23.84274 0.407 19.23076 C ? A ? 42 CG 1
   ATOM 1242 OD1 A ASP A 41 ? 15.07895 16.44464 23.23327 0.407 21.07852 O ? A ? 42 OD1 1
   ATOM 1243 OD2 A ASP A 41 ? 13.60308 15.89104 24.76346 0.407 20.71465 O ? A ? 42 OD2 1
   ATOM 1244 H A ASP A 41 ? 13.27987 14.27534 21.34236 0.407 14.13345 H ? A ? 42 H 1
   ATOM 1245 HA A ASP A 41 ? 15.83896 14.62112 21.91712 0.407 15.64515 H ? A ? 42 HA 1
   ATOM 1246 HB2 A ASP A 41 ? 13.66801 13.73571 23.47901 0.407 18.48428 H ? A ? 42 HB2 1
   ATOM 1247 HB3 A ASP A 41 ? 15.14256 13.72085 24.07137 0.407 18.48428 H ? A ? 42 HB3 1
   ATOM 1248 N B ASP A 41 ? 14.12301 14.42254 21.06256 0.593 10.20589 N ? A ? 42 N 1
   ATOM 1249 CA B ASP A 41 ? 15.13034 14.08887 22.06352 0.593 12.47497 C ? A ? 42 CA 1
   ATOM 1250 C B ASP A 41 ? 15.65870 12.67429 21.90001 0.593 14.86337 C ? A ? 42 C 1
   ATOM 1251 O B ASP A 41 ? 16.70630 12.34702 22.47835 0.593 18.32907 O ? A ? 42 O 1
   ATOM 1252 CB B ASP A 41 ? 14.54150 14.26485 23.46882 0.593 14.86749 C ? A ? 42 CB 1
   ATOM 1253 CG B ASP A 41 ? 14.28193 15.71614 23.81547 0.593 19.07866 C ? A ? 42 CG 1
   ATOM 1254 OD1 B ASP A 41 ? 14.90046 16.58806 23.17905 0.593 21.39597 O ? A ? 42 OD1 1
   ATOM 1255 OD2 B ASP A 41 ? 13.46614 15.98080 24.72753 0.593 20.68729 O ? A ? 42 OD2 1
   ATOM 1256 H B ASP A 41 ? 13.33834 14.55438 21.38893 0.593 12.24707 H ? A ? 42 H 1
   ATOM 1257 HA B ASP A 41 ? 15.87938 14.69771 21.96788 0.593 14.96996 H ? A ? 42 HA 1
   ATOM 1258 HB2 B ASP A 41 ? 13.69822 13.78830 23.52051 0.593 17.84099 H ? A ? 42 HB2 1
   ATOM 1259 HB3 B ASP A 41 ? 15.16505 13.90740 24.12021 0.593 17.84099 H ? A ? 42 HB3 1
   ATOM 1260 N A ARG A 42 ? 14.78014 11.60644 21.58304 0.407 14.88263 N ? A ? 43 N 1
   ATOM 1261 CA A ARG A 42 ? 15.21574 10.23266 21.33740 0.407 13.97468 C ? A ? 43 CA 1
   ATOM 1262 C A ARG A 42 ? 15.98577 10.08576 20.03296 0.407 10.20287 C ? A ? 43 C 1
   ATOM 1263 O A ARG A 42 ? 16.51719 8.99468 19.77323 0.407 14.07410 O ? A ? 43 O 1
   ATOM 1264 CB A ARG A 42 ? 14.02373 9.26570 21.27309 0.407 13.57790 C ? A ? 43 CB 1
   ATOM 1265 CG A ARG A 42 ? 13.32226 9.02348 22.60026 0.407 13.93087 C ? A ? 43 CG 1
   ATOM 1266 CD A ARG A 42 ? 12.22419 7.94785 22.53414 0.407 13.28219 C ? A ? 43 CD 1
   ATOM 1267 NE A ARG A 42 ? 11.10439 8.34950 21.68510 0.407 12.37156 N ? A ? 43 NE 1
   ATOM 1268 CZ A ARG A 42 ? 10.03151 9.01077 22.09722 0.407 8.29378 C ? A ? 43 CZ 1
   ATOM 1269 NH1 A ARG A 42 ? 9.85713 9.32019 23.37681 0.407 11.43781 N ? A ? 43 NH1 1
   ATOM 1270 NH2 A ARG A 42 ? 9.12426 9.38977 21.20130 0.407 10.80923 N ? A ? 43 NH2 1
   ATOM 1271 H A ARG A 42 ? 13.92798 11.71723 21.54936 0.407 17.85916 H ? A ? 43 H 1
   ATOM 1272 HA A ARG A 42 ? 15.77839 9.98010 22.08609 0.407 16.76961 H ? A ? 43 HA 1
   ATOM 1273 HB2 A ARG A 42 ? 13.36672 9.62845 20.65855 0.407 16.29348 H ? A ? 43 HB2 1
   ATOM 1274 HB3 A ARG A 42 ? 14.34125 8.40767 20.95082 0.407 16.29348 H ? A ? 43 HB3 1
   ATOM 1275 HG2 A ARG A 42 ? 13.97923 8.73491 23.25297 0.407 16.71705 H ? A ? 43 HG2 1
   ATOM 1276 HG3 A ARG A 42 ? 12.90772 9.85106 22.89035 0.407 16.71705 H ? A ? 43 HG3 1
   ATOM 1277 HD2 A ARG A 42 ? 12.60059 7.13112 22.17057 0.407 15.93863 H ? A ? 43 HD2 1
   ATOM 1278 HD3 A ARG A 42 ? 11.88266 7.78674 23.42762 0.407 15.93863 H ? A ? 43 HD3 1
   ATOM 1279 HE A ARG A 42 ? 11.14453 8.14030 20.85190 0.407 14.84587 H ? A ? 43 HE 1
   ATOM 1280 HH11 A ARG A 42 ? 10.44731 9.09112 23.95889 0.407 13.72537 H ? A ? 43 HH11 1
   ATOM 1281 HH12 A ARG A 42 ? 9.15402 9.74964 23.62340 0.407 13.72537 H ? A ? 43 HH12 1
   ATOM 1282 HH21 A ARG A 42 ? 9.23849 9.20522 20.36913 0.407 12.97108 H ? A ? 43 HH21 1
   ATOM 1283 HH22 A ARG A 42 ? 8.42348 9.81934 21.45423 0.407 12.97108 H ? A ? 43 HH22 1
   ATOM 1284 N B ARG A 42 ? 14.95866 11.81639 21.14812 0.593 9.01767 N ? A ? 43 N 1
   ATOM 1285 CA B ARG A 42 ? 15.43994 10.47663 20.82424 0.593 10.98765 C ? A ? 43 CA 1
   ATOM 1286 C B ARG A 42 ? 16.07700 10.41702 19.44672 0.593 7.75378 C ? A ? 43 C 1
   ATOM 1287 O B ARG A 42 ? 16.56321 9.35413 19.02640 0.593 9.84668 O ? A ? 43 O 1
   ATOM 1288 CB B ARG A 42 ? 14.28706 9.46416 20.92088 0.593 11.95619 C ? A ? 43 CB 1
   ATOM 1289 CG B ARG A 42 ? 13.67459 9.32999 22.32342 0.593 11.17251 C ? A ? 43 CG 1
   ATOM 1290 CD B ARG A 42 ? 12.58863 8.24319 22.41023 0.593 8.51223 C ? A ? 43 CD 1
   ATOM 1291 NE B ARG A 42 ? 11.38353 8.56413 21.63103 0.593 13.58183 N ? A ? 43 NE 1
   ATOM 1292 CZ B ARG A 42 ? 10.27678 9.13677 22.09017 0.593 8.78824 C ? A ? 43 CZ 1
   ATOM 1293 NH1 B ARG A 42 ? 10.15800 9.50819 23.36297 0.593 11.37930 N ? A ? 43 NH1 1
   ATOM 1294 NH2 B ARG A 42 ? 9.27443 9.36494 21.24827 0.593 10.72896 N ? A ? 43 NH2 1
   ATOM 1295 H B ARG A 42 ? 14.18837 11.99479 20.80985 0.593 10.82121 H ? A ? 43 H 1
   ATOM 1296 HA B ARG A 42 ? 16.10943 10.21045 21.47373 0.593 13.18518 H ? A ? 43 HA 1
   ATOM 1297 HB2 B ARG A 42 ? 13.58016 9.74214 20.31762 0.593 14.34743 H ? A ? 43 HB2 1
   ATOM 1298 HB3 B ARG A 42 ? 14.62011 8.59080 20.66162 0.593 14.34743 H ? A ? 43 HB3 1
   ATOM 1299 HG2 B ARG A 42 ? 14.37627 9.10032 22.95254 0.593 13.40701 H ? A ? 43 HG2 1
   ATOM 1300 HG3 B ARG A 42 ? 13.26973 10.17563 22.57219 0.593 13.40701 H ? A ? 43 HG3 1
   ATOM 1301 HD2 B ARG A 42 ? 12.94992 7.40971 22.07012 0.593 10.21467 H ? A ? 43 HD2 1
   ATOM 1302 HD3 B ARG A 42 ? 12.32407 8.13630 23.33732 0.593 10.21467 H ? A ? 43 HD3 1
   ATOM 1303 HE B ARG A 42 ? 11.39677 8.36091 20.79549 0.593 16.29820 H ? A ? 43 HE 1
   ATOM 1304 HH11 B ARG A 42 ? 10.80803 9.37902 23.91105 0.593 13.65516 H ? A ? 43 HH11 1
   ATOM 1305 HH12 B ARG A 42 ? 9.43125 9.87730 23.63717 0.593 13.65516 H ? A ? 43 HH12 1
   ATOM 1306 HH21 B ARG A 42 ? 9.34874 9.14253 20.42086 0.593 12.87475 H ? A ? 43 HH21 1
   ATOM 1307 HH22 B ARG A 42 ? 8.55137 9.73503 21.53079 0.593 12.87475 H ? A ? 43 HH22 1
   ATOM 1308 N A ASN A 43 ? 16.03908 11.13158 19.21199 0.407 14.22865 N ? A ? 44 N 1
   ATOM 1309 CA A ASN A 43 ? 16.67561 11.11523 17.89040 0.407 15.32177 C ? A ? 44 CA 1
   ATOM 1310 C A ASN A 43 ? 16.11747 10.00755 17.00408 0.407 15.20409 C ? A ? 44 C 1
   ATOM 1311 O A ASN A 43 ? 16.85342 9.22472 16.39335 0.407 13.69830 O ? A ? 44 O 1
   ATOM 1312 CB A ASN A 43 ? 18.19776 11.04331 17.98004 0.407 15.28695 C ? A ? 44 CB 1
   ATOM 1313 CG A ASN A 43 ? 18.79534 12.26470 18.62020 0.407 13.96662 C ? A ? 44 CG 1
   ATOM 1314 OD1 A ASN A 43 ? 19.39211 12.16809 19.68696 0.407 16.79606 O ? A ? 44 OD1 1
   ATOM 1315 ND2 A ASN A 43 ? 18.63840 13.42359 17.98503 0.407 18.44720 N ? A ? 44 ND2 1
   ATOM 1316 H A ASN A 43 ? 15.69933 11.89808 19.40340 0.407 17.07439 H ? A ? 44 H 1
   ATOM 1317 HA A ASN A 43 ? 16.45697 11.95886 17.46451 0.407 18.38612 H ? A ? 44 HA 1
   ATOM 1318 HB2 A ASN A 43 ? 18.44783 10.27182 18.51217 0.407 18.34434 H ? A ? 44 HB2 1
   ATOM 1319 HB3 A ASN A 43 ? 18.56446 10.96242 17.08567 0.407 18.34434 H ? A ? 44 HB3 1
   ATOM 1320 HD21 A ASN A 43 ? 18.96591 14.14504 18.31946 0.407 22.13664 H ? A ? 44 HD21 1
   ATOM 1321 HD22 A ASN A 43 ? 18.20946 13.45103 17.24014 0.407 22.13664 H ? A ? 44 HD22 1
   ATOM 1322 N B ASN A 43 ? 16.09119 11.53448 18.70975 0.593 8.99607 N ? A ? 44 N 1
   ATOM 1323 CA B ASN A 43 ? 16.66111 11.60776 17.37016 0.593 9.61965 C ? A ? 44 CA 1
   ATOM 1324 C B ASN A 43 ? 16.10756 10.50355 16.47756 0.593 10.29879 C ? A ? 44 C 1
   ATOM 1325 O B ASN A 43 ? 16.80737 9.95333 15.62753 0.593 11.70041 O ? A ? 44 O 1
   ATOM 1326 CB B ASN A 43 ? 18.18492 11.57439 17.39714 0.593 8.04623 C ? A ? 44 CB 1
   ATOM 1327 CG B ASN A 43 ? 18.76053 12.70881 18.20463 0.593 13.35625 C ? A ? 44 CG 1
   ATOM 1328 OD1 B ASN A 43 ? 19.19250 12.51622 19.34450 0.593 15.31429 O ? A ? 44 OD1 1
   ATOM 1329 ND2 B ASN A 43 ? 18.76117 13.91230 17.63402 0.593 10.80522 N ? A ? 44 ND2 1
   ATOM 1330 H B ASN A 43 ? 15.76519 12.28415 18.97680 0.593 10.79528 H ? A ? 44 H 1
   ATOM 1331 HA B ASN A 43 ? 16.39947 12.45896 16.98558 0.593 11.54358 H ? A ? 44 HA 1
   ATOM 1332 HB2 B ASN A 43 ? 18.47866 10.73980 17.79473 0.593 9.65548 H ? A ? 44 HB2 1
   ATOM 1333 HB3 B ASN A 43 ? 18.52162 11.64648 16.49032 0.593 9.65548 H ? A ? 44 HB3 1
   ATOM 1334 HD21 B ASN A 43 ? 19.07996 14.58911 18.05816 0.593 12.96627 H ? A ? 44 HD21 1
   ATOM 1335 HD22 B ASN A 43 ? 18.44279 14.01257 16.84144 0.593 12.96627 H ? A ? 44 HD22 1
   ATOM 1336 N A LYS A 44 ? 14.79473 9.96447 16.91270 0.407 14.46457 N ? A ? 45 N 1
   ATOM 1337 CA A LYS A 44 ? 14.15349 9.04231 15.98930 0.407 14.36785 C ? A ? 45 CA 1
   ATOM 1338 C A LYS A 44 ? 12.69809 9.42884 15.75694 0.407 12.05326 C ? A ? 45 C 1
   ATOM 1339 O A LYS A 44 ? 11.93511 9.59669 16.71998 0.407 12.45791 O ? A ? 45 O 1
   ATOM 1340 CB A LYS A 44 ? 14.23473 7.61690 16.51328 0.407 20.32108 C ? A ? 45 CB 1
   ATOM 1341 CG A LYS A 44 ? 13.89838 7.50054 17.97300 0.407 27.55699 C ? A ? 45 CG 1
   ATOM 1342 CD A LYS A 44 ? 13.87438 6.04002 18.40085 0.407 30.59540 C ? A ? 45 CD 1
   ATOM 1343 CE A LYS A 44 ? 12.72871 5.28926 17.72427 0.407 33.63327 C ? A ? 45 CE 1
   ATOM 1344 NZ A LYS A 44 ? 12.72315 3.82934 18.04660 0.407 34.34118 N ? A ? 45 NZ 1
   ATOM 1345 H A LYS A 44 ? 14.25429 10.45333 17.36937 0.407 17.35749 H ? A ? 45 H 1
   ATOM 1346 HA A LYS A 44 ? 14.61493 9.08996 15.13741 0.407 17.24141 H ? A ? 45 HA 1
   ATOM 1347 HB2 A LYS A 44 ? 13.60944 7.06471 16.01831 0.407 24.38530 H ? A ? 45 HB2 1
   ATOM 1348 HB3 A LYS A 44 ? 15.13867 7.28794 16.38847 0.407 24.38530 H ? A ? 45 HB3 1
   ATOM 1349 HG2 A LYS A 44 ? 14.56794 7.96545 18.49879 0.407 33.06839 H ? A ? 45 HG2 1
   ATOM 1350 HG3 A LYS A 44 ? 13.02278 7.88466 18.13632 0.407 33.06839 H ? A ? 45 HG3 1
   ATOM 1351 HD2 A LYS A 44 ? 14.70980 5.61597 18.14956 0.407 36.71448 H ? A ? 45 HD2 1
   ATOM 1352 HD3 A LYS A 44 ? 13.75110 5.98676 19.36151 0.407 36.71448 H ? A ? 45 HD3 1
   ATOM 1353 HE2 A LYS A 44 ? 11.88527 5.66495 18.02155 0.407 40.35992 H ? A ? 45 HE2 1
   ATOM 1354 HE3 A LYS A 44 ? 12.81324 5.38345 16.76256 0.407 40.35992 H ? A ? 45 HE3 1
   ATOM 1355 HZ1 A LYS A 44 ? 12.00747 3.44100 17.68730 0.407 41.20942 H ? A ? 45 HZ1 1
   ATOM 1356 HZ2 A LYS A 44 ? 13.45564 3.44287 17.72072 0.407 41.20942 H ? A ? 45 HZ2 1
   ATOM 1357 HZ3 A LYS A 44 ? 12.70294 3.71243 18.92866 0.407 41.20942 H ? A ? 45 HZ3 1
   ATOM 1358 N B LYS A 44 ? 14.85242 10.16501 16.66734 0.593 11.68899 N ? A ? 45 N 1
   ATOM 1359 CA B LYS A 44 ? 14.23657 9.13355 15.86894 0.593 14.15040 C ? A ? 45 CA 1
   ATOM 1360 C B LYS A 44 ? 12.75668 9.46024 15.72410 0.593 12.08198 C ? A ? 45 C 1
   ATOM 1361 O B LYS A 44 ? 12.04685 9.68319 16.72341 0.593 12.41367 O ? A ? 45 O 1
   ATOM 1362 CB B LYS A 44 ? 14.40798 7.73797 16.45590 0.593 20.07773 C ? A ? 45 CB 1
   ATOM 1363 CG B LYS A 44 ? 13.91782 7.57264 17.86139 0.593 27.60972 C ? A ? 45 CG 1
   ATOM 1364 CD B LYS A 44 ? 13.84745 6.08430 18.22810 0.593 31.58469 C ? A ? 45 CD 1
   ATOM 1365 CE B LYS A 44 ? 12.85248 5.33980 17.33286 0.593 35.09853 C ? A ? 45 CE 1
   ATOM 1366 NZ B LYS A 44 ? 12.73190 3.88044 17.63797 0.593 37.25316 N ? A ? 45 NZ 1
   ATOM 1367 H B LYS A 44 ? 14.33397 10.51939 17.25489 0.593 14.02679 H ? A ? 45 H 1
   ATOM 1368 HA B LYS A 44 ? 14.66928 9.11577 15.00099 0.593 16.98049 H ? A ? 45 HA 1
   ATOM 1369 HB2 B LYS A 44 ? 13.91756 7.11053 15.90209 0.593 24.09327 H ? A ? 45 HB2 1
   ATOM 1370 HB3 B LYS A 44 ? 15.35256 7.51740 16.45040 0.593 24.09327 H ? A ? 45 HB3 1
   ATOM 1371 HG2 B LYS A 44 ? 14.52732 8.01423 18.47327 0.593 33.13166 H ? A ? 45 HG2 1
   ATOM 1372 HG3 B LYS A 44 ? 13.03005 7.95464 17.94409 0.593 33.13166 H ? A ? 45 HG3 1
   ATOM 1373 HD2 B LYS A 44 ? 14.72271 5.68222 18.11343 0.593 37.90163 H ? A ? 45 HD2 1
   ATOM 1374 HD3 B LYS A 44 ? 13.55832 5.99253 19.14945 0.593 37.90163 H ? A ? 45 HD3 1
   ATOM 1375 HE2 B LYS A 44 ? 11.97482 5.73733 17.44500 0.593 42.11823 H ? A ? 45 HE2 1
   ATOM 1376 HE3 B LYS A 44 ? 13.13974 5.42475 16.41027 0.593 42.11823 H ? A ? 45 HE3 1
   ATOM 1377 HZ1 B LYS A 44 ? 11.99712 3.55008 17.25976 0.593 44.70379 H ? A ? 45 HZ1 1
   ATOM 1378 HZ2 B LYS A 44 ? 13.44042 3.44394 17.32244 0.593 44.70379 H ? A ? 45 HZ2 1
   ATOM 1379 HZ3 B LYS A 44 ? 12.68456 3.75636 18.51801 0.593 44.70379 H ? A ? 45 HZ3 1
   ATOM 1380 N A PRO A 45 ? 12.29071 9.56613 14.49433 0.407 10.03859 N ? A ? 46 N 1
   ATOM 1381 CA A PRO A 45 ? 10.90847 9.93958 14.20273 0.407 8.94090 C ? A ? 46 CA 1
   ATOM 1382 C A PRO A 45 ? 9.91615 8.85925 14.60834 0.407 7.37888 C ? A ? 46 C 1
   ATOM 1383 O A PRO A 45 ? 10.22680 7.66419 14.62895 0.407 8.25311 O ? A ? 46 O 1
   ATOM 1384 CB A PRO A 45 ? 10.89961 10.11221 12.67902 0.407 11.15902 C ? A ? 46 CB 1
   ATOM 1385 CG A PRO A 45 ? 12.29816 10.33205 12.29706 0.407 15.97409 C ? A ? 46 CG 1
   ATOM 1386 CD A PRO A 45 ? 13.11156 9.52987 13.26963 0.407 14.31019 C ? A ? 46 CD 1
   ATOM 1387 HA A PRO A 45 ? 10.69210 10.77289 14.64957 0.407 10.72908 H ? A ? 46 HA 1
   ATOM 1388 HB2 A PRO A 45 ? 10.55010 9.30988 12.26067 0.407 13.39082 H ? A ? 46 HB2 1
   ATOM 1389 HB3 A PRO A 45 ? 10.35262 10.87657 12.43932 0.407 13.39082 H ? A ? 46 HB3 1
   ATOM 1390 HG2 A PRO A 45 ? 12.44311 10.02287 11.38915 0.407 19.16890 H ? A ? 46 HG2 1
   ATOM 1391 HG3 A PRO A 45 ? 12.51253 11.27567 12.36440 0.407 19.16890 H ? A ? 46 HG3 1
   ATOM 1392 HD2 A PRO A 45 ? 13.22713 8.61908 12.95657 0.407 17.17222 H ? A ? 46 HD2 1
   ATOM 1393 HD3 A PRO A 45 ? 13.97700 9.94132 13.42002 0.407 17.17222 H ? A ? 46 HD3 1
   ATOM 1394 N B PRO A 45 ? 12.28154 9.52030 14.49544 0.593 9.85720 N ? A ? 46 N 1
   ATOM 1395 CA B PRO A 45 ? 10.89336 9.88004 14.27819 0.593 8.91116 C ? A ? 46 CA 1
   ATOM 1396 C B PRO A 45 ? 9.93167 8.84240 14.84332 0.593 6.37226 C ? A ? 46 C 1
   ATOM 1397 O B PRO A 45 ? 10.30470 7.70865 15.16897 0.593 8.66811 O ? A ? 46 O 1
   ATOM 1398 CB B PRO A 45 ? 10.79173 9.95046 12.74521 0.593 11.88146 C ? A ? 46 CB 1
   ATOM 1399 CG B PRO A 45 ? 12.20668 10.12967 12.25890 0.593 17.02606 C ? A ? 46 CG 1
   ATOM 1400 CD B PRO A 45 ? 13.04047 9.38084 13.24145 0.593 14.74338 C ? A ? 46 CD 1
   ATOM 1401 HA B PRO A 45 ? 10.69905 10.74442 14.67316 0.593 10.69339 H ? A ? 46 HA 1
   ATOM 1402 HB2 B PRO A 45 ? 10.41017 9.12694 12.40299 0.593 14.25775 H ? A ? 46 HB2 1
   ATOM 1403 HB3 B PRO A 45 ? 10.23916 10.70464 12.48680 0.593 14.25775 H ? A ? 46 HB3 1
   ATOM 1404 HG2 B PRO A 45 ? 12.30111 9.75819 11.36784 0.593 20.43127 H ? A ? 46 HG2 1
   ATOM 1405 HG3 B PRO A 45 ? 12.43866 11.07149 12.25200 0.593 20.43127 H ? A ? 46 HG3 1
   ATOM 1406 HD2 B PRO A 45 ? 13.12107 8.44817 12.98743 0.593 17.69206 H ? A ? 46 HD2 1
   ATOM 1407 HD3 B PRO A 45 ? 13.92090 9.77963 13.32343 0.593 17.69206 H ? A ? 46 HD3 1
   ATOM 1408 N A PHE A 46 ? 8.70024 9.31457 14.89783 0.407 6.55627 N ? A ? 47 N 1
   ATOM 1409 CA A PHE A 46 ? 7.58305 8.48056 15.29810 0.407 7.09940 C ? A ? 47 CA 1
   ATOM 1410 C A PHE A 46 ? 6.66935 8.21632 14.10576 0.407 6.64771 C ? A ? 47 C 1
   ATOM 1411 O A PHE A 46 ? 6.38545 9.11761 13.31071 0.407 6.62131 O ? A ? 47 O 1
   ATOM 1412 CB A PHE A 46 ? 6.81213 9.21412 16.40642 0.407 7.25355 C ? A ? 47 CB 1
   ATOM 1413 CG A PHE A 46 ? 5.49135 8.59348 16.74458 0.407 7.25422 C ? A ? 47 CG 1
   ATOM 1414 CD1 A PHE A 46 ? 5.44415 7.39771 17.43162 0.407 9.20624 C ? A ? 47 CD1 1
   ATOM 1415 CD2 A PHE A 46 ? 4.30138 9.17230 16.32955 0.407 7.04695 C ? A ? 47 CD2 1
   ATOM 1416 CE1 A PHE A 46 ? 4.24166 6.79262 17.69922 0.407 10.13766 C ? A ? 47 CE1 1
   ATOM 1417 CE2 A PHE A 46 ? 3.09136 8.57304 16.60603 0.407 7.79935 C ? A ? 47 CE2 1
   ATOM 1418 CZ A PHE A 46 ? 3.06128 7.38414 17.28511 0.407 8.87594 C ? A ? 47 CZ 1
   ATOM 1419 H A PHE A 46 ? 8.49145 10.14826 14.86653 0.407 7.86752 H ? A ? 47 H 1
   ATOM 1420 HA A PHE A 46 ? 7.88686 7.61787 15.62117 0.407 8.51928 H ? A ? 47 HA 1
   ATOM 1421 HB2 A PHE A 46 ? 7.35224 9.21533 17.21214 0.407 8.70426 H ? A ? 47 HB2 1
   ATOM 1422 HB3 A PHE A 46 ? 6.64465 10.12495 16.11791 0.407 8.70426 H ? A ? 47 HB3 1
   ATOM 1423 HD1 A PHE A 46 ? 6.23437 6.99816 17.71592 0.407 11.04749 H ? A ? 47 HD1 1
   ATOM 1424 HD2 A PHE A 46 ? 4.32007 9.97432 15.85910 0.407 8.45634 H ? A ? 47 HD2 1
   ATOM 1425 HE1 A PHE A 46 ? 4.22017 5.98458 18.15913 0.407 12.16519 H ? A ? 47 HE1 1
   ATOM 1426 HE2 A PHE A 46 ? 2.29835 8.97452 16.33247 0.407 9.35922 H ? A ? 47 HE2 1
   ATOM 1427 HZ A PHE A 46 ? 2.24689 6.97404 17.46808 0.407 10.65112 H ? A ? 47 HZ 1
   ATOM 1428 N B PHE A 46 ? 8.67833 9.27189 14.94466 0.593 6.46235 N ? A ? 47 N 1
   ATOM 1429 CA B PHE A 46 ? 7.54649 8.44656 15.30242 0.593 7.25432 C ? A ? 47 CA 1
   ATOM 1430 C B PHE A 46 ? 6.68921 8.20495 14.06369 0.593 6.45921 C ? A ? 47 C 1
   ATOM 1431 O B PHE A 46 ? 6.52217 9.09847 13.22340 0.593 6.67638 O ? A ? 47 O 1
   ATOM 1432 CB B PHE A 46 ? 6.75441 9.17593 16.40109 0.593 7.25107 C ? A ? 47 CB 1
   ATOM 1433 CG B PHE A 46 ? 5.44403 8.54424 16.72675 0.593 7.32063 C ? A ? 47 CG 1
   ATOM 1434 CD1 B PHE A 46 ? 5.40263 7.29182 17.31642 0.593 9.43815 C ? A ? 47 CD1 1
   ATOM 1435 CD2 B PHE A 46 ? 4.25856 9.15800 16.37421 0.593 6.99976 C ? A ? 47 CD2 1
   ATOM 1436 CE1 B PHE A 46 ? 4.19857 6.67320 17.55885 0.593 10.03196 C ? A ? 47 CE1 1
   ATOM 1437 CE2 B PHE A 46 ? 3.05562 8.54597 16.62788 0.593 7.74957 C ? A ? 47 CE2 1
   ATOM 1438 CZ B PHE A 46 ? 3.02604 7.30764 17.21752 0.593 8.85812 C ? A ? 47 CZ 1
   ATOM 1439 H B PHE A 46 ? 8.45142 10.08884 14.80079 0.593 7.75482 H ? A ? 47 H 1
   ATOM 1440 HA B PHE A 46 ? 7.81407 7.57394 15.63081 0.593 8.70518 H ? A ? 47 HA 1
   ATOM 1441 HB2 B PHE A 46 ? 7.28612 9.18670 17.21231 0.593 8.70128 H ? A ? 47 HB2 1
   ATOM 1442 HB3 B PHE A 46 ? 6.57914 10.08357 16.10722 0.593 8.70128 H ? A ? 47 HB3 1
   ATOM 1443 HD1 B PHE A 46 ? 6.19548 6.86571 17.55034 0.593 11.32578 H ? A ? 47 HD1 1
   ATOM 1444 HD2 B PHE A 46 ? 4.27479 9.99158 15.96215 0.593 8.39971 H ? A ? 47 HD2 1
   ATOM 1445 HE1 B PHE A 46 ? 4.17682 5.83041 17.95144 0.593 12.03835 H ? A ? 47 HE1 1
   ATOM 1446 HE2 B PHE A 46 ? 2.26060 8.97122 16.39982 0.593 9.29948 H ? A ? 47 HE2 1
   ATOM 1447 HZ B PHE A 46 ? 2.21002 6.89510 17.38732 0.593 10.62974 H ? A ? 47 HZ 1
   ATOM 1448 N A LYS A 47 ? 6.18824 6.97882 13.99342 0.407 6.53170 N ? A ? 48 N 1
   ATOM 1449 CA A LYS A 47 ? 5.36365 6.56824 12.86617 0.407 7.09800 C ? A ? 48 CA 1
   ATOM 1450 C A LYS A 47 ? 3.98606 6.12573 13.34223 0.407 6.32279 C ? A ? 48 C 1
   ATOM 1451 O A LYS A 47 ? 3.84902 5.48645 14.39668 0.407 6.51950 O ? A ? 48 O 1
   ATOM 1452 CB A LYS A 47 ? 6.03232 5.42941 12.08860 0.407 7.97924 C ? A ? 48 CB 1
   ATOM 1453 CG A LYS A 47 ? 7.35827 5.82756 11.45083 0.407 8.62544 C ? A ? 48 CG 1
   ATOM 1454 CD A LYS A 47 ? 7.85954 4.79835 10.44892 0.407 11.31967 C ? A ? 48 CD 1
   ATOM 1455 CE A LYS A 47 ? 9.15964 5.25644 9.79287 0.407 10.59813 C ? A ? 48 CE 1
   ATOM 1456 NZ A LYS A 47 ? 9.67309 4.26931 8.79447 0.407 13.21955 N ? A ? 48 NZ 1
   ATOM 1457 H A LYS A 47 ? 6.32981 6.35386 14.56699 0.407 7.83804 H ? A ? 48 H 1
   ATOM 1458 HA A LYS A 47 ? 5.24008 7.32499 12.27207 0.407 8.51760 H ? A ? 48 HA 1
   ATOM 1459 HB2 A LYS A 47 ? 6.20385 4.69356 12.69687 0.407 9.57508 H ? A ? 48 HB2 1
   ATOM 1460 HB3 A LYS A 47 ? 5.43577 5.14182 11.37985 0.407 9.57508 H ? A ? 48 HB3 1
   ATOM 1461 HG2 A LYS A 47 ? 7.24486 6.67016 10.98386 0.407 10.35052 H ? A ? 48 HG2 1
   ATOM 1462 HG3 A LYS A 47 ? 8.02864 5.92094 12.14565 0.407 10.35052 H ? A ? 48 HG3 1
   ATOM 1463 HD2 A LYS A 47 ? 8.02581 3.95850 10.90489 0.407 13.58360 H ? A ? 48 HD2 1
   ATOM 1464 HD3 A LYS A 47 ? 7.19374 4.67284 9.75477 0.407 13.58360 H ? A ? 48 HD3 1
   ATOM 1465 HE2 A LYS A 47 ? 9.00473 6.09659 9.33346 0.407 12.71776 H ? A ? 48 HE2 1
   ATOM 1466 HE3 A LYS A 47 ? 9.83706 5.37260 10.47735 0.407 12.71776 H ? A ? 48 HE3 1
   ATOM 1467 HZ1 A LYS A 47 ? 10.31956 4.63815 8.30647 0.407 15.86346 H ? A ? 48 HZ1 1
   ATOM 1468 HZ2 A LYS A 47 ? 9.99907 3.55465 9.21292 0.407 15.86346 H ? A ? 48 HZ2 1
   ATOM 1469 HZ3 A LYS A 47 ? 9.01430 4.01214 8.25414 0.407 15.86346 H ? A ? 48 HZ3 1
   ATOM 1470 N B LYS A 47 ? 6.13978 6.99329 13.94875 0.593 6.64139 N ? A ? 48 N 1
   ATOM 1471 CA B LYS A 47 ? 5.34080 6.59456 12.79740 0.593 6.94581 C ? A ? 48 CA 1
   ATOM 1472 C B LYS A 47 ? 3.96933 6.09834 13.24322 0.593 6.12792 C ? A ? 48 C 1
   ATOM 1473 O B LYS A 47 ? 3.85317 5.34130 14.22138 0.593 7.46800 O ? A ? 48 O 1
   ATOM 1474 CB B LYS A 47 ? 6.03265 5.46270 12.04918 0.593 8.09370 C ? A ? 48 CB 1
   ATOM 1475 CG B LYS A 47 ? 7.44242 5.80788 11.65876 0.593 8.87587 C ? A ? 48 CG 1
   ATOM 1476 CD B LYS A 47 ? 8.08000 4.70732 10.84471 0.593 11.13909 C ? A ? 48 CD 1
   ATOM 1477 CE B LYS A 47 ? 9.49518 5.07633 10.40867 0.593 12.97431 C ? A ? 48 CE 1
   ATOM 1478 NZ B LYS A 47 ? 10.10205 4.01356 9.55165 0.593 16.25122 N ? A ? 48 NZ 1
   ATOM 1479 H B LYS A 47 ? 6.22022 6.37440 14.54045 0.593 7.96966 H ? A ? 48 H 1
   ATOM 1480 HA B LYS A 47 ? 5.21784 7.36137 12.21620 0.593 8.33497 H ? A ? 48 HA 1
   ATOM 1481 HB2 B LYS A 47 ? 6.06116 4.67784 12.61846 0.593 9.71244 H ? A ? 48 HB2 1
   ATOM 1482 HB3 B LYS A 47 ? 5.53495 5.26757 11.23979 0.593 9.71244 H ? A ? 48 HB3 1
   ATOM 1483 HG2 B LYS A 47 ? 7.43830 6.61781 11.12501 0.593 10.65104 H ? A ? 48 HG2 1
   ATOM 1484 HG3 B LYS A 47 ? 7.97360 5.94090 12.45942 0.593 10.65104 H ? A ? 48 HG3 1
   ATOM 1485 HD2 B LYS A 47 ? 8.12746 3.89938 11.37938 0.593 13.36691 H ? A ? 48 HD2 1
   ATOM 1486 HD3 B LYS A 47 ? 7.54848 4.54791 10.04912 0.593 13.36691 H ? A ? 48 HD3 1
   ATOM 1487 HE2 B LYS A 47 ? 9.46873 5.90082 9.89836 0.593 15.56917 H ? A ? 48 HE2 1
   ATOM 1488 HE3 B LYS A 47 ? 10.05327 5.18991 11.19387 0.593 15.56917 H ? A ? 48 HE3 1
   ATOM 1489 HZ1 B LYS A 47 ? 10.88427 4.29126 9.23052 0.593 19.50146 H ? A ? 48 HZ1 1
   ATOM 1490 HZ2 B LYS A 47 ? 10.23218 3.27431 10.02984 0.593 19.50146 H ? A ? 48 HZ2 1
   ATOM 1491 HZ3 B LYS A 47 ? 9.56064 3.82555 8.87075 0.593 19.50146 H ? A ? 48 HZ3 1
   ATOM 1492 N A PHE A 48 ? 2.96391 6.46952 12.56534 0.407 6.14899 N ? A ? 49 N 1
   ATOM 1493 CA A PHE A 48 ? 1.60356 6.01784 12.84293 0.407 6.58096 C ? A ? 49 CA 1
   ATOM 1494 C A PHE A 48 ? 0.80011 6.06778 11.55165 0.407 5.95333 C ? A ? 49 C 1
   ATOM 1495 O A PHE A 48 ? 1.22562 6.65610 10.55521 0.407 6.85489 O ? A ? 49 O 1
   ATOM 1496 CB A PHE A 48 ? 0.93203 6.86357 13.93783 0.407 6.43644 C ? A ? 49 CB 1
   ATOM 1497 CG A PHE A 48 ? 0.46395 8.20965 13.46918 0.407 6.50098 C ? A ? 49 CG 1
   ATOM 1498 CD1 A PHE A 48 ? 1.33886 9.27108 13.34371 0.407 7.51344 C ? A ? 49 CD1 1
   ATOM 1499 CD2 A PHE A 48 ? -0.86985 8.41060 13.13818 0.407 8.11006 C ? A ? 49 CD2 1
   ATOM 1500 CE1 A PHE A 48 ? 0.90227 10.50624 12.89137 0.407 8.08854 C ? A ? 49 CE1 1
   ATOM 1501 CE2 A PHE A 48 ? -1.31211 9.65326 12.67551 0.407 9.11920 C ? A ? 49 CE2 1
   ATOM 1502 CZ A PHE A 48 ? -0.41802 10.69059 12.55976 0.407 9.54871 C ? A ? 49 CZ 1
   ATOM 1503 H A PHE A 48 ? 3.03194 6.96667 11.86690 0.407 7.37878 H ? A ? 49 H 1
   ATOM 1504 HA A PHE A 48 ? 1.63766 5.09801 13.14894 0.407 7.89715 H ? A ? 49 HA 1
   ATOM 1505 HB2 A PHE A 48 ? 0.15887 6.38238 14.27187 0.407 7.72373 H ? A ? 49 HB2 1
   ATOM 1506 HB3 A PHE A 48 ? 1.56932 7.00626 14.65504 0.407 7.72373 H ? A ? 49 HB3 1
   ATOM 1507 HD1 A PHE A 48 ? 2.23440 9.15517 13.56611 0.407 9.01613 H ? A ? 49 HD1 1
   ATOM 1508 HD2 A PHE A 48 ? -1.47565 7.71039 13.22537 0.407 9.73207 H ? A ? 49 HD2 1
   ATOM 1509 HE1 A PHE A 48 ? 1.50382 11.21106 12.81224 0.407 9.70625 H ? A ? 49 HE1 1
   ATOM 1510 HE2 A PHE A 48 ? -2.20519 9.77723 12.44759 0.407 10.94304 H ? A ? 49 HE2 1
   ATOM 1511 HZ A PHE A 48 ? -0.70789 11.52035 12.25583 0.407 11.45845 H ? A ? 49 HZ 1
   ATOM 1512 N B PHE A 48 ? 2.93253 6.51313 12.51941 0.593 6.29773 N ? A ? 49 N 1
   ATOM 1513 CA B PHE A 48 ? 1.58198 6.03633 12.79762 0.593 6.51243 C ? A ? 49 CA 1
   ATOM 1514 C B PHE A 48 ? 0.75438 6.07922 11.52456 0.593 5.87234 C ? A ? 49 C 1
   ATOM 1515 O B PHE A 48 ? 1.12947 6.70760 10.53417 0.593 6.84591 O ? A ? 49 O 1
   ATOM 1516 CB B PHE A 48 ? 0.89394 6.86307 13.90555 0.593 6.26616 C ? A ? 49 CB 1
   ATOM 1517 CG B PHE A 48 ? 0.43264 8.21161 13.45243 0.593 6.64527 C ? A ? 49 CG 1
   ATOM 1518 CD1 B PHE A 48 ? 1.31383 9.26471 13.30195 0.593 7.45645 C ? A ? 49 CD1 1
   ATOM 1519 CD2 B PHE A 48 ? -0.89851 8.41725 13.12894 0.593 8.17481 C ? A ? 49 CD2 1
   ATOM 1520 CE1 B PHE A 48 ? 0.88282 10.49932 12.83734 0.593 8.16958 C ? A ? 49 CE1 1
   ATOM 1521 CE2 B PHE A 48 ? -1.33191 9.66266 12.65222 0.593 9.05704 C ? A ? 49 CE2 1
   ATOM 1522 CZ B PHE A 48 ? -0.42887 10.68739 12.51512 0.593 9.69676 C ? A ? 49 CZ 1
   ATOM 1523 H B PHE A 48 ? 2.98576 7.06818 11.86467 0.593 7.55727 H ? A ? 49 H 1
   ATOM 1524 HA B PHE A 48 ? 1.64548 5.11431 13.09216 0.593 7.81492 H ? A ? 49 HA 1
   ATOM 1525 HB2 B PHE A 48 ? 0.11741 6.37540 14.22191 0.593 7.51939 H ? A ? 49 HB2 1
   ATOM 1526 HB3 B PHE A 48 ? 1.52236 6.99405 14.63276 0.593 7.51939 H ? A ? 49 HB3 1
   ATOM 1527 HD1 B PHE A 48 ? 2.21092 9.14434 13.51558 0.593 8.94774 H ? A ? 49 HD1 1
   ATOM 1528 HD2 B PHE A 48 ? -1.50982 7.72354 13.22877 0.593 9.80977 H ? A ? 49 HD2 1
   ATOM 1529 HE1 B PHE A 48 ? 1.48882 11.19879 12.74567 0.593 9.80349 H ? A ? 49 HE1 1
   ATOM 1530 HE2 B PHE A 48 ? -2.22551 9.79361 12.43032 0.593 10.86845 H ? A ? 49 HE2 1
   ATOM 1531 HZ B PHE A 48 ? -0.71336 11.51503 12.20054 0.593 11.63611 H ? A ? 49 HZ 1
   ATOM 1532 N A MET A 49 ? -0.38879 5.46303 11.59772 0.407 6.08300 N ? A ? 50 N 1
   ATOM 1533 CA A MET A 49 ? -1.32030 5.40450 10.47349 0.407 6.60459 C ? A ? 50 CA 1
   ATOM 1534 C A MET A 49 ? -2.70492 5.81819 10.94918 0.407 6.53999 C ? A ? 50 C 1
   ATOM 1535 O A MET A 49 ? -3.11783 5.43850 12.05012 0.407 7.35328 O ? A ? 50 O 1
   ATOM 1536 CB A MET A 49 ? -1.43214 3.97174 9.92961 0.407 7.21760 C ? A ? 50 CB 1
   ATOM 1537 CG A MET A 49 ? -0.09480 3.44021 9.50438 0.407 9.06577 C ? A ? 50 CG 1
   ATOM 1538 SD A MET A 49 ? -0.03120 1.80685 8.82547 0.407 8.07834 S ? A ? 50 SD 1
   ATOM 1539 CE A MET A 49 ? -0.89918 2.06612 7.29755 0.407 12.32360 C ? A ? 50 CE 1
   ATOM 1540 H A MET A 49 ? -0.68848 5.06406 12.29815 0.407 7.29960 H ? A ? 50 H 1
   ATOM 1541 HA A MET A 49 ? -1.00576 5.99871 9.77430 0.407 7.92551 H ? A ? 50 HA 1
   ATOM 1542 HB2 A MET A 49 ? -1.78530 3.39229 10.62273 0.407 8.66112 H ? A ? 50 HB2 1
   ATOM 1543 HB3 A MET A 49 ? -2.02238 3.96610 9.15988 0.407 8.66112 H ? A ? 50 HB3 1
   ATOM 1544 HG2 A MET A 49 ? 0.25909 4.03689 8.82641 0.407 10.87892 H ? A ? 50 HG2 1
   ATOM 1545 HG3 A MET A 49 ? 0.48496 3.44064 10.28205 0.407 10.87892 H ? A ? 50 HG3 1
   ATOM 1546 HE1 A MET A 49 ? -0.98617 1.21751 6.83583 0.407 14.78832 H ? A ? 50 HE1 1
   ATOM 1547 HE2 A MET A 49 ? -1.77770 2.42898 7.49106 0.407 14.78832 H ? A ? 50 HE2 1
   ATOM 1548 HE3 A MET A 49 ? -0.39664 2.69017 6.75082 0.407 14.78832 H ? A ? 50 HE3 1
   ATOM 1549 N B MET A 49 ? -0.40821 5.44278 11.59189 0.593 6.18016 N ? A ? 50 N 1
   ATOM 1550 CA B MET A 49 ? -1.36731 5.40123 10.49397 0.593 6.50927 C ? A ? 50 CA 1
   ATOM 1551 C B MET A 49 ? -2.72358 5.87080 10.99904 0.593 6.50742 C ? A ? 50 C 1
   ATOM 1552 O B MET A 49 ? -3.03203 5.72989 12.19943 0.593 7.46197 O ? A ? 50 O 1
   ATOM 1553 CB B MET A 49 ? -1.50660 3.97944 9.93219 0.593 7.19327 C ? A ? 50 CB 1
   ATOM 1554 CG B MET A 49 ? -0.19733 3.41814 9.40056 0.593 7.91290 C ? A ? 50 CG 1
   ATOM 1555 SD B MET A 49 ? -0.33422 1.78170 8.75150 0.593 9.28750 S ? A ? 50 SD 1
   ATOM 1556 CE B MET A 49 ? -1.00879 2.20366 7.10793 0.593 11.57513 C ? A ? 50 CE 1
   ATOM 1557 H B MET A 49 ? -0.67412 5.01219 12.28722 0.593 7.41620 H ? A ? 50 H 1
   ATOM 1558 HA B MET A 49 ? -1.06609 5.98491 9.78018 0.593 7.81113 H ? A ? 50 HA 1
   ATOM 1559 HB2 B MET A 49 ? -1.81941 3.39180 10.63769 0.593 8.63192 H ? A ? 50 HB2 1
   ATOM 1560 HB3 B MET A 49 ? -2.14541 3.99088 9.20233 0.593 8.63192 H ? A ? 50 HB3 1
   ATOM 1561 HG2 B MET A 49 ? 0.12188 3.99305 8.68748 0.593 9.49549 H ? A ? 50 HG2 1
   ATOM 1562 HG3 B MET A 49 ? 0.44906 3.39613 10.12347 0.593 9.49549 H ? A ? 50 HG3 1
   ATOM 1563 HE1 B MET A 49 ? -1.09198 1.39229 6.58290 0.593 13.89016 H ? A ? 50 HE1 1
   ATOM 1564 HE2 B MET A 49 ? -1.87972 2.61569 7.22030 0.593 13.89016 H ? A ? 50 HE2 1
   ATOM 1565 HE3 B MET A 49 ? -0.40467 2.82194 6.66785 0.593 13.89016 H ? A ? 50 HE3 1
   ATOM 1566 N A LEU A 50 ? -3.41525 6.58773 10.12643 0.407 7.01178 N ? A ? 51 N 1
   ATOM 1567 CA A LEU A 50 ? -4.78621 6.95922 10.44992 0.407 6.66877 C ? A ? 51 CA 1
   ATOM 1568 C A LEU A 50 ? -5.73321 5.75382 10.32757 0.407 8.17737 C ? A ? 51 C 1
   ATOM 1569 O A LEU A 50 ? -5.47863 4.81554 9.56756 0.407 10.64727 O ? A ? 51 O 1
   ATOM 1570 CB A LEU A 50 ? -5.23528 8.08087 9.51569 0.407 9.81195 C ? A ? 51 CB 1
   ATOM 1571 CG A LEU A 50 ? -4.41224 9.37039 9.63577 0.407 7.65811 C ? A ? 51 CG 1
   ATOM 1572 CD1 A LEU A 50 ? -4.74653 10.30475 8.49015 0.407 10.06359 C ? A ? 51 CD1 1
   ATOM 1573 CD2 A LEU A 50 ? -4.70705 10.02626 10.96969 0.407 10.79906 C ? A ? 51 CD2 1
   ATOM 1574 H A LEU A 50 ? -3.12697 6.90450 9.38068 0.407 8.41414 H ? A ? 51 H 1
   ATOM 1575 HA A LEU A 50 ? -4.83685 7.27217 11.36665 0.407 8.00253 H ? A ? 51 HA 1
   ATOM 1576 HB2 A LEU A 50 ? -5.16159 7.76869 8.60026 0.407 11.77435 H ? A ? 51 HB2 1
   ATOM 1577 HB3 A LEU A 50 ? -6.15814 8.30066 9.71798 0.407 11.77435 H ? A ? 51 HB3 1
   ATOM 1578 HG A LEU A 50 ? -3.46384 9.17183 9.59083 0.407 9.18973 H ? A ? 51 HG 1
   ATOM 1579 HD11 A LEU A 50 ? -4.22020 11.11464 8.57929 0.407 12.07631 H ? A ? 51 HD11 1
   ATOM 1580 HD12 A LEU A 50 ? -4.53644 9.86431 7.65183 0.407 12.07631 H ? A ? 51 HD12 1
   ATOM 1581 HD13 A LEU A 50 ? -5.69192 10.51933 8.52322 0.407 12.07631 H ? A ? 51 HD13 1
   ATOM 1582 HD21 A LEU A 50 ? -4.30289 10.90793 10.98428 0.407 12.95887 H ? A ? 51 HD21 1
   ATOM 1583 HD22 A LEU A 50 ? -5.66793 10.10100 11.07933 0.407 12.95887 H ? A ? 51 HD22 1
   ATOM 1584 HD23 A LEU A 50 ? -4.33465 9.47989 11.67940 0.407 12.95887 H ? A ? 51 HD23 1
   ATOM 1585 N B LEU A 50 ? -3.51925 6.41355 10.07613 0.593 7.37781 N ? A ? 51 N 1
   ATOM 1586 CA B LEU A 50 ? -4.88217 6.81673 10.35719 0.593 7.00523 C ? A ? 51 CA 1
   ATOM 1587 C B LEU A 50 ? -5.82511 5.60824 10.38300 0.593 7.23847 C ? A ? 51 C 1
   ATOM 1588 O B LEU A 50 ? -5.56883 4.56385 9.77875 0.593 8.71625 O ? A ? 51 O 1
   ATOM 1589 CB B LEU A 50 ? -5.40039 7.76945 9.26960 0.593 7.08191 C ? A ? 51 CB 1
   ATOM 1590 CG B LEU A 50 ? -4.68226 9.10683 9.15532 0.593 8.38394 C ? A ? 51 CG 1
   ATOM 1591 CD1 B LEU A 50 ? -5.22759 9.91449 7.98667 0.593 10.55643 C ? A ? 51 CD1 1
   ATOM 1592 CD2 B LEU A 50 ? -4.75868 9.94212 10.42974 0.593 12.45463 C ? A ? 51 CD2 1
   ATOM 1593 H B LEU A 50 ? -3.28141 6.55936 9.26263 0.593 8.85337 H ? A ? 51 H 1
   ATOM 1594 HA B LEU A 50 ? -4.88920 7.25708 11.22145 0.593 8.40627 H ? A ? 51 HA 1
   ATOM 1595 HB2 B LEU A 50 ? -5.31566 7.32396 8.41213 0.593 8.49829 H ? A ? 51 HB2 1
   ATOM 1596 HB3 B LEU A 50 ? -6.33355 7.95956 9.45393 0.593 8.49829 H ? A ? 51 HB3 1
   ATOM 1597 HG B LEU A 50 ? -3.74568 8.90492 9.00383 0.593 10.06073 H ? A ? 51 HG 1
   ATOM 1598 HD11 B LEU A 50 ? -4.76327 10.76521 7.94676 0.593 12.66771 H ? A ? 51 HD11 1
   ATOM 1599 HD12 B LEU A 50 ? -5.08203 9.41935 7.16536 0.593 12.66771 H ? A ? 51 HD12 1
   ATOM 1600 HD13 B LEU A 50 ? -6.17698 10.06177 8.12029 0.593 12.66771 H ? A ? 51 HD13 1
   ATOM 1601 HD21 B LEU A 50 ? -4.36257 10.81147 10.26176 0.593 14.94556 H ? A ? 51 HD21 1
   ATOM 1602 HD22 B LEU A 50 ? -5.68900 10.04604 10.68391 0.593 14.94556 H ? A ? 51 HD22 1
   ATOM 1603 HD23 B LEU A 50 ? -4.27191 9.48752 11.13494 0.593 14.94556 H ? A ? 51 HD23 1
   ATOM 1604 N A GLY A 51 ? -6.83170 5.78134 11.10307 0.407 8.53232 N ? A ? 52 N 1
   ATOM 1605 CA A GLY A 51 ? -7.92243 4.83160 10.96794 0.407 10.32979 C ? A ? 52 CA 1
   ATOM 1606 C A GLY A 51 ? -7.88290 3.63120 11.88734 0.407 10.01611 C ? A ? 52 C 1
   ATOM 1607 O A GLY A 51 ? -8.80193 2.79259 11.82667 0.407 9.80001 O ? A ? 52 O 1
   ATOM 1608 H A GLY A 51 ? -6.96097 6.35925 11.72670 0.407 10.23878 H ? A ? 52 H 1
   ATOM 1609 HA2 A GLY A 51 ? -8.75583 5.29838 11.13664 0.407 12.39575 H ? A ? 52 HA2 1
   ATOM 1610 HA3 A GLY A 51 ? -7.92574 4.49870 10.05686 0.407 12.39575 H ? A ? 52 HA3 1
   ATOM 1611 N B GLY A 51 ? -6.94274 5.78232 11.08285 0.593 8.53526 N ? A ? 52 N 1
   ATOM 1612 CA B GLY A 51 ? -8.03279 4.83688 11.03001 0.593 9.73940 C ? A ? 52 CA 1
   ATOM 1613 C B GLY A 51 ? -7.80422 3.55231 11.77870 0.593 9.80558 C ? A ? 52 C 1
   ATOM 1614 O B GLY A 51 ? -8.44672 2.53679 11.46758 0.593 11.60170 O ? A ? 52 O 1
   ATOM 1615 H B GLY A 51 ? -7.08975 6.45229 11.60162 0.593 10.24232 H ? A ? 52 H 1
   ATOM 1616 HA2 B GLY A 51 ? -8.82451 5.25682 11.40113 0.593 11.68729 H ? A ? 52 HA2 1
   ATOM 1617 HA3 B GLY A 51 ? -8.20099 4.61053 10.10191 0.593 11.68729 H ? A ? 52 HA3 1
   ATOM 1618 N A LYS A 52 ? -6.86666 3.52621 12.74220 0.407 8.01774 N ? A ? 53 N 1
   ATOM 1619 CA A LYS A 52 ? -6.59677 2.34119 13.55008 0.407 9.08221 C ? A ? 53 CA 1
   ATOM 1620 C A LYS A 52 ? -6.69596 2.60134 15.04836 0.407 8.29296 C ? A ? 53 C 1
   ATOM 1621 O A LYS A 52 ? -6.32160 1.72713 15.84720 0.407 8.65681 O ? A ? 53 O 1
   ATOM 1622 CB A LYS A 52 ? -5.19604 1.81992 13.19186 0.407 9.85978 C ? A ? 53 CB 1
   ATOM 1623 CG A LYS A 52 ? -5.01144 1.57143 11.70960 0.407 12.27856 C ? A ? 53 CG 1
   ATOM 1624 CD A LYS A 52 ? -3.75005 0.79772 11.41692 0.407 11.30332 C ? A ? 53 CD 1
   ATOM 1625 CE A LYS A 52 ? -3.67755 0.46749 9.94908 0.407 11.76222 C ? A ? 53 CE 1
   ATOM 1626 NZ A LYS A 52 ? -2.76355 -0.66170 9.72422 0.407 12.82343 N ? A ? 53 NZ 1
   ATOM 1627 H A LYS A 52 ? -6.29603 4.15539 12.87681 0.407 9.62129 H ? A ? 53 H 1
   ATOM 1628 HA A LYS A 52 ? -7.25462 1.65726 13.34913 0.407 10.89865 H ? A ? 53 HA 1
   ATOM 1629 HB2 A LYS A 52 ? -4.53702 2.47563 13.46870 0.407 11.83173 H ? A ? 53 HB2 1
   ATOM 1630 HB3 A LYS A 52 ? -5.04515 0.98158 13.65588 0.407 11.83173 H ? A ? 53 HB3 1
   ATOM 1631 HG2 A LYS A 52 ? -5.76458 1.05938 11.37570 0.407 14.73427 H ? A ? 53 HG2 1
   ATOM 1632 HG3 A LYS A 52 ? -4.95808 2.42267 11.24760 0.407 14.73427 H ? A ? 53 HG3 1
   ATOM 1633 HD2 A LYS A 52 ? -2.97609 1.33209 11.65428 0.407 13.56399 H ? A ? 53 HD2 1
   ATOM 1634 HD3 A LYS A 52 ? -3.74937 -0.03008 11.92255 0.407 13.56399 H ? A ? 53 HD3 1
   ATOM 1635 HE2 A LYS A 52 ? -4.55883 0.22187 9.62670 0.407 14.11467 H ? A ? 53 HE2 1
   ATOM 1636 HE3 A LYS A 52 ? -3.34712 1.23619 9.45835 0.407 14.11467 H ? A ? 53 HE3 1
   ATOM 1637 HZ1 A LYS A 52 ? -2.41219 -0.61106 8.90809 0.407 15.38811 H ? A ? 53 HZ1 1
   ATOM 1638 HZ2 A LYS A 52 ? -2.10572 -0.64483 10.32345 0.407 15.38811 H ? A ? 53 HZ2 1
   ATOM 1639 HZ3 A LYS A 52 ? -3.20496 -1.43065 9.80145 0.407 15.38811 H ? A ? 53 HZ3 1
   ATOM 1640 N B LYS A 52 ? -6.94187 3.56205 12.78600 0.593 7.77453 N ? A ? 53 N 1
   ATOM 1641 CA B LYS A 52 ? -6.60847 2.36873 13.55230 0.593 9.03872 C ? A ? 53 CA 1
   ATOM 1642 C B LYS A 52 ? -6.73513 2.61046 15.04417 0.593 8.16151 C ? A ? 53 C 1
   ATOM 1643 O B LYS A 52 ? -6.33023 1.74848 15.84590 0.593 8.69164 O ? A ? 53 O 1
   ATOM 1644 CB B LYS A 52 ? -5.19198 1.91845 13.17428 0.593 9.56633 C ? A ? 53 CB 1
   ATOM 1645 CG B LYS A 52 ? -5.09777 1.45712 11.74774 0.593 11.79448 C ? A ? 53 CG 1
   ATOM 1646 CD B LYS A 52 ? -3.72463 0.95427 11.42174 0.593 11.37808 C ? A ? 53 CD 1
   ATOM 1647 CE B LYS A 52 ? -3.69552 0.47019 10.00321 0.593 11.78706 C ? A ? 53 CE 1
   ATOM 1648 NZ B LYS A 52 ? -2.43824 -0.23852 9.74700 0.593 10.15442 N ? A ? 53 NZ 1
   ATOM 1649 H B LYS A 52 ? -6.52533 4.26565 13.05254 0.593 9.32944 H ? A ? 53 H 1
   ATOM 1650 HA B LYS A 52 ? -7.21327 1.64080 13.33961 0.593 10.84647 H ? A ? 53 HA 1
   ATOM 1651 HB2 B LYS A 52 ? -4.58111 2.66275 13.29154 0.593 11.47959 H ? A ? 53 HB2 1
   ATOM 1652 HB3 B LYS A 52 ? -4.93039 1.18107 13.74764 0.593 11.47959 H ? A ? 53 HB3 1
   ATOM 1653 HG2 B LYS A 52 ? -5.72923 0.73554 11.60121 0.593 14.15338 H ? A ? 53 HG2 1
   ATOM 1654 HG3 B LYS A 52 ? -5.29886 2.19918 11.15630 0.593 14.15338 H ? A ? 53 HG3 1
   ATOM 1655 HD2 B LYS A 52 ? -3.07903 1.67126 11.52180 0.593 13.65370 H ? A ? 53 HD2 1
   ATOM 1656 HD3 B LYS A 52 ? -3.49571 0.21730 12.00942 0.593 13.65370 H ? A ? 53 HD3 1
   ATOM 1657 HE2 B LYS A 52 ? -4.43442 -0.13920 9.84967 0.593 14.14448 H ? A ? 53 HE2 1
   ATOM 1658 HE3 B LYS A 52 ? -3.75719 1.22557 9.39783 0.593 14.14448 H ? A ? 53 HE3 1
   ATOM 1659 HZ1 B LYS A 52 ? -2.26721 -0.24898 8.87365 0.593 12.18530 H ? A ? 53 HZ1 1
   ATOM 1660 HZ2 B LYS A 52 ? -1.76802 0.16879 10.16772 0.593 12.18530 H ? A ? 53 HZ2 1
   ATOM 1661 HZ3 B LYS A 52 ? -2.49622 -1.07690 10.04003 0.593 12.18530 H ? A ? 53 HZ3 1
   ATOM 1662 N A GLN A 53 ? -7.19103 3.77381 15.45123 0.407 7.38581 N ? A ? 54 N 1
   ATOM 1663 CA A GLN A 53 ? -7.30362 4.15011 16.85485 0.407 7.87808 C ? A ? 54 CA 1
   ATOM 1664 C A GLN A 53 ? -5.96818 4.03321 17.58536 0.407 7.27115 C ? A ? 54 C 1
   ATOM 1665 O A GLN A 53 ? -5.94206 3.79985 18.80179 0.407 8.47139 O ? A ? 54 O 1
   ATOM 1666 CB A GLN A 53 ? -8.39765 3.35607 17.57749 0.407 8.18484 C ? A ? 54 CB 1
   ATOM 1667 CG A GLN A 53 ? -9.77629 3.53347 16.97638 0.407 7.62388 C ? A ? 54 CG 1
   ATOM 1668 CD A GLN A 53 ? -10.80118 2.67361 17.67125 0.407 7.81061 C ? A ? 54 CD 1
   ATOM 1669 OE1 A GLN A 53 ? -11.11135 1.56306 17.21633 0.407 10.35057 O ? A ? 54 OE1 1
   ATOM 1670 NE2 A GLN A 53 ? -11.32120 3.14955 18.80444 0.407 7.61628 N ? A ? 54 NE2 1
   ATOM 1671 H A GLN A 53 ? -7.47486 4.38178 14.91325 0.407 8.86298 H ? A ? 54 H 1
   ATOM 1672 HA A GLN A 53 ? -7.56397 5.08394 16.88796 0.407 9.45370 H ? A ? 54 HA 1
   ATOM 1673 HB2 A GLN A 53 ? -8.17619 2.41252 17.53783 0.407 9.82181 H ? A ? 54 HB2 1
   ATOM 1674 HB3 A GLN A 53 ? -8.43719 3.64901 18.50136 0.407 9.82181 H ? A ? 54 HB3 1
   ATOM 1675 HG2 A GLN A 53 ? -10.04697 4.46082 17.06392 0.407 9.14866 H ? A ? 54 HG2 1
   ATOM 1676 HG3 A GLN A 53 ? -9.75217 3.28190 16.03988 0.407 9.14866 H ? A ? 54 HG3 1
   ATOM 1677 HE21 A GLN A 53 ? -11.06824 3.91429 19.10574 0.407 9.13954 H ? A ? 54 HE21 1
   ATOM 1678 HE22 A GLN A 53 ? -11.90926 2.69150 19.23337 0.407 9.13954 H ? A ? 54 HE22 1
   ATOM 1679 N B GLN A 53 ? -7.28431 3.75900 15.42812 0.593 7.42858 N ? A ? 54 N 1
   ATOM 1680 CA B GLN A 53 ? -7.40106 4.14700 16.81721 0.593 7.91915 C ? A ? 54 CA 1
   ATOM 1681 C B GLN A 53 ? -6.07806 4.00690 17.53814 0.593 7.30742 C ? A ? 54 C 1
   ATOM 1682 O B GLN A 53 ? -6.04651 3.70943 18.74313 0.593 8.82889 O ? A ? 54 O 1
   ATOM 1683 CB B GLN A 53 ? -8.47852 3.34506 17.53713 0.593 8.18447 C ? A ? 54 CB 1
   ATOM 1684 CG B GLN A 53 ? -9.83980 3.51712 16.99082 0.593 7.56209 C ? A ? 54 CG 1
   ATOM 1685 CD B GLN A 53 ? -10.76905 2.61696 17.73123 0.593 8.00328 C ? A ? 54 CD 1
   ATOM 1686 OE1 B GLN A 53 ? -10.86867 1.40858 17.43250 0.593 9.36888 O ? A ? 54 OE1 1
   ATOM 1687 NE2 B GLN A 53 ? -11.42240 3.14916 18.76295 0.593 7.56674 N ? A ? 54 NE2 1
   ATOM 1688 H B GLN A 53 ? -7.60376 4.34256 14.88313 0.593 8.91430 H ? A ? 54 H 1
   ATOM 1689 HA B GLN A 53 ? -7.66043 5.08135 16.84213 0.593 9.50298 H ? A ? 54 HA 1
   ATOM 1690 HB2 B GLN A 53 ? -8.25525 2.40313 17.47544 0.593 9.82137 H ? A ? 54 HB2 1
   ATOM 1691 HB3 B GLN A 53 ? -8.49920 3.62091 18.46685 0.593 9.82137 H ? A ? 54 HB3 1
   ATOM 1692 HG2 B GLN A 53 ? -10.12956 4.43567 17.10579 0.593 9.07451 H ? A ? 54 HG2 1
   ATOM 1693 HG3 B GLN A 53 ? -9.85189 3.28071 16.05015 0.593 9.07451 H ? A ? 54 HG3 1
   ATOM 1694 HE21 B GLN A 53 ? -11.29728 3.97395 18.97193 0.593 9.08009 H ? A ? 54 HE21 1
   ATOM 1695 HE22 B GLN A 53 ? -11.96931 2.66796 19.22004 0.593 9.08009 H ? A ? 54 HE22 1
   ATOM 1696 N A GLU A 54 ? -4.84546 4.23450 16.88611 0.407 6.39579 N ? A ? 55 N 1
   ATOM 1697 CA A GLU A 54 ? -3.53606 4.00749 17.46884 0.407 7.17354 C ? A ? 55 CA 1
   ATOM 1698 C A GLU A 54 ? -2.85292 5.31613 17.85962 0.407 6.18646 C ? A ? 55 C 1
   ATOM 1699 O A GLU A 54 ? -1.68971 5.31066 18.28739 0.407 7.44243 O ? A ? 55 O 1
   ATOM 1700 CB A GLU A 54 ? -2.64615 3.14510 16.58116 0.407 7.71945 C ? A ? 55 CB 1
   ATOM 1701 CG A GLU A 54 ? -2.16325 3.82803 15.31017 0.407 6.14119 C ? A ? 55 CG 1
   ATOM 1702 CD A GLU A 54 ? -1.13773 3.01626 14.55857 0.407 5.75404 C ? A ? 55 CD 1
   ATOM 1703 OE1 A GLU A 54 ? -0.79660 1.89770 15.03087 0.407 5.66868 O ? A ? 55 OE1 1
   ATOM 1704 OE2 A GLU A 54 ? -0.65073 3.48302 13.50461 0.407 6.62342 O ? A ? 55 OE2 1
   ATOM 1705 H A GLU A 54 ? -4.82558 4.50365 16.06955 0.407 7.67495 H ? A ? 55 H 1
   ATOM 1706 HA A GLU A 54 ? -3.65272 3.48234 18.27600 0.407 8.60825 H ? A ? 55 HA 1
   ATOM 1707 HB2 A GLU A 54 ? -1.86180 2.88626 17.08979 0.407 9.26334 H ? A ? 55 HB2 1
   ATOM 1708 HB3 A GLU A 54 ? -3.14562 2.35653 16.31738 0.407 9.26334 H ? A ? 55 HB3 1
   ATOM 1709 HG2 A GLU A 54 ? -2.92103 3.97110 14.72178 0.407 7.36943 H ? A ? 55 HG2 1
   ATOM 1710 HG3 A GLU A 54 ? -1.75904 4.67841 15.54331 0.407 7.36943 H ? A ? 55 HG3 1
   ATOM 1711 N B GLU A 54 ? -4.95547 4.24178 16.83936 0.593 6.70987 N ? A ? 55 N 1
   ATOM 1712 CA B GLU A 54 ? -3.66913 4.00498 17.47003 0.593 6.88429 C ? A ? 55 CA 1
   ATOM 1713 C B GLU A 54 ? -3.01016 5.28833 17.96513 0.593 6.36308 C ? A ? 55 C 1
   ATOM 1714 O B GLU A 54 ? -1.98941 5.23176 18.67410 0.593 7.14149 O ? A ? 55 O 1
   ATOM 1715 CB B GLU A 54 ? -2.71026 3.16652 16.62455 0.593 7.40706 C ? A ? 55 CB 1
   ATOM 1716 CG B GLU A 54 ? -2.06511 3.87819 15.45969 0.593 6.12788 C ? A ? 55 CG 1
   ATOM 1717 CD B GLU A 54 ? -0.95007 3.09796 14.80576 0.593 5.46519 C ? A ? 55 CD 1
   ATOM 1718 OE1 B GLU A 54 ? -0.56630 1.97930 15.28819 0.593 5.91498 O ? A ? 55 OE1 1
   ATOM 1719 OE2 B GLU A 54 ? -0.42738 3.60725 13.80317 0.593 5.71715 O ? A ? 55 OE2 1
   ATOM 1720 H B GLU A 54 ? -4.92541 4.52791 16.02891 0.593 8.05185 H ? A ? 55 H 1
   ATOM 1721 HA B GLU A 54 ? -3.82744 3.43862 18.24144 0.593 8.26114 H ? A ? 55 HA 1
   ATOM 1722 HB2 B GLU A 54 ? -1.99570 2.85048 17.19937 0.593 8.88847 H ? A ? 55 HB2 1
   ATOM 1723 HB3 B GLU A 54 ? -3.20329 2.41325 16.26344 0.593 8.88847 H ? A ? 55 HB3 1
   ATOM 1724 HG2 B GLU A 54 ? -2.74123 4.04777 14.78515 0.593 7.35345 H ? A ? 55 HG2 1
   ATOM 1725 HG3 B GLU A 54 ? -1.69288 4.71679 15.77449 0.593 7.35345 H ? A ? 55 HG3 1
   ATOM 1726 N A VAL A 55 ? -3.56644 6.42433 17.74857 0.407 6.56643 N ? A ? 56 N 1
   ATOM 1727 CA A VAL A 55 ? -3.14245 7.68561 18.32050 0.407 6.60299 C ? A ? 56 CA 1
   ATOM 1728 C A VAL A 55 ? -4.37566 8.35763 18.89827 0.407 6.06721 C ? A ? 56 C 1
   ATOM 1729 O A VAL A 55 ? -5.50823 8.09065 18.50487 0.407 7.02020 O ? A ? 56 O 1
   ATOM 1730 CB A VAL A 55 ? -2.46216 8.60810 17.28753 0.407 6.96526 C ? A ? 56 CB 1
   ATOM 1731 CG1 A VAL A 55 ? -1.06338 8.11414 16.96391 0.407 7.44186 C ? A ? 56 CG1 1
   ATOM 1732 CG2 A VAL A 55 ? -3.29746 8.72503 16.01827 0.407 8.03066 C ? A ? 56 CG2 1
   ATOM 1733 H A VAL A 55 ? -4.31925 6.46993 17.33528 0.407 7.87972 H ? A ? 56 H 1
   ATOM 1734 HA A VAL A 55 ? -2.50199 7.52686 19.03149 0.407 7.92359 H ? A ? 56 HA 1
   ATOM 1735 HB A VAL A 55 ? -2.38846 9.49426 17.67509 0.407 8.35831 H ? A ? 56 HB 1
   ATOM 1736 HG11 A VAL A 55 ? -0.66371 8.70552 16.30707 0.407 8.93023 H ? A ? 56 HG11 1
   ATOM 1737 HG12 A VAL A 55 ? -0.53258 8.11462 17.77579 0.407 8.93023 H ? A ? 56 HG12 1
   ATOM 1738 HG13 A VAL A 55 ? -1.12102 7.21406 16.60693 0.407 8.93023 H ? A ? 56 HG13 1
   ATOM 1739 HG21 A VAL A 55 ? -2.85615 9.33304 15.40470 0.407 9.63679 H ? A ? 56 HG21 1
   ATOM 1740 HG22 A VAL A 55 ? -3.37997 7.84781 15.61259 0.407 9.63679 H ? A ? 56 HG22 1
   ATOM 1741 HG23 A VAL A 55 ? -4.17553 9.06694 16.24846 0.407 9.63679 H ? A ? 56 HG23 1
   ATOM 1742 N B VAL A 55 ? -3.58021 6.44082 17.64449 0.593 6.52106 N ? A ? 56 N 1
   ATOM 1743 CA B VAL A 55 ? -3.16612 7.69858 18.23655 0.593 6.60400 C ? A ? 56 CA 1
   ATOM 1744 C B VAL A 55 ? -4.39715 8.35712 18.83574 0.593 6.26325 C ? A ? 56 C 1
   ATOM 1745 O B VAL A 55 ? -5.52031 8.14226 18.38534 0.593 6.43138 O ? A ? 56 O 1
   ATOM 1746 CB B VAL A 55 ? -2.45729 8.64440 17.24582 0.593 7.07134 C ? A ? 56 CB 1
   ATOM 1747 CG1 B VAL A 55 ? -1.14560 8.06237 16.78274 0.593 7.31416 C ? A ? 56 CG1 1
   ATOM 1748 CG2 B VAL A 55 ? -3.33830 8.99489 16.04781 0.593 7.58862 C ? A ? 56 CG2 1
   ATOM 1749 H B VAL A 55 ? -4.22056 6.51893 17.07577 0.593 7.82527 H ? A ? 56 H 1
   ATOM 1750 HA B VAL A 55 ? -2.52671 7.51386 18.94219 0.593 7.92480 H ? A ? 56 HA 1
   ATOM 1751 HB B VAL A 55 ? -2.27630 9.47082 17.72035 0.593 8.48560 H ? A ? 56 HB 1
   ATOM 1752 HG11 B VAL A 55 ? -0.74316 8.66454 16.13750 0.593 8.77699 H ? A ? 56 HG11 1
   ATOM 1753 HG12 B VAL A 55 ? -0.55891 7.95750 17.54805 0.593 8.77699 H ? A ? 56 HG12 1
   ATOM 1754 HG13 B VAL A 55 ? -1.31059 7.19939 16.37172 0.593 8.77699 H ? A ? 56 HG13 1
   ATOM 1755 HG21 B VAL A 55 ? -2.83054 9.54764 15.43337 0.593 9.10634 H ? A ? 56 HG21 1
   ATOM 1756 HG22 B VAL A 55 ? -3.61205 8.17552 15.60667 0.593 9.10634 H ? A ? 56 HG22 1
   ATOM 1757 HG23 B VAL A 55 ? -4.11863 9.47883 16.36051 0.593 9.10634 H ? A ? 56 HG23 1
   ATOM 1758 N A ILE A 56 ? -4.13367 9.27209 19.83228 0.407 5.85640 N ? A ? 57 N 1
   ATOM 1759 CA A ILE A 56 ? -5.22535 10.05001 20.38280 0.407 5.46969 C ? A ? 57 CA 1
   ATOM 1760 C A ILE A 56 ? -5.97208 10.75990 19.24363 0.407 5.28509 C ? A ? 57 C 1
   ATOM 1761 O A ILE A 56 ? -5.40100 11.10656 18.19010 0.407 5.37894 O ? A ? 57 O 1
   ATOM 1762 CB A ILE A 56 ? -4.75241 11.02156 21.47798 0.407 5.80091 C ? A ? 57 CB 1
   ATOM 1763 CG1 A ILE A 56 ? -3.66082 11.95773 20.97934 0.407 5.93643 C ? A ? 57 CG1 1
   ATOM 1764 CG2 A ILE A 56 ? -4.26028 10.25043 22.71216 0.407 6.31193 C ? A ? 57 CG2 1
   ATOM 1765 CD1 A ILE A 56 ? -3.28606 13.03656 21.96569 0.407 6.82291 C ? A ? 57 CD1 1
   ATOM 1766 H A ILE A 56 ? -3.35846 9.45553 20.15633 0.407 7.02768 H ? A ? 57 H 1
   ATOM 1767 HA A ILE A 56 ? -5.85027 9.44849 20.81701 0.407 6.56363 H ? A ? 57 HA 1
   ATOM 1768 HB A ILE A 56 ? -5.51865 11.56375 21.72253 0.407 6.96109 H ? A ? 57 HB 1
   ATOM 1769 HG12 A ILE A 56 ? -2.86397 11.43660 20.79399 0.407 7.12371 H ? A ? 57 HG12 1
   ATOM 1770 HG13 A ILE A 56 ? -3.96911 12.39217 20.16872 0.407 7.12371 H ? A ? 57 HG13 1
   ATOM 1771 HG21 A ILE A 56 ? -4.08778 10.87988 23.42975 0.407 7.57431 H ? A ? 57 HG21 1
   ATOM 1772 HG22 A ILE A 56 ? -4.94467 9.61886 22.98354 0.407 7.57431 H ? A ? 57 HG22 1
   ATOM 1773 HG23 A ILE A 56 ? -3.44491 9.77699 22.48431 0.407 7.57431 H ? A ? 57 HG23 1
   ATOM 1774 HD11 A ILE A 56 ? -2.65577 13.64290 21.54618 0.407 8.18749 H ? A ? 57 HD11 1
   ATOM 1775 HD12 A ILE A 56 ? -4.08652 13.51905 22.22525 0.407 8.18749 H ? A ? 57 HD12 1
   ATOM 1776 HD13 A ILE A 56 ? -2.88061 12.62504 22.74490 0.407 8.18749 H ? A ? 57 HD13 1
   ATOM 1777 N B ILE A 56 ? -4.16848 9.20804 19.83279 0.593 5.63650 N ? A ? 57 N 1
   ATOM 1778 CA B ILE A 56 ? -5.24506 10.01380 20.38884 0.593 5.39018 C ? A ? 57 CA 1
   ATOM 1779 C B ILE A 56 ? -5.94661 10.77520 19.26454 0.593 5.22414 C ? A ? 57 C 1
   ATOM 1780 O B ILE A 56 ? -5.32601 11.24866 18.30407 0.593 5.52724 O ? A ? 57 O 1
   ATOM 1781 CB B ILE A 56 ? -4.75018 10.95363 21.50747 0.593 5.79559 C ? A ? 57 CB 1
   ATOM 1782 CG1 B ILE A 56 ? -3.58436 11.83417 21.07037 0.593 5.76019 C ? A ? 57 CG1 1
   ATOM 1783 CG2 B ILE A 56 ? -4.43639 10.12873 22.73664 0.593 6.09991 C ? A ? 57 CG2 1
   ATOM 1784 CD1 B ILE A 56 ? -3.16712 12.87684 22.09853 0.593 7.35847 C ? A ? 57 CD1 1
   ATOM 1785 H B ILE A 56 ? -3.40244 9.33588 20.20217 0.593 6.76380 H ? A ? 57 H 1
   ATOM 1786 HA B ILE A 56 ? -5.88642 9.41365 20.80041 0.593 6.46821 H ? A ? 57 HA 1
   ATOM 1787 HB B ILE A 56 ? -5.45917 11.58010 21.72140 0.593 6.95471 H ? A ? 57 HB 1
   ATOM 1788 HG12 B ILE A 56 ? -2.81601 11.26780 20.89787 0.593 6.91223 H ? A ? 57 HG12 1
   ATOM 1789 HG13 B ILE A 56 ? -3.83801 12.30477 20.26100 0.593 6.91223 H ? A ? 57 HG13 1
   ATOM 1790 HG21 B ILE A 56 ? -4.31344 10.72336 23.49308 0.593 7.31989 H ? A ? 57 HG21 1
   ATOM 1791 HG22 B ILE A 56 ? -5.17506 9.52384 22.90804 0.593 7.31989 H ? A ? 57 HG22 1
   ATOM 1792 HG23 B ILE A 56 ? -3.62423 9.62254 22.57838 0.593 7.31989 H ? A ? 57 HG23 1
   ATOM 1793 HD11 B ILE A 56 ? -2.50861 13.46727 21.70021 0.593 8.83017 H ? A ? 57 HD11 1
   ATOM 1794 HD12 B ILE A 56 ? -3.94806 13.38563 22.36715 0.593 8.83017 H ? A ? 57 HD12 1
   ATOM 1795 HD13 B ILE A 56 ? -2.78507 12.42640 22.86797 0.593 8.83017 H ? A ? 57 HD13 1
   ATOM 1796 N A ARG A 57 ? -7.27378 10.96067 19.46321 0.407 5.01649 N ? A ? 58 N 1
   ATOM 1797 CA A ARG A 57 ? -8.11941 11.47286 18.38972 0.407 5.44755 C ? A ? 58 CA 1
   ATOM 1798 C A ARG A 57 ? -7.67238 12.84907 17.93939 0.407 5.53802 C ? A ? 58 C 1
   ATOM 1799 O A ARG A 57 ? -7.80435 13.20873 16.75836 0.407 6.28096 O ? A ? 58 O 1
   ATOM 1800 CB A ARG A 57 ? -9.57058 11.52723 18.85295 0.407 7.14685 C ? A ? 58 CB 1
   ATOM 1801 CG A ARG A 57 ? -10.54367 11.78013 17.72989 0.407 7.69852 C ? A ? 58 CG 1
   ATOM 1802 CD A ARG A 57 ? -10.69261 10.55683 16.87663 0.407 11.11847 C ? A ? 58 CD 1
   ATOM 1803 NE A ARG A 57 ? -11.64825 10.77935 15.80902 0.407 13.39440 N ? A ? 58 NE 1
   ATOM 1804 CZ A ARG A 57 ? -12.13434 9.82100 15.03608 0.407 20.55209 C ? A ? 58 CZ 1
   ATOM 1805 NH1 A ARG A 57 ? -11.72770 8.57122 15.15559 0.407 21.11512 N ? A ? 58 NH1 1
   ATOM 1806 NH2 A ARG A 57 ? -13.06087 10.12270 14.12855 0.407 19.48509 N ? A ? 58 NH2 1
   ATOM 1807 H A ARG A 57 ? -7.68004 10.81155 20.20639 0.407 6.01979 H ? A ? 58 H 1
   ATOM 1808 HA A ARG A 57 ? -8.06097 10.86958 17.63239 0.407 6.53706 H ? A ? 58 HA 1
   ATOM 1809 HB2 A ARG A 57 ? -9.80137 10.67873 19.26243 0.407 8.57622 H ? A ? 58 HB2 1
   ATOM 1810 HB3 A ARG A 57 ? -9.66725 12.24447 19.49880 0.407 8.57622 H ? A ? 58 HB3 1
   ATOM 1811 HG2 A ARG A 57 ? -11.41197 12.00777 18.09749 0.407 9.23823 H ? A ? 58 HG2 1
   ATOM 1812 HG3 A ARG A 57 ? -10.21775 12.50586 17.17492 0.407 9.23823 H ? A ? 58 HG3 1
   ATOM 1813 HD2 A ARG A 57 ? -9.83596 10.33360 16.48014 0.407 13.34216 H ? A ? 58 HD2 1
   ATOM 1814 HD3 A ARG A 57 ? -11.00800 9.81931 17.42207 0.407 13.34216 H ? A ? 58 HD3 1
   ATOM 1815 HE A ARG A 57 ? -11.91605 11.58455 15.66923 0.407 16.07328 H ? A ? 58 HE 1
   ATOM 1816 HH11 A ARG A 57 ? -11.13554 8.36616 15.74456 0.407 25.33814 H ? A ? 58 HH11 1
   ATOM 1817 HH12 A ARG A 57 ? -12.05488 7.96184 14.64450 0.407 25.33814 H ? A ? 58 HH12 1
   ATOM 1818 HH21 A ARG A 57 ? -13.33731 10.93320 14.04930 0.407 23.38211 H ? A ? 58 HH21 1
   ATOM 1819 HH22 A ARG A 57 ? -13.38283 9.50706 13.62167 0.407 23.38211 H ? A ? 58 HH22 1
   ATOM 1820 N B ARG A 57 ? -7.27210 10.88999 19.42021 0.593 5.17613 N ? A ? 58 N 1
   ATOM 1821 CA B ARG A 57 ? -8.08820 11.42559 18.33842 0.593 5.66461 C ? A ? 58 CA 1
   ATOM 1822 C B ARG A 57 ? -7.65616 12.83050 17.92448 0.593 5.55029 C ? A ? 58 C 1
   ATOM 1823 O B ARG A 57 ? -7.76052 13.18869 16.73891 0.593 6.21735 O ? A ? 58 O 1
   ATOM 1824 CB B ARG A 57 ? -9.57086 11.37797 18.71385 0.593 6.66004 C ? A ? 58 CB 1
   ATOM 1825 CG B ARG A 57 ? -10.50381 11.61171 17.56567 0.593 6.49014 C ? A ? 58 CG 1
   ATOM 1826 CD B ARG A 57 ? -10.52893 10.44020 16.70510 0.593 11.58030 C ? A ? 58 CD 1
   ATOM 1827 NE B ARG A 57 ? -11.34176 10.70918 15.54065 0.593 9.04872 N ? A ? 58 NE 1
   ATOM 1828 CZ B ARG A 57 ? -11.78749 9.75534 14.74503 0.593 21.72700 C ? A ? 58 CZ 1
   ATOM 1829 NH1 B ARG A 57 ? -11.51583 8.49154 14.98816 0.593 21.32978 N ? A ? 58 NH1 1
   ATOM 1830 NH2 B ARG A 57 ? -12.53497 10.07502 13.69122 0.593 22.90578 N ? A ? 58 NH2 1
   ATOM 1831 H B ARG A 57 ? -7.70838 10.66876 20.12754 0.593 6.21135 H ? A ? 58 H 1
   ATOM 1832 HA B ARG A 57 ? -7.97362 10.85991 17.55882 0.593 6.79753 H ? A ? 58 HA 1
   ATOM 1833 HB2 B ARG A 57 ? -9.76967 10.50232 19.08075 0.593 7.99204 H ? A ? 58 HB2 1
   ATOM 1834 HB3 B ARG A 57 ? -9.74452 12.06321 19.37807 0.593 7.99204 H ? A ? 58 HB3 1
   ATOM 1835 HG2 B ARG A 57 ? -11.40022 11.77297 17.89934 0.593 7.78817 H ? A ? 58 HG2 1
   ATOM 1836 HG3 B ARG A 57 ? -10.20085 12.37336 17.04702 0.593 7.78817 H ? A ? 58 HG3 1
   ATOM 1837 HD2 B ARG A 57 ? -9.62821 10.22675 16.41520 0.593 13.89636 H ? A ? 58 HD2 1
   ATOM 1838 HD3 B ARG A 57 ? -10.90976 9.68843 17.18542 0.593 13.89636 H ? A ? 58 HD3 1
   ATOM 1839 HE B ARG A 57 ? -11.54341 11.52515 15.35862 0.593 10.85846 H ? A ? 58 HE 1
   ATOM 1840 HH11 B ARG A 57 ? -11.04191 8.27766 15.67319 0.593 25.59574 H ? A ? 58 HH11 1
   ATOM 1841 HH12 B ARG A 57 ? -11.81214 7.87911 14.46211 0.593 25.59574 H ? A ? 58 HH12 1
   ATOM 1842 HH21 B ARG A 57 ? -12.72453 10.89871 13.53247 0.593 27.48693 H ? A ? 58 HH21 1
   ATOM 1843 HH22 B ARG A 57 ? -12.82839 9.45790 13.16905 0.593 27.48693 H ? A ? 58 HH22 1
   ATOM 1844 N . GLY A 58 ? -7.14424 13.64551 18.85118 1.000 6.32528 N ? A ? 59 N 1
   ATOM 1845 CA . GLY A 58 ? -6.66723 14.96900 18.43583 1.000 7.01633 C ? A ? 59 CA 1
   ATOM 1846 C . GLY A 58 ? -5.54555 14.90633 17.40918 1.000 5.76412 C ? A ? 59 C 1
   ATOM 1847 O . GLY A 58 ? -5.43359 15.80222 16.57132 1.000 6.56514 O ? A ? 59 O 1
   ATOM 1848 HA2 . GLY A 58 ? -7.40489 15.46535 18.04803 1.000 8.41959 H ? A ? 59 HA2 1
   ATOM 1849 HA3 . GLY A 58 ? -6.33917 15.44701 19.21351 1.000 8.41959 H ? A ? 59 HA3 1
   ATOM 1850 H A GLY A 58 ? -7.05004 13.45995 19.68562 0.407 7.59034 H ? A ? 59 H 1
   ATOM 1851 H B GLY A 58 ? -7.06478 13.46616 19.68851 0.593 7.59034 H ? A ? 59 H 1
   ATOM 1852 N A TRP A 59 ? -4.68437 13.87098 17.44827 0.724 7.49617 N ? A ? 60 N 1
   ATOM 1853 CA A TRP A 59 ? -3.71316 13.64500 16.33304 0.724 6.72508 C ? A ? 60 CA 1
   ATOM 1854 C A TRP A 59 ? -4.39762 13.13144 15.08685 0.724 7.97591 C ? A ? 60 C 1
   ATOM 1855 O A TRP A 59 ? -4.06981 13.52881 13.97198 0.724 8.78581 O ? A ? 60 O 1
   ATOM 1856 CB A TRP A 59 ? -2.63996 12.60590 16.72687 0.724 6.91879 C ? A ? 60 CB 1
   ATOM 1857 CG A TRP A 59 ? -1.45693 13.15552 17.47902 0.724 7.35510 C ? A ? 60 CG 1
   ATOM 1858 CD1 A TRP A 59 ? -1.44995 13.90835 18.62053 0.724 7.23589 C ? A ? 60 CD1 1
   ATOM 1859 CD2 A TRP A 59 ? -0.09711 12.99916 17.11802 0.724 5.11772 C ? A ? 60 CD2 1
   ATOM 1860 NE1 A TRP A 59 ? -0.17280 14.24135 18.97504 0.724 7.44891 N ? A ? 60 NE1 1
   ATOM 1861 CE2 A TRP A 59 ? 0.68186 13.68217 18.06881 0.724 5.59614 C ? A ? 60 CE2 1
   ATOM 1862 CE3 A TRP A 59 ? 0.55752 12.32663 16.07662 0.724 5.12555 C ? A ? 60 CE3 1
   ATOM 1863 CZ2 A TRP A 59 ? 2.07291 13.71548 18.01382 0.724 6.34321 C ? A ? 60 CZ2 1
   ATOM 1864 CZ3 A TRP A 59 ? 1.92362 12.34888 16.02430 0.724 5.77148 C ? A ? 60 CZ3 1
   ATOM 1865 CH2 A TRP A 59 ? 2.67584 13.04213 16.97561 0.724 6.44839 C ? A ? 60 CH2 1
   ATOM 1866 H A TRP A 59 ? -4.63538 13.29597 18.08589 0.724 8.99540 H ? A ? 60 H 1
   ATOM 1867 HA A TRP A 59 ? -3.29190 14.50102 16.15794 0.724 8.07010 H ? A ? 60 HA 1
   ATOM 1868 HB2 A TRP A 59 ? -3.05578 11.93566 17.29148 0.724 8.30255 H ? A ? 60 HB2 1
   ATOM 1869 HB3 A TRP A 59 ? -2.30155 12.19359 15.91670 0.724 8.30255 H ? A ? 60 HB3 1
   ATOM 1870 HD1 A TRP A 59 ? -2.21126 14.15971 19.09185 0.724 8.68307 H ? A ? 60 HD1 1
   ATOM 1871 HE1 A TRP A 59 ? 0.05361 14.72059 19.65229 0.724 8.93869 H ? A ? 60 HE1 1
   ATOM 1872 HE3 A TRP A 59 ? 0.06883 11.87116 15.42961 0.724 6.15066 H ? A ? 60 HE3 1
   ATOM 1873 HZ2 A TRP A 59 ? 2.57285 14.17279 18.65086 0.724 7.61185 H ? A ? 60 HZ2 1
   ATOM 1874 HZ3 A TRP A 59 ? 2.36088 11.89327 15.34157 0.724 6.92578 H ? A ? 60 HZ3 1
   ATOM 1875 HH2 A TRP A 59 ? 3.60321 13.04887 16.90606 0.724 7.73807 H ? A ? 60 HH2 1
   ATOM 1876 N B TRP A 59 ? -4.67156 13.90685 17.52348 0.276 7.20870 N ? A ? 60 N 1
   ATOM 1877 CA B TRP A 59 ? -3.65760 13.69826 16.48628 0.276 7.66801 C ? A ? 60 CA 1
   ATOM 1878 C B TRP A 59 ? -4.29100 13.24654 15.18292 0.276 7.92981 C ? A ? 60 C 1
   ATOM 1879 O B TRP A 59 ? -3.88840 13.69274 14.11008 0.276 8.66420 O ? A ? 60 O 1
   ATOM 1880 CB B TRP A 59 ? -2.64900 12.63005 16.91347 0.276 8.40531 C ? A ? 60 CB 1
   ATOM 1881 CG B TRP A 59 ? -1.43067 13.17084 17.53779 0.276 7.12538 C ? A ? 60 CG 1
   ATOM 1882 CD1 B TRP A 59 ? -1.35568 14.00011 18.61252 0.276 6.80283 C ? A ? 60 CD1 1
   ATOM 1883 CD2 B TRP A 59 ? -0.08919 12.90806 17.13977 0.276 5.29447 C ? A ? 60 CD2 1
   ATOM 1884 NE1 B TRP A 59 ? -0.04706 14.28580 18.90328 0.276 7.06735 N ? A ? 60 NE1 1
   ATOM 1885 CE2 B TRP A 59 ? 0.75261 13.61698 18.01585 0.276 6.02711 C ? A ? 60 CE2 1
   ATOM 1886 CE3 B TRP A 59 ? 0.49252 12.13507 16.12355 0.276 5.18919 C ? A ? 60 CE3 1
   ATOM 1887 CZ2 B TRP A 59 ? 2.13692 13.58172 17.91431 0.276 6.41569 C ? A ? 60 CZ2 1
   ATOM 1888 CZ3 B TRP A 59 ? 1.85975 12.09759 16.02380 0.276 4.81283 C ? A ? 60 CZ3 1
   ATOM 1889 CH2 B TRP A 59 ? 2.67359 12.81375 16.91084 0.276 5.49199 C ? A ? 60 CH2 1
   ATOM 1890 H B TRP A 59 ? -4.64277 13.34688 18.17555 0.276 8.65044 H ? A ? 60 H 1
   ATOM 1891 HA B TRP A 59 ? -3.19600 14.54202 16.36019 0.276 9.20161 H ? A ? 60 HA 1
   ATOM 1892 HB2 B TRP A 59 ? -3.07356 12.04139 17.55700 0.276 10.08637 H ? A ? 60 HB2 1
   ATOM 1893 HB3 B TRP A 59 ? -2.37968 12.12580 16.12982 0.276 10.08637 H ? A ? 60 HB3 1
   ATOM 1894 HD1 B TRP A 59 ? -2.08803 14.32699 19.08337 0.276 8.16339 H ? A ? 60 HD1 1
   ATOM 1895 HE1 B TRP A 59 ? 0.22594 14.79914 19.53696 0.276 8.48082 H ? A ? 60 HE1 1
   ATOM 1896 HE3 B TRP A 59 ? -0.03913 11.65707 15.52876 0.276 6.22702 H ? A ? 60 HE3 1
   ATOM 1897 HZ2 B TRP A 59 ? 2.67799 14.05845 18.50157 0.276 7.69883 H ? A ? 60 HZ2 1
   ATOM 1898 HZ3 B TRP A 59 ? 2.25426 11.58678 15.35422 0.276 5.77539 H ? A ? 60 HZ3 1
   ATOM 1899 HH2 B TRP A 59 ? 3.59781 12.76799 16.81796 0.276 6.59039 H ? A ? 60 HH2 1
   ATOM 1900 N A GLU A 60 ? -5.31729 12.19354 15.27475 0.698 9.12133 N ? A ? 61 N 1
   ATOM 1901 CA A GLU A 60 ? -6.05820 11.60637 14.15494 0.698 10.16940 C ? A ? 61 CA 1
   ATOM 1902 C A GLU A 60 ? -6.68519 12.69915 13.28964 0.698 8.99066 C ? A ? 61 C 1
   ATOM 1903 O A GLU A 60 ? -6.64881 12.61737 12.05979 0.698 10.07252 O ? A ? 61 O 1
   ATOM 1904 CB A GLU A 60 ? -7.12089 10.67720 14.72527 0.698 9.57937 C ? A ? 61 CB 1
   ATOM 1905 CG A GLU A 60 ? -7.86197 9.89814 13.69009 0.698 12.32069 C ? A ? 61 CG 1
   ATOM 1906 CD A GLU A 60 ? -7.18124 8.59431 13.32856 0.698 9.30428 C ? A ? 61 CD 1
   ATOM 1907 OE1 A GLU A 60 ? -6.48626 7.98943 14.17454 0.698 10.80488 O ? A ? 61 OE1 1
   ATOM 1908 OE2 A GLU A 60 ? -7.39546 8.16616 12.18787 0.698 12.91211 O ? A ? 61 OE2 1
   ATOM 1909 H A GLU A 60 ? -5.53651 11.87419 16.04257 0.724 10.94560 H ? A ? 61 H 1
   ATOM 1910 HA A GLU A 60 ? -5.46732 11.08975 13.58497 0.698 12.20328 H ? A ? 61 HA 1
   ATOM 1911 HB2 A GLU A 60 ? -6.69249 10.04337 15.32162 0.698 11.49525 H ? A ? 61 HB2 1
   ATOM 1912 HB3 A GLU A 60 ? -7.76819 11.20824 15.21506 0.698 11.49525 H ? A ? 61 HB3 1
   ATOM 1913 HG2 A GLU A 60 ? -8.74734 9.68942 14.02693 0.698 14.78483 H ? A ? 61 HG2 1
   ATOM 1914 HG3 A GLU A 60 ? -7.93134 10.43250 12.88353 0.698 14.78483 H ? A ? 61 HG3 1
   ATOM 1915 N B GLU A 60 ? -5.24552 12.31277 15.26351 0.302 8.87478 N ? A ? 61 N 1
   ATOM 1916 CA B GLU A 60 ? -5.92344 11.79916 14.07251 0.302 10.82490 C ? A ? 61 CA 1
   ATOM 1917 C B GLU A 60 ? -6.56291 12.93550 13.28125 0.302 9.10993 C ? A ? 61 C 1
   ATOM 1918 O B GLU A 60 ? -6.40684 13.02113 12.05833 0.302 12.25423 O ? A ? 61 O 1
   ATOM 1919 CB B GLU A 60 ? -6.97323 10.76764 14.50437 0.302 11.25217 C ? A ? 61 CB 1
   ATOM 1920 CG B GLU A 60 ? -7.69691 10.04859 13.38467 0.302 13.26559 C ? A ? 61 CG 1
   ATOM 1921 CD B GLU A 60 ? -7.27655 8.59855 13.24612 0.302 11.11933 C ? A ? 61 CD 1
   ATOM 1922 OE1 B GLU A 60 ? -6.33581 8.15498 13.93842 0.302 9.70987 O ? A ? 61 OE1 1
   ATOM 1923 OE2 B GLU A 60 ? -7.92388 7.90053 12.44581 0.302 11.66221 O ? A ? 61 OE2 1
   ATOM 1924 H B GLU A 60 ? -5.51918 11.95976 15.99842 0.276 10.64973 H ? A ? 61 H 1
   ATOM 1925 HA B GLU A 60 ? -5.28277 11.36072 13.49095 0.302 12.98988 H ? A ? 61 HA 1
   ATOM 1926 HB2 B GLU A 60 ? -6.53081 10.09114 15.04056 0.302 13.50261 H ? A ? 61 HB2 1
   ATOM 1927 HB3 B GLU A 60 ? -7.64592 11.22334 15.03420 0.302 13.50261 H ? A ? 61 HB3 1
   ATOM 1928 HG2 B GLU A 60 ? -8.65046 10.06823 13.56146 0.302 15.91871 H ? A ? 61 HG2 1
   ATOM 1929 HG3 B GLU A 60 ? -7.50566 10.49712 12.54613 0.302 15.91871 H ? A ? 61 HG3 1
   ATOM 1930 N A GLU A 61 ? -7.26448 13.72582 13.91929 0.573 6.12517 N ? A ? 62 N 1
   ATOM 1931 CA A GLU A 61 ? -7.88397 14.85728 13.25742 0.573 7.85060 C ? A ? 62 CA 1
   ATOM 1932 C A GLU A 61 ? -6.90750 15.99145 12.91358 0.573 7.74076 C ? A ? 62 C 1
   ATOM 1933 O A GLU A 61 ? -7.06587 16.62984 11.86211 0.573 8.57835 O ? A ? 62 O 1
   ATOM 1934 CB A GLU A 61 ? -9.03203 15.38688 14.10358 0.573 9.23886 C ? A ? 62 CB 1
   ATOM 1935 CG A GLU A 61 ? -10.06559 14.33706 14.44794 0.573 10.43868 C ? A ? 62 CG 1
   ATOM 1936 CD A GLU A 61 ? -10.60338 13.61283 13.24011 0.573 13.27606 C ? A ? 62 CD 1
   ATOM 1937 OE1 A GLU A 61 ? -10.96634 14.28145 12.24546 0.573 16.22895 O ? A ? 62 OE1 1
   ATOM 1938 OE2 A GLU A 61 ? -10.67151 12.36809 13.30549 0.573 17.89690 O ? A ? 62 OE2 1
   ATOM 1939 H A GLU A 61 ? -7.31014 13.78649 14.77593 0.698 7.35021 H ? A ? 62 H 1
   ATOM 1940 HA A GLU A 61 ? -8.24570 14.54562 12.41308 0.573 9.42072 H ? A ? 62 HA 1
   ATOM 1941 HB2 A GLU A 61 ? -8.67296 15.73382 14.93521 0.573 11.08664 H ? A ? 62 HB2 1
   ATOM 1942 HB3 A GLU A 61 ? -9.47975 16.09492 13.61456 0.573 11.08664 H ? A ? 62 HB3 1
   ATOM 1943 HG2 A GLU A 61 ? -9.66136 13.67867 15.03448 0.573 12.52642 H ? A ? 62 HG2 1
   ATOM 1944 HG3 A GLU A 61 ? -10.81207 14.76579 14.89499 0.573 12.52642 H ? A ? 62 HG3 1
   ATOM 1945 N B GLU A 61 ? -7.28346 13.82418 13.96731 0.161 7.02633 N ? A ? 62 N 1
   ATOM 1946 CA B GLU A 61 ? -7.99174 14.89472 13.29008 0.161 8.11066 C ? A ? 62 CA 1
   ATOM 1947 C B GLU A 61 ? -7.08037 16.06219 12.94658 0.161 7.83437 C ? A ? 62 C 1
   ATOM 1948 O B GLU A 61 ? -7.38667 16.82581 12.01787 0.161 8.12121 O ? A ? 62 O 1
   ATOM 1949 CB B GLU A 61 ? -9.12121 15.40601 14.17338 0.161 9.53944 C ? A ? 62 CB 1
   ATOM 1950 CG B GLU A 61 ? -10.18881 14.38756 14.45057 0.161 11.14259 C ? A ? 62 CG 1
   ATOM 1951 CD B GLU A 61 ? -11.05146 14.10390 13.24235 0.161 15.01994 C ? A ? 62 CD 1
   ATOM 1952 OE1 B GLU A 61 ? -11.16713 14.97396 12.34998 0.161 14.22216 O ? A ? 62 OE1 1
   ATOM 1953 OE2 B GLU A 61 ? -11.62633 13.00152 13.20323 0.161 17.26759 O ? A ? 62 OE2 1
   ATOM 1954 H B GLU A 61 ? -7.37467 13.82469 14.82246 0.302 8.43159 H ? A ? 62 H 1
   ATOM 1955 HA B GLU A 61 ? -8.36390 14.53883 12.46805 0.161 9.73279 H ? A ? 62 HA 1
   ATOM 1956 HB2 B GLU A 61 ? -8.74876 15.68239 15.02531 0.161 11.44732 H ? A ? 62 HB2 1
   ATOM 1957 HB3 B GLU A 61 ? -9.54144 16.16191 13.73414 0.161 11.44732 H ? A ? 62 HB3 1
   ATOM 1958 HG2 B GLU A 61 ? -9.76987 13.55596 14.72230 0.161 13.37110 H ? A ? 62 HG2 1
   ATOM 1959 HG3 B GLU A 61 ? -10.76357 14.71656 15.15931 0.161 13.37110 H ? A ? 62 HG3 1
   ATOM 1960 N D GLU A 61 ? -6.97253 13.86401 14.00766 0.266 7.36847 N ? A ? 62 N 1
   ATOM 1961 CA D GLU A 61 ? -7.77759 14.82024 13.25196 0.266 8.35924 C ? A ? 62 CA 1
   ATOM 1962 C D GLU A 61 ? -6.95157 16.06651 12.94908 0.266 7.81634 C ? A ? 62 C 1
   ATOM 1963 O D GLU A 61 ? -7.27013 16.82966 12.02886 0.266 8.19622 O ? A ? 62 O 1
   ATOM 1964 CB D GLU A 61 ? -9.04780 15.19196 14.01457 0.266 9.01796 C ? A ? 62 CB 1
   ATOM 1965 CG D GLU A 61 ? -10.00094 14.02503 14.21291 0.266 10.02555 C ? A ? 62 CG 1
   ATOM 1966 CD D GLU A 61 ? -11.31467 14.42207 14.85274 0.266 12.49289 C ? A ? 62 CD 1
   ATOM 1967 OE1 D GLU A 61 ? -11.45851 15.58590 15.27439 0.266 13.91236 O ? A ? 62 OE1 1
   ATOM 1968 OE2 D GLU A 61 ? -12.21003 13.55930 14.92295 0.266 15.24006 O ? A ? 62 OE2 1
   ATOM 1969 HA D GLU A 61 ? -8.05734 14.41937 12.41413 0.266 10.03109 H ? A ? 62 HA 1
   ATOM 1970 HB2 D GLU A 61 ? -8.79983 15.52513 14.89116 0.266 10.82155 H ? A ? 62 HB2 1
   ATOM 1971 HB3 D GLU A 61 ? -9.51957 15.87986 13.51946 0.266 10.82155 H ? A ? 62 HB3 1
   ATOM 1972 HG2 D GLU A 61 ? -10.19851 13.63133 13.34869 0.266 12.03066 H ? A ? 62 HG2 1
   ATOM 1973 HG3 D GLU A 61 ? -9.57720 13.36841 14.78753 0.266 12.03066 H ? A ? 62 HG3 1
   ATOM 1974 N A GLY A 62 ? -5.92258 16.28293 13.76398 0.606 7.19717 N ? A ? 63 N 1
   ATOM 1975 CA A GLY A 62 ? -4.99769 17.37066 13.53123 0.606 6.40052 C ? A ? 63 CA 1
   ATOM 1976 C A GLY A 62 ? -3.99534 17.09879 12.43669 0.606 6.35287 C ? A ? 63 C 1
   ATOM 1977 O A GLY A 62 ? -3.81774 17.92598 11.54339 0.606 6.77969 O ? A ? 63 O 1
   ATOM 1978 H A GLY A 62 ? -5.77272 15.85337 14.49379 0.573 8.63661 H ? A ? 63 H 1
   ATOM 1979 HA2 A GLY A 62 ? -5.49973 18.16384 13.28685 0.606 7.68063 H ? A ? 63 HA2 1
   ATOM 1980 HA3 A GLY A 62 ? -4.50700 17.54704 14.34916 0.606 7.68063 H ? A ? 63 HA3 1
   ATOM 1981 N B GLY A 62 ? -5.97524 16.21819 13.66970 0.394 6.99499 N ? A ? 63 N 1
   ATOM 1982 CA B GLY A 62 ? -5.08740 17.34913 13.48879 0.394 6.62395 C ? A ? 63 CA 1
   ATOM 1983 C B GLY A 62 ? -4.02532 17.11639 12.44027 0.394 6.31506 C ? A ? 63 C 1
   ATOM 1984 O B GLY A 62 ? -3.81009 17.96280 11.56558 0.394 6.86036 O ? A ? 63 O 1
   ATOM 1985 H B GLY A 62 ? -5.71712 15.67092 14.28082 0.161 8.39398 H ? A ? 63 H 1
   ATOM 1986 HA2 B GLY A 62 ? -5.60927 18.12234 13.22290 0.394 7.94873 H ? A ? 63 HA2 1
   ATOM 1987 HA3 B GLY A 62 ? -4.64386 17.54149 14.32972 0.394 7.94873 H ? A ? 63 HA3 1
   ATOM 1988 N D GLY A 62 ? -5.88909 16.25946 13.72234 0.000 7.21302 N ? A ? 63 N 1
   ATOM 1989 CA D GLY A 62 ? -4.99260 17.38114 13.53517 0.000 6.65820 C ? A ? 63 CA 1
   ATOM 1990 C D GLY A 62 ? -3.96927 17.13610 12.44733 0.000 6.47873 C ? A ? 63 C 1
   ATOM 1991 O D GLY A 62 ? -3.76581 17.98654 11.57607 0.000 6.94625 O ? A ? 63 O 1
   ATOM 1992 H D GLY A 62 ? -5.66534 15.74325 14.37278 0.266 8.65562 H ? A ? 63 H 1
   ATOM 1993 HA2 D GLY A 62 ? -5.50907 18.16660 13.29601 0.000 7.98984 H ? A ? 63 HA2 1
   ATOM 1994 HA3 D GLY A 62 ? -4.51999 17.55437 14.36435 0.000 7.98984 H ? A ? 63 HA3 1
   ATOM 1995 N A VAL A 63 ? -3.32109 15.94682 12.49851 0.649 6.66334 N ? A ? 64 N 1
   ATOM 1996 CA A VAL A 63 ? -2.33865 15.64691 11.46497 0.649 7.11172 C ? A ? 64 CA 1
   ATOM 1997 C A VAL A 63 ? -2.99963 15.47851 10.10405 0.649 7.10152 C ? A ? 64 C 1
   ATOM 1998 O A VAL A 63 ? -2.39333 15.80884 9.06774 0.649 7.68006 O ? A ? 64 O 1
   ATOM 1999 CB A VAL A 63 ? -1.44811 14.44768 11.88187 0.649 7.57372 C ? A ? 64 CB 1
   ATOM 2000 CG1 A VAL A 63 ? -0.45330 14.11506 10.78925 0.649 8.36948 C ? A ? 64 CG1 1
   ATOM 2001 CG2 A VAL A 63 ? -0.71753 14.75186 13.19557 0.649 8.80393 C ? A ? 64 CG2 1
   ATOM 2002 H A VAL A 63 ? -3.41278 15.34629 13.10724 0.606 7.99601 H ? A ? 64 H 1
   ATOM 2003 HA A VAL A 63 ? -1.74230 16.40697 11.37791 0.649 8.53406 H ? A ? 64 HA 1
   ATOM 2004 HB A VAL A 63 ? -2.01562 13.67331 12.02037 0.649 9.08846 H ? A ? 64 HB 1
   ATOM 2005 HG11 A VAL A 63 ? 0.14795 13.42437 11.10916 0.649 10.04338 H ? A ? 64 HG11 1
   ATOM 2006 HG12 A VAL A 63 ? -0.93513 13.79880 10.00905 0.649 10.04338 H ? A ? 64 HG12 1
   ATOM 2007 HG13 A VAL A 63 ? 0.04955 14.91397 10.56611 0.649 10.04338 H ? A ? 64 HG13 1
   ATOM 2008 HG21 A VAL A 63 ? -0.11599 14.01873 13.39947 0.649 10.56472 H ? A ? 64 HG21 1
   ATOM 2009 HG22 A VAL A 63 ? -0.21376 15.57450 13.09361 0.649 10.56472 H ? A ? 64 HG22 1
   ATOM 2010 HG23 A VAL A 63 ? -1.37151 14.85026 13.90516 0.649 10.56472 H ? A ? 64 HG23 1
   ATOM 2011 N B VAL A 63 ? -3.33965 15.96884 12.52344 0.351 6.83773 N ? A ? 64 N 1
   ATOM 2012 CA B VAL A 63 ? -2.30396 15.67437 11.53676 0.351 7.05579 C ? A ? 64 CA 1
   ATOM 2013 C B VAL A 63 ? -2.91698 15.45737 10.16241 0.351 7.10174 C ? A ? 64 C 1
   ATOM 2014 O B VAL A 63 ? -2.24612 15.67733 9.14204 0.351 7.25051 O ? A ? 64 O 1
   ATOM 2015 CB B VAL A 63 ? -1.42001 14.48413 11.97626 0.351 7.60481 C ? A ? 64 CB 1
   ATOM 2016 CG1 B VAL A 63 ? -0.31205 14.21810 10.95299 0.351 8.16328 C ? A ? 64 CG1 1
   ATOM 2017 CG2 B VAL A 63 ? -0.80376 14.75539 13.33711 0.351 8.89121 C ? A ? 64 CG2 1
   ATOM 2018 H B VAL A 63 ? -3.45379 15.36445 13.12451 0.394 8.20528 H ? A ? 64 H 1
   ATOM 2019 HA B VAL A 63 ? -1.71927 16.44646 11.48286 0.351 8.46695 H ? A ? 64 HA 1
   ATOM 2020 HB B VAL A 63 ? -1.98058 13.69468 12.03499 0.351 9.12577 H ? A ? 64 HB 1
   ATOM 2021 HG11 B VAL A 63 ? 0.29929 13.55721 11.31410 0.351 9.79594 H ? A ? 64 HG11 1
   ATOM 2022 HG12 B VAL A 63 ? -0.71175 13.88627 10.13383 0.351 9.79594 H ? A ? 64 HG12 1
   ATOM 2023 HG13 B VAL A 63 ? 0.16173 15.04624 10.77803 0.351 9.79594 H ? A ? 64 HG13 1
   ATOM 2024 HG21 B VAL A 63 ? -0.18482 14.04002 13.55177 0.351 10.66945 H ? A ? 64 HG21 1
   ATOM 2025 HG22 B VAL A 63 ? -0.33247 15.60267 13.30714 0.351 10.66945 H ? A ? 64 HG22 1
   ATOM 2026 HG23 B VAL A 63 ? -1.50944 14.79273 14.00158 0.351 10.66945 H ? A ? 64 HG23 1
   ATOM 2027 N D VAL A 63 ? -3.31491 15.97347 12.48666 0.000 6.95168 N ? A ? 64 N 1
   ATOM 2028 CA D VAL A 63 ? -2.32008 15.65849 11.46682 0.000 7.13640 C ? A ? 64 CA 1
   ATOM 2029 C D VAL A 63 ? -2.97414 15.50777 10.09917 0.000 7.06349 C ? A ? 64 C 1
   ATOM 2030 O D VAL A 63 ? -2.36424 15.83517 9.07412 0.000 7.67434 O ? A ? 64 O 1
   ATOM 2031 CB D VAL A 63 ? -1.50899 14.41314 11.87114 0.000 7.56324 C ? A ? 64 CB 1
   ATOM 2032 CG1 D VAL A 63 ? -0.58882 13.98368 10.73893 0.000 8.59529 C ? A ? 64 CG1 1
   ATOM 2033 CG2 D VAL A 63 ? -0.70686 14.69472 13.13497 0.000 8.43485 C ? A ? 64 CG2 1
   ATOM 2034 H D VAL A 63 ? -3.42724 15.36306 13.08196 0.000 8.34201 H ? A ? 64 H 1
   ATOM 2035 HA D VAL A 63 ? -1.69661 16.39904 11.40538 0.000 8.56368 H ? A ? 64 HA 1
   ATOM 2036 HB D VAL A 63 ? -2.12150 13.68341 12.05343 0.000 9.07589 H ? A ? 64 HB 1
   ATOM 2037 HG11 D VAL A 63 ? 0.05946 13.34907 11.08231 0.000 10.31435 H ? A ? 64 HG11 1
   ATOM 2038 HG12 D VAL A 63 ? -1.11946 13.56936 10.04061 0.000 10.31435 H ? A ? 64 HG12 1
   ATOM 2039 HG13 D VAL A 63 ? -0.13324 14.76509 10.38858 0.000 10.31435 H ? A ? 64 HG13 1
   ATOM 2040 HG21 D VAL A 63 ? -0.19553 13.90384 13.36725 0.000 10.12182 H ? A ? 64 HG21 1
   ATOM 2041 HG22 D VAL A 63 ? -0.10756 15.43923 12.96933 0.000 10.12182 H ? A ? 64 HG22 1
   ATOM 2042 HG23 D VAL A 63 ? -1.31856 14.91623 13.85445 0.000 10.12182 H ? A ? 64 HG23 1
   ATOM 2043 N A ALA A 64 ? -4.25771 15.02112 10.06248 0.641 7.60787 N ? A ? 65 N 1
   ATOM 2044 CA A ALA A 64 ? -4.97101 14.91919 8.78083 0.641 8.47548 C ? A ? 65 CA 1
   ATOM 2045 C A ALA A 64 ? -5.12826 16.27108 8.09384 0.641 8.58249 C ? A ? 65 C 1
   ATOM 2046 O A ALA A 64 ? -5.36551 16.31098 6.87482 0.641 9.08974 O ? A ? 65 O 1
   ATOM 2047 CB A ALA A 64 ? -6.34672 14.30539 9.02163 0.641 9.96095 C ? A ? 65 CB 1
   ATOM 2048 H A ALA A 64 ? -4.71245 14.76826 10.74722 0.649 9.12944 H ? A ? 65 H 1
   ATOM 2049 HA A ALA A 64 ? -4.46822 14.34255 8.18452 0.641 10.17058 H ? A ? 65 HA 1
   ATOM 2050 HB1 A ALA A 64 ? -6.82246 14.25570 8.17777 0.641 11.95314 H ? A ? 65 HB1 1
   ATOM 2051 HB2 A ALA A 64 ? -6.23520 13.41558 9.39137 0.641 11.95314 H ? A ? 65 HB2 1
   ATOM 2052 HB3 A ALA A 64 ? -6.83686 14.86370 9.64530 0.641 11.95314 H ? A ? 65 HB3 1
   ATOM 2053 N B ALA A 64 ? -4.18983 15.03607 10.10051 0.359 7.75270 N ? A ? 65 N 1
   ATOM 2054 CA B ALA A 64 ? -4.87195 14.89995 8.81068 0.359 8.69211 C ? A ? 65 CA 1
   ATOM 2055 C B ALA A 64 ? -5.05723 16.24342 8.10319 0.359 8.77361 C ? A ? 65 C 1
   ATOM 2056 O B ALA A 64 ? -5.24601 16.25521 6.88047 0.359 9.15715 O ? A ? 65 O 1
   ATOM 2057 CB B ALA A 64 ? -6.23874 14.22394 8.97924 0.359 10.08988 C ? A ? 65 CB 1
   ATOM 2058 H B ALA A 64 ? -4.67106 14.82652 10.78176 0.351 9.30324 H ? A ? 65 H 1
   ATOM 2059 HA B ALA A 64 ? -4.32507 14.32881 8.24887 0.359 10.43053 H ? A ? 65 HA 1
   ATOM 2060 HB1 B ALA A 64 ? -6.66695 14.15668 8.11148 0.359 12.10786 H ? A ? 65 HB1 1
   ATOM 2061 HB2 B ALA A 64 ? -6.10912 13.33855 9.35365 0.359 12.10786 H ? A ? 65 HB2 1
   ATOM 2062 HB3 B ALA A 64 ? -6.78422 14.75911 9.57669 0.359 12.10786 H ? A ? 65 HB3 1
   ATOM 2063 N D ALA A 64 ? -4.21883 15.02638 10.05271 0.000 7.81317 N ? A ? 65 N 1
   ATOM 2064 CA D ALA A 64 ? -4.92423 14.91221 8.78114 0.000 8.45013 C ? A ? 65 CA 1
   ATOM 2065 C D ALA A 64 ? -5.11848 16.26325 8.09990 0.000 8.73875 C ? A ? 65 C 1
   ATOM 2066 O D ALA A 64 ? -5.36651 16.30538 6.89180 0.000 9.00891 O ? A ? 65 O 1
   ATOM 2067 CB D ALA A 64 ? -6.27935 14.23510 8.99541 0.000 10.09698 C ? A ? 65 CB 1
   ATOM 2068 H D ALA A 64 ? -4.66954 14.76285 10.73610 0.000 9.37580 H ? A ? 65 H 1
   ATOM 2069 HA D ALA A 64 ? -4.39949 14.35517 8.18510 0.000 10.14016 H ? A ? 65 HA 1
   ATOM 2070 HB1 D ALA A 64 ? -6.73667 14.16695 8.14270 0.000 12.11638 H ? A ? 65 HB1 1
   ATOM 2071 HB2 D ALA A 64 ? -6.13517 13.34998 9.36511 0.000 12.11638 H ? A ? 65 HB2 1
   ATOM 2072 HB3 D ALA A 64 ? -6.80535 14.76908 9.61111 0.000 12.11638 H ? A ? 65 HB3 1
   ATOM 2073 N . GLN A 65 ? -5.01375 17.36025 8.85214 1.000 7.84325 N ? A ? 66 N 1
   ATOM 2074 CA . GLN A 65 ? -5.12477 18.70173 8.30675 1.000 8.41128 C ? A ? 66 CA 1
   ATOM 2075 C . GLN A 65 ? -3.78956 19.30861 7.93937 1.000 8.19530 C ? A ? 66 C 1
   ATOM 2076 O . GLN A 65 ? -3.74984 20.46093 7.54131 1.000 11.17416 O ? A ? 66 O 1
   ATOM 2077 CB . GLN A 65 ? -5.82809 19.60907 9.32634 1.000 7.66840 C ? A ? 66 CB 1
   ATOM 2078 CG . GLN A 65 ? -7.24973 19.15441 9.60558 1.000 8.50373 C ? A ? 66 CG 1
   ATOM 2079 CD . GLN A 65 ? -7.93648 20.03470 10.58192 1.000 8.49751 C ? A ? 66 CD 1
   ATOM 2080 OE1 . GLN A 65 ? -8.31634 21.17688 10.24538 1.000 12.04574 O ? A ? 66 OE1 1
   ATOM 2081 NE2 . GLN A 65 ? -8.14662 19.56028 11.80427 1.000 8.00194 N ? A ? 66 NE2 1
   ATOM 2082 HA . GLN A 65 ? -5.66093 18.66505 7.49923 1.000 10.09354 H ? A ? 66 HA 1
   ATOM 2083 HB2 . GLN A 65 ? -5.33449 19.59286 10.16120 1.000 9.20208 H ? A ? 66 HB2 1
   ATOM 2084 HB3 . GLN A 65 ? -5.86141 20.51381 8.97815 1.000 9.20208 H ? A ? 66 HB3 1
   ATOM 2085 HG2 . GLN A 65 ? -7.75632 19.16679 8.77847 1.000 10.20447 H ? A ? 66 HG2 1
   ATOM 2086 HG3 . GLN A 65 ? -7.23090 18.25553 9.96967 1.000 10.20447 H ? A ? 66 HG3 1
   ATOM 2087 HE21 . GLN A 65 ? -7.88689 18.76610 12.00782 1.000 9.60232 H ? A ? 66 HE21 1
   ATOM 2088 HE22 . GLN A 65 ? -8.54243 20.04720 12.39235 1.000 9.60232 H ? A ? 66 HE22 1
   ATOM 2089 H A GLN A 65 ? -4.86909 17.34277 9.69971 0.641 9.41190 H ? A ? 66 H 1
   ATOM 2090 H B GLN A 65 ? -4.91698 17.35424 9.70666 0.359 9.41190 H ? A ? 66 H 1
   ATOM 2091 H D GLN A 65 ? -4.87506 17.34798 9.70079 0.000 9.41190 H ? A ? 66 H 1
   ATOM 2092 N A MET A 66 ? -2.70626 18.55414 8.07602 0.508 6.90229 N ? A ? 67 N 1
   ATOM 2093 CA A MET A 66 ? -1.35350 19.00383 7.76794 0.508 6.63158 C ? A ? 67 CA 1
   ATOM 2094 C A MET A 66 ? -0.90875 18.40675 6.43966 0.508 5.17290 C ? A ? 67 C 1
   ATOM 2095 O A MET A 66 ? -1.23577 17.25945 6.12864 0.508 6.83076 O ? A ? 67 O 1
   ATOM 2096 CB A MET A 66 ? -0.35741 18.53716 8.83571 0.508 6.21334 C ? A ? 67 CB 1
   ATOM 2097 CG A MET A 66 ? -0.56766 19.08345 10.24346 0.508 6.24123 C ? A ? 67 CG 1
   ATOM 2098 SD A MET A 66 ? 0.58941 18.46793 11.52124 0.508 5.88039 S ? A ? 67 SD 1
   ATOM 2099 CE A MET A 66 ? 2.08572 19.18686 10.91046 0.508 7.01469 C ? A ? 67 CE 1
   ATOM 2100 H A MET A 66 ? -2.72937 17.74200 8.35798 0.508 8.28275 H ? A ? 67 H 1
   ATOM 2101 HA A MET A 66 ? -1.35144 19.97327 7.73492 0.508 7.95789 H ? A ? 67 HA 1
   ATOM 2102 HB2 A MET A 66 ? -0.40946 17.57035 8.89464 0.508 7.45601 H ? A ? 67 HB2 1
   ATOM 2103 HB3 A MET A 66 ? 0.53193 18.80509 8.55608 0.508 7.45601 H ? A ? 67 HB3 1
   ATOM 2104 HG2 A MET A 66 ? -0.47307 20.04832 10.21225 0.508 7.48947 H ? A ? 67 HG2 1
   ATOM 2105 HG3 A MET A 66 ? -1.46355 18.84704 10.53049 0.508 7.48947 H ? A ? 67 HG3 1
   ATOM 2106 HE1 A MET A 66 ? 2.80234 19.00613 11.53871 0.508 8.41763 H ? A ? 67 HE1 1
   ATOM 2107 HE2 A MET A 66 ? 2.29522 18.79521 10.04812 0.508 8.41763 H ? A ? 67 HE2 1
   ATOM 2108 HE3 A MET A 66 ? 1.96104 20.14430 10.81740 0.508 8.41763 H ? A ? 67 HE3 1
   ATOM 2109 N B MET A 66 ? -2.70006 18.58361 8.06745 0.492 6.83179 N ? A ? 67 N 1
   ATOM 2110 CA B MET A 66 ? -1.37874 19.10402 7.73631 0.492 6.59897 C ? A ? 67 CA 1
   ATOM 2111 C B MET A 66 ? -0.93602 18.53612 6.39957 0.492 5.40544 C ? A ? 67 C 1
   ATOM 2112 O B MET A 66 ? -1.30807 17.41785 6.05035 0.492 6.33301 O ? A ? 67 O 1
   ATOM 2113 CB B MET A 66 ? -0.38489 18.72574 8.82481 0.492 6.12457 C ? A ? 67 CB 1
   ATOM 2114 CG B MET A 66 ? -0.71665 19.40214 10.13058 0.492 5.94054 C ? A ? 67 CG 1
   ATOM 2115 SD B MET A 66 ? 0.29105 18.80299 11.49449 0.492 5.82609 S ? A ? 67 SD 1
   ATOM 2116 CE B MET A 66 ? 1.92380 19.25816 10.96736 0.492 6.85248 C ? A ? 67 CE 1
   ATOM 2117 H B MET A 66 ? -2.69301 17.77106 8.34907 0.492 8.19815 H ? A ? 67 H 1
   ATOM 2118 HA B MET A 66 ? -1.40078 20.07191 7.67625 0.492 7.91876 H ? A ? 67 HA 1
   ATOM 2119 HB2 B MET A 66 ? -0.40930 17.76584 8.96227 0.492 7.34949 H ? A ? 67 HB2 1
   ATOM 2120 HB3 B MET A 66 ? 0.50579 18.99978 8.55558 0.492 7.34949 H ? A ? 67 HB3 1
   ATOM 2121 HG2 B MET A 66 ? -0.56466 20.35594 10.04078 0.492 7.12865 H ? A ? 67 HG2 1
   ATOM 2122 HG3 B MET A 66 ? -1.64696 19.23340 10.34728 0.492 7.12865 H ? A ? 67 HG3 1
   ATOM 2123 HE1 B MET A 66 ? 2.56950 18.90576 11.59964 0.492 8.22297 H ? A ? 67 HE1 1
   ATOM 2124 HE2 B MET A 66 ? 2.08645 18.88610 10.08644 0.492 8.22297 H ? A ? 67 HE2 1
   ATOM 2125 HE3 B MET A 66 ? 1.98688 20.22555 10.93465 0.492 8.22297 H ? A ? 67 HE3 1
   ATOM 2126 N C MET A 66 ? -2.71665 18.53999 8.07914 0.000 6.89532 N ? A ? 67 N 1
   ATOM 2127 CA C MET A 66 ? -1.37383 18.99286 7.75032 0.000 6.53693 C ? A ? 67 CA 1
   ATOM 2128 C C MET A 66 ? -0.91784 18.37173 6.43542 0.000 5.59506 C ? A ? 67 C 1
   ATOM 2129 O C MET A 66 ? -1.29587 17.24891 6.09353 0.000 6.75507 O ? A ? 67 O 1
   ATOM 2130 CB C MET A 66 ? -0.38601 18.59621 8.85157 0.000 6.37014 C ? A ? 67 CB 1
   ATOM 2131 CG C MET A 66 ? -0.70417 19.17153 10.21870 0.000 6.59032 C ? A ? 67 CG 1
   ATOM 2132 SD C MET A 66 ? 0.42920 18.60494 11.50412 0.000 6.36038 S ? A ? 67 SD 1
   ATOM 2133 CE C MET A 66 ? 1.98650 19.25339 10.90092 0.000 6.69785 C ? A ? 67 CE 1
   ATOM 2134 H C MET A 66 ? -2.74285 17.73122 8.37037 0.000 8.27439 H ? A ? 67 H 1
   ATOM 2135 HA C MET A 66 ? -1.37851 19.95954 7.67026 0.000 7.84432 H ? A ? 67 HA 1
   ATOM 2136 HB2 C MET A 66 ? -0.38605 17.62965 8.93317 0.000 7.64417 H ? A ? 67 HB2 1
   ATOM 2137 HB3 C MET A 66 ? 0.49767 18.90795 8.60089 0.000 7.64417 H ? A ? 67 HB3 1
   ATOM 2138 HG2 C MET A 66 ? -0.64655 20.13882 10.17463 0.000 7.90838 H ? A ? 67 HG2 1
   ATOM 2139 HG3 C MET A 66 ? -1.60138 18.90382 10.47214 0.000 7.90838 H ? A ? 67 HG3 1
   ATOM 2140 HE1 C MET A 66 ? 2.67236 19.10083 11.56966 0.000 8.03742 H ? A ? 67 HE1 1
   ATOM 2141 HE2 C MET A 66 ? 2.22048 18.79771 10.07720 0.000 8.03742 H ? A ? 67 HE2 1
   ATOM 2142 HE3 C MET A 66 ? 1.89020 20.20456 10.73689 0.000 8.03742 H ? A ? 67 HE3 1
   ATOM 2143 N A SER A 67 ? -0.12998 19.17548 5.68559 0.538 6.08189 N ? A ? 68 N 1
   ATOM 2144 CA A SER A 67 ? 0.50489 18.65380 4.49243 0.538 5.81547 C ? A ? 68 CA 1
   ATOM 2145 C A SER A 67 ? 1.99522 18.40090 4.74841 0.538 5.39685 C ? A ? 68 C 1
   ATOM 2146 O A SER A 67 ? 2.59110 18.87240 5.72231 0.538 5.77895 O ? A ? 68 O 1
   ATOM 2147 CB A SER A 67 ? 0.28633 19.56569 3.28588 0.538 5.33180 C ? A ? 68 CB 1
   ATOM 2148 OG A SER A 67 ? 0.77420 20.88018 3.53892 0.538 6.31347 O ? A ? 68 OG 1
   ATOM 2149 H A SER A 67 ? 0.04258 20.00198 5.84904 0.508 7.29826 H ? A ? 68 H 1
   ATOM 2150 HA A SER A 67 ? 0.09943 17.80320 4.26224 0.538 6.97857 H ? A ? 68 HA 1
   ATOM 2151 HB2 A SER A 67 ? 0.75844 19.19652 2.52317 0.538 6.39816 H ? A ? 68 HB2 1
   ATOM 2152 HB3 A SER A 67 ? -0.66374 19.61402 3.09632 0.538 6.39816 H ? A ? 68 HB3 1
   ATOM 2153 HG A SER A 67 ? 0.46245 21.16770 4.26399 0.538 7.57616 H ? A ? 68 HG 1
   ATOM 2154 N B SER A 67 ? -0.18896 19.33833 5.63852 0.462 5.27581 N ? A ? 68 N 1
   ATOM 2155 CA B SER A 67 ? 0.45153 18.85655 4.43092 0.462 5.23532 C ? A ? 68 CA 1
   ATOM 2156 C B SER A 67 ? 1.91877 18.49482 4.70261 0.462 5.16040 C ? A ? 68 C 1
   ATOM 2157 O B SER A 67 ? 2.54895 18.97034 5.65705 0.462 5.59733 O ? A ? 68 O 1
   ATOM 2158 CB B SER A 67 ? 0.31430 19.83812 3.26422 0.462 6.72711 C ? A ? 68 CB 1
   ATOM 2159 OG B SER A 67 ? 0.89549 21.11748 3.55395 0.462 6.08921 O ? A ? 68 OG 1
   ATOM 2160 H B SER A 67 ? -0.04237 20.16852 5.80849 0.492 6.33097 H ? A ? 68 H 1
   ATOM 2161 HA B SER A 67 ? 0.00121 18.04661 4.14439 0.462 6.28239 H ? A ? 68 HA 1
   ATOM 2162 HB2 B SER A 67 ? 0.76229 19.46298 2.48996 0.462 8.07253 H ? A ? 68 HB2 1
   ATOM 2163 HB3 B SER A 67 ? -0.62867 19.96262 3.07393 0.462 8.07253 H ? A ? 68 HB3 1
   ATOM 2164 HG B SER A 67 ? 0.70399 21.34902 4.33837 0.462 7.30705 H ? A ? 68 HG 1
   ATOM 2165 N C SER A 67 ? -0.10280 19.11863 5.69733 0.000 5.88836 N ? A ? 68 N 1
   ATOM 2166 CA C SER A 67 ? 0.55494 18.62006 4.49907 0.000 5.77097 C ? A ? 68 CA 1
   ATOM 2167 C C SER A 67 ? 2.01444 18.30710 4.81478 0.000 5.46192 C ? A ? 68 C 1
   ATOM 2168 O C SER A 67 ? 2.57314 18.78391 5.80571 0.000 5.78050 O ? A ? 68 O 1
   ATOM 2169 CB C SER A 67 ? 0.46847 19.64584 3.36636 0.000 6.17167 C ? A ? 68 CB 1
   ATOM 2170 OG C SER A 67 ? 1.00264 20.89483 3.76169 0.000 6.12331 O ? A ? 68 OG 1
   ATOM 2171 H C SER A 67 ? 0.08826 19.93773 5.87669 0.000 7.06603 H ? A ? 68 H 1
   ATOM 2172 HA C SER A 67 ? 0.11887 17.80883 4.19469 0.000 6.92517 H ? A ? 68 HA 1
   ATOM 2173 HB2 C SER A 67 ? 0.97139 19.31613 2.60527 0.000 7.40601 H ? A ? 68 HB2 1
   ATOM 2174 HB3 C SER A 67 ? -0.46255 19.76584 3.12200 0.000 7.40601 H ? A ? 68 HB3 1
   ATOM 2175 HG C SER A 67 ? 0.58255 21.18942 4.42678 0.000 7.34798 H ? A ? 68 HG 1
   ATOM 2176 N A VAL A 68 ? 2.59088 17.60840 3.85644 0.486 5.71539 N ? A ? 69 N 1
   ATOM 2177 CA A VAL A 68 ? 3.95186 17.16423 4.09447 0.486 5.53309 C ? A ? 69 CA 1
   ATOM 2178 C A VAL A 68 ? 4.88812 18.35043 4.20580 0.486 5.12050 C ? A ? 69 C 1
   ATOM 2179 O A VAL A 68 ? 4.85721 19.28331 3.39191 0.486 6.34101 O ? A ? 69 O 1
   ATOM 2180 CB A VAL A 68 ? 4.39109 16.18463 3.00475 0.486 6.66366 C ? A ? 69 CB 1
   ATOM 2181 CG1 A VAL A 68 ? 5.89305 15.89962 3.10286 0.486 7.71954 C ? A ? 69 CG1 1
   ATOM 2182 CG2 A VAL A 68 ? 3.63374 14.88338 3.12451 0.486 7.70441 C ? A ? 69 CG2 1
   ATOM 2183 H A VAL A 68 ? 2.23442 17.32431 3.12717 0.538 6.85846 H ? A ? 69 H 1
   ATOM 2184 HA A VAL A 68 ? 3.98129 16.69699 4.94401 0.486 6.63971 H ? A ? 69 HA 1
   ATOM 2185 HB A VAL A 68 ? 4.20098 16.58790 2.14328 0.486 7.99640 H ? A ? 69 HB 1
   ATOM 2186 HG11 A VAL A 68 ? 6.09891 15.10774 2.58186 0.486 9.26344 H ? A ? 69 HG11 1
   ATOM 2187 HG12 A VAL A 68 ? 6.38242 16.66123 2.75449 0.486 9.26344 H ? A ? 69 HG12 1
   ATOM 2188 HG13 A VAL A 68 ? 6.12669 15.75363 4.03291 0.486 9.26344 H ? A ? 69 HG13 1
   ATOM 2189 HG21 A VAL A 68 ? 3.92574 14.28218 2.42151 0.486 9.24529 H ? A ? 69 HG21 1
   ATOM 2190 HG22 A VAL A 68 ? 3.81601 14.49063 3.99251 0.486 9.24529 H ? A ? 69 HG22 1
   ATOM 2191 HG23 A VAL A 68 ? 2.68441 15.06109 3.03462 0.486 9.24529 H ? A ? 69 HG23 1
   ATOM 2192 N B VAL A 68 ? 2.46113 17.61267 3.84677 0.419 5.77690 N ? A ? 69 N 1
   ATOM 2193 CA B VAL A 68 ? 3.79521 17.08972 4.11283 0.419 5.46349 C ? A ? 69 CA 1
   ATOM 2194 C B VAL A 68 ? 4.78219 18.24170 4.13777 0.419 4.93911 C ? A ? 69 C 1
   ATOM 2195 O B VAL A 68 ? 4.76412 19.11895 3.26608 0.419 5.61003 O ? A ? 69 O 1
   ATOM 2196 CB B VAL A 68 ? 4.18746 15.99614 3.11655 0.419 5.91773 C ? A ? 69 CB 1
   ATOM 2197 CG1 B VAL A 68 ? 5.61470 15.47541 3.43557 0.419 7.91020 C ? A ? 69 CG1 1
   ATOM 2198 CG2 B VAL A 68 ? 3.20696 14.84890 3.16005 0.419 9.86449 C ? A ? 69 CG2 1
   ATOM 2199 H B VAL A 68 ? 2.08500 17.31612 3.13250 0.462 6.93228 H ? A ? 69 H 1
   ATOM 2200 HA B VAL A 68 ? 3.79532 16.66974 4.98720 0.419 6.55618 H ? A ? 69 HA 1
   ATOM 2201 HB B VAL A 68 ? 4.17552 16.37360 2.22309 0.419 7.10128 H ? A ? 69 HB 1
   ATOM 2202 HG11 B VAL A 68 ? 5.78371 14.67648 2.91209 0.419 9.49224 H ? A ? 69 HG11 1
   ATOM 2203 HG12 B VAL A 68 ? 6.25996 16.16287 3.20763 0.419 9.49224 H ? A ? 69 HG12 1
   ATOM 2204 HG13 B VAL A 68 ? 5.67145 15.26911 4.38168 0.419 9.49224 H ? A ? 69 HG13 1
   ATOM 2205 HG21 B VAL A 68 ? 3.53664 14.13023 2.59816 0.419 11.83739 H ? A ? 69 HG21 1
   ATOM 2206 HG22 B VAL A 68 ? 3.12217 14.54049 4.07580 0.419 11.83739 H ? A ? 69 HG22 1
   ATOM 2207 HG23 B VAL A 68 ? 2.34678 15.15608 2.83349 0.419 11.83739 H ? A ? 69 HG23 1
   ATOM 2208 N C VAL A 68 ? 2.62947 17.48411 3.95982 0.096 5.87338 N ? A ? 69 N 1
   ATOM 2209 CA C VAL A 68 ? 3.99975 17.05847 4.21268 0.096 5.92855 C ? A ? 69 CA 1
   ATOM 2210 C C VAL A 68 ? 4.92706 18.26420 4.21176 0.096 5.33610 C ? A ? 69 C 1
   ATOM 2211 O C VAL A 68 ? 4.80623 19.17334 3.37815 0.096 6.08098 O ? A ? 69 O 1
   ATOM 2212 CB C VAL A 68 ? 4.44067 15.98684 3.20227 0.096 6.46710 C ? A ? 69 CB 1
   ATOM 2213 CG1 C VAL A 68 ? 3.66114 14.69129 3.44278 0.096 7.47203 C ? A ? 69 CG1 1
   ATOM 2214 CG2 C VAL A 68 ? 4.27044 16.48966 1.77479 0.096 6.55054 C ? A ? 69 CG2 1
   ATOM 2215 H C VAL A 68 ? 2.27924 17.16635 3.24151 0.000 7.04805 H ? A ? 69 H 1
   ATOM 2216 HA C VAL A 68 ? 4.04117 16.65463 5.09365 0.096 7.11426 H ? A ? 69 HA 1
   ATOM 2217 HB C VAL A 68 ? 5.38342 15.79436 3.32508 0.096 7.76052 H ? A ? 69 HB 1
   ATOM 2218 HG11 C VAL A 68 ? 3.95760 14.02164 2.80671 0.096 8.96644 H ? A ? 69 HG11 1
   ATOM 2219 HG12 C VAL A 68 ? 3.82896 14.38512 4.34776 0.096 8.96644 H ? A ? 69 HG12 1
   ATOM 2220 HG13 C VAL A 68 ? 2.71448 14.86541 3.32269 0.096 8.96644 H ? A ? 69 HG13 1
   ATOM 2221 HG21 C VAL A 68 ? 4.68088 15.85604 1.16572 0.096 7.86065 H ? A ? 69 HG21 1
   ATOM 2222 HG22 C VAL A 68 ? 3.32381 16.57075 1.57931 0.096 7.86065 H ? A ? 69 HG22 1
   ATOM 2223 HG23 C VAL A 68 ? 4.70074 17.35499 1.69135 0.096 7.86065 H ? A ? 69 HG23 1
   ATOM 2224 N A GLY A 69 ? 5.77073 18.29037 5.20952 0.529 5.15757 N ? A ? 70 N 1
   ATOM 2225 CA A GLY A 69 ? 6.71381 19.33398 5.48376 0.529 5.73655 C ? A ? 70 CA 1
   ATOM 2226 C A GLY A 69 ? 6.22221 20.36991 6.45136 0.529 5.70894 C ? A ? 70 C 1
   ATOM 2227 O A GLY A 69 ? 7.01598 21.21716 6.88119 0.529 6.59700 O ? A ? 70 O 1
   ATOM 2228 H A GLY A 69 ? 5.83103 17.62683 5.75329 0.486 6.18909 H ? A ? 70 H 1
   ATOM 2229 HA2 A GLY A 69 ? 7.51917 18.93901 5.85295 0.529 6.88386 H ? A ? 70 HA2 1
   ATOM 2230 HA3 A GLY A 69 ? 6.93454 19.78274 4.65262 0.529 6.88386 H ? A ? 70 HA3 1
   ATOM 2231 N B GLY A 69 ? 5.66195 18.23496 5.15235 0.463 5.15786 N ? A ? 70 N 1
   ATOM 2232 CA B GLY A 69 ? 6.61425 19.28898 5.40371 0.463 5.84431 C ? A ? 70 CA 1
   ATOM 2233 C B GLY A 69 ? 6.17964 20.26091 6.47536 0.463 5.58845 C ? A ? 70 C 1
   ATOM 2234 O B GLY A 69 ? 7.03835 20.95400 7.05668 0.463 6.37921 O ? A ? 70 O 1
   ATOM 2235 H B GLY A 69 ? 5.71633 17.59558 5.72491 0.419 6.18943 H ? A ? 70 H 1
   ATOM 2236 HA2 B GLY A 69 ? 7.45571 18.89364 5.68037 0.463 7.01318 H ? A ? 70 HA2 1
   ATOM 2237 HA3 B GLY A 69 ? 6.75442 19.78867 4.58422 0.463 7.01318 H ? A ? 70 HA3 1
   ATOM 2238 N C GLY A 69 ? 5.86722 18.26959 5.15935 0.009 5.35082 N ? A ? 70 N 1
   ATOM 2239 CA C GLY A 69 ? 6.75612 19.38733 5.36907 0.009 5.96899 C ? A ? 70 CA 1
   ATOM 2240 C C GLY A 69 ? 6.26854 20.39872 6.38011 0.009 5.66226 C ? A ? 70 C 1
   ATOM 2241 O C GLY A 69 ? 7.06243 21.23800 6.82678 0.009 6.65315 O ? A ? 70 O 1
   ATOM 2242 H C GLY A 69 ? 6.00488 17.61632 5.70147 0.096 6.42098 H ? A ? 70 H 1
   ATOM 2243 HA2 C GLY A 69 ? 7.61278 19.05080 5.67532 0.009 7.16279 H ? A ? 70 HA2 1
   ATOM 2244 HA3 C GLY A 69 ? 6.88141 19.84829 4.52485 0.009 7.16279 H ? A ? 70 HA3 1
   ATOM 2245 N A GLN A 70 ? 4.95053 20.34757 6.81150 0.534 4.84109 N ? A ? 71 N 1
   ATOM 2246 CA A GLN A 70 ? 4.43370 21.35686 7.72758 0.534 4.82277 C ? A ? 71 CA 1
   ATOM 2247 C A GLN A 70 ? 4.94434 21.11185 9.14368 0.534 4.48623 C ? A ? 71 C 1
   ATOM 2248 O A GLN A 70 ? 5.12851 19.97140 9.58240 0.534 5.38406 O ? A ? 71 O 1
   ATOM 2249 CB A GLN A 70 ? 2.91164 21.29150 7.68640 0.534 5.14964 C ? A ? 71 CB 1
   ATOM 2250 CG A GLN A 70 ? 2.15668 22.46427 8.29869 0.534 5.83562 C ? A ? 71 CG 1
   ATOM 2251 CD A GLN A 70 ? 0.64356 22.37311 8.03224 0.534 6.54527 C ? A ? 71 CD 1
   ATOM 2252 OE1 A GLN A 70 ? 0.16770 21.49298 7.30683 0.534 7.32828 O ? A ? 71 OE1 1
   ATOM 2253 NE2 A GLN A 70 ? -0.11934 23.28952 8.61564 0.534 7.22534 N ? A ? 71 NE2 1
   ATOM 2254 H A GLN A 70 ? 4.37221 19.76917 6.54580 0.529 5.80931 H ? A ? 71 H 1
   ATOM 2255 HA A GLN A 70 ? 4.72559 22.24597 7.47223 0.534 5.78733 H ? A ? 71 HA 1
   ATOM 2256 HB2 A GLN A 70 ? 2.63902 21.23352 6.75731 0.534 6.17957 H ? A ? 71 HB2 1
   ATOM 2257 HB3 A GLN A 70 ? 2.63267 20.49485 8.16434 0.534 6.17957 H ? A ? 71 HB3 1
   ATOM 2258 HG2 A GLN A 70 ? 2.29643 22.46822 9.25856 0.534 7.00275 H ? A ? 71 HG2 1
   ATOM 2259 HG3 A GLN A 70 ? 2.48387 23.29169 7.91239 0.534 7.00275 H ? A ? 71 HG3 1
   ATOM 2260 HE21 A GLN A 70 ? 0.23805 23.89338 9.11286 0.534 8.67041 H ? A ? 71 HE21 1
   ATOM 2261 HE22 A GLN A 70 ? -0.97096 23.27937 8.49636 0.534 8.67041 H ? A ? 71 HE22 1
   ATOM 2262 N B GLN A 70 ? 4.87569 20.35468 6.72866 0.466 4.85624 N ? A ? 71 N 1
   ATOM 2263 CA B GLN A 70 ? 4.33648 21.35409 7.64507 0.466 4.64986 C ? A ? 71 CA 1
   ATOM 2264 C B GLN A 70 ? 4.75953 21.06598 9.07201 0.466 4.80720 C ? A ? 71 C 1
   ATOM 2265 O B GLN A 70 ? 4.81700 19.91614 9.51087 0.466 4.85772 O ? A ? 71 O 1
   ATOM 2266 CB B GLN A 70 ? 2.81750 21.30979 7.57413 0.466 4.91695 C ? A ? 71 CB 1
   ATOM 2267 CG B GLN A 70 ? 2.12512 22.45087 8.27647 0.466 5.91062 C ? A ? 71 CG 1
   ATOM 2268 CD B GLN A 70 ? 0.64136 22.43195 7.94611 0.466 6.34286 C ? A ? 71 CD 1
   ATOM 2269 OE1 B GLN A 70 ? 0.25388 21.90465 6.88291 0.466 6.36259 O ? A ? 71 OE1 1
   ATOM 2270 NE2 B GLN A 70 ? -0.19633 22.95350 8.86419 0.466 6.18600 N ? A ? 71 NE2 1
   ATOM 2271 H B GLN A 70 ? 4.27656 19.84629 6.37911 0.463 5.82749 H ? A ? 71 H 1
   ATOM 2272 HA B GLN A 70 ? 4.66354 22.23325 7.39805 0.466 5.57983 H ? A ? 71 HA 1
   ATOM 2273 HB2 B GLN A 70 ? 2.55092 21.33463 6.64181 0.466 5.90034 H ? A ? 71 HB2 1
   ATOM 2274 HB3 B GLN A 70 ? 2.51300 20.48525 7.98439 0.466 5.90034 H ? A ? 71 HB3 1
   ATOM 2275 HG2 B GLN A 70 ? 2.23300 22.35882 9.23605 0.466 7.09274 H ? A ? 71 HG2 1
   ATOM 2276 HG3 B GLN A 70 ? 2.50078 23.29453 7.97980 0.466 7.09274 H ? A ? 71 HG3 1
   ATOM 2277 HE21 B GLN A 70 ? 0.11645 23.27704 9.59705 0.466 7.42320 H ? A ? 71 HE21 1
   ATOM 2278 HE22 B GLN A 70 ? -1.04361 22.96273 8.71712 0.466 7.42320 H ? A ? 71 HE22 1
   ATOM 2279 N C GLN A 70 ? 4.99625 20.34448 6.75946 0.000 4.89031 N ? A ? 71 N 1
   ATOM 2280 CA C GLN A 70 ? 4.42192 21.34937 7.63843 0.000 4.85195 C ? A ? 71 CA 1
   ATOM 2281 C C GLN A 70 ? 4.80311 21.08194 9.08720 0.000 4.78435 C ? A ? 71 C 1
   ATOM 2282 O C GLN A 70 ? 4.87367 19.93171 9.52830 0.000 5.10403 O ? A ? 71 O 1
   ATOM 2283 CB C GLN A 70 ? 2.89933 21.34111 7.50738 0.000 5.20829 C ? A ? 71 CB 1
   ATOM 2284 CG C GLN A 70 ? 2.18418 22.43105 8.28872 0.000 5.73499 C ? A ? 71 CG 1
   ATOM 2285 CD C GLN A 70 ? 0.68711 22.42101 8.04203 0.000 6.31704 C ? A ? 71 CD 1
   ATOM 2286 OE1 C GLN A 70 ? 0.20027 21.72238 7.15361 0.000 6.69637 O ? A ? 71 OE1 1
   ATOM 2287 NE2 C GLN A 70 ? -0.05108 23.19425 8.82948 0.000 6.82388 N ? A ? 71 NE2 1
   ATOM 2288 H C GLN A 70 ? 4.44326 19.73132 6.51897 0.009 5.86837 H ? A ? 71 H 1
   ATOM 2289 HA C GLN A 70 ? 4.75962 22.22431 7.39075 0.000 5.82234 H ? A ? 71 HA 1
   ATOM 2290 HB2 C GLN A 70 ? 2.67070 21.45565 6.57169 0.000 6.24995 H ? A ? 71 HB2 1
   ATOM 2291 HB3 C GLN A 70 ? 2.56784 20.48769 7.82783 0.000 6.24995 H ? A ? 71 HB3 1
   ATOM 2292 HG2 C GLN A 70 ? 2.33570 22.29500 9.23710 0.000 6.88199 H ? A ? 71 HG2 1
   ATOM 2293 HG3 C GLN A 70 ? 2.52982 23.29609 8.01828 0.000 6.88199 H ? A ? 71 HG3 1
   ATOM 2294 HE21 C GLN A 70 ? 0.32427 23.66771 9.44148 0.000 8.18866 H ? A ? 71 HE21 1
   ATOM 2295 HE22 C GLN A 70 ? -0.90458 23.22163 8.72752 0.000 8.18866 H ? A ? 71 HE22 1
   ATOM 2296 N A ARG A 71 ? 5.14473 22.21185 9.85548 0.395 4.54526 N ? A ? 72 N 1
   ATOM 2297 CA A ARG A 71 ? 5.29777 22.21646 11.29401 0.395 5.07672 C ? A ? 72 CA 1
   ATOM 2298 C A ARG A 71 ? 4.06205 22.91611 11.86389 0.395 4.61568 C ? A ? 72 C 1
   ATOM 2299 O A ARG A 71 ? 3.69134 23.99892 11.38613 0.395 4.36426 O ? A ? 72 O 1
   ATOM 2300 CB A ARG A 71 ? 6.60674 22.90926 11.69848 0.395 5.49317 C ? A ? 72 CB 1
   ATOM 2301 CG A ARG A 71 ? 6.95317 22.68978 13.13899 0.395 5.73747 C ? A ? 72 CG 1
   ATOM 2302 CD A ARG A 71 ? 8.43070 22.86242 13.40914 0.395 6.77514 C ? A ? 72 CD 1
   ATOM 2303 NE A ARG A 71 ? 8.72847 22.61630 14.80196 0.395 6.14732 N ? A ? 72 NE 1
   ATOM 2304 CZ A ARG A 71 ? 9.95659 22.56426 15.29334 0.395 10.08563 C ? A ? 72 CZ 1
   ATOM 2305 NH1 A ARG A 71 ? 11.01290 22.76052 14.52216 0.395 12.55308 N ? A ? 72 NH1 1
   ATOM 2306 NH2 A ARG A 71 ? 10.13387 22.30780 16.59094 0.395 12.33900 N ? A ? 72 NH2 1
   ATOM 2307 H A ARG A 71 ? 5.19724 22.99731 9.50922 0.534 5.45431 H ? A ? 72 H 1
   ATOM 2308 HA A ARG A 71 ? 5.34398 21.32058 11.66301 0.395 6.09207 H ? A ? 72 HA 1
   ATOM 2309 HB2 A ARG A 71 ? 7.33101 22.55729 11.15770 0.395 6.59180 H ? A ? 72 HB2 1
   ATOM 2310 HB3 A ARG A 71 ? 6.51740 23.86404 11.55248 0.395 6.59180 H ? A ? 72 HB3 1
   ATOM 2311 HG2 A ARG A 71 ? 6.47064 23.33150 13.68329 0.395 6.88496 H ? A ? 72 HG2 1
   ATOM 2312 HG3 A ARG A 71 ? 6.70443 21.78691 13.39171 0.395 6.88496 H ? A ? 72 HG3 1
   ATOM 2313 HD2 A ARG A 71 ? 8.93438 22.23252 12.87024 0.395 8.13016 H ? A ? 72 HD2 1
   ATOM 2314 HD3 A ARG A 71 ? 8.69570 23.77014 13.19298 0.395 8.13016 H ? A ? 72 HD3 1
   ATOM 2315 HE A ARG A 71 ? 8.07019 22.49684 15.34233 0.395 7.37678 H ? A ? 72 HE 1
   ATOM 2316 HH11 A ARG A 71 ? 10.90909 22.92565 13.68457 0.395 15.06370 H ? A ? 72 HH11 1
   ATOM 2317 HH12 A ARG A 71 ? 11.80361 22.72303 14.85827 0.395 15.06370 H ? A ? 72 HH12 1
   ATOM 2318 HH21 A ARG A 71 ? 9.45336 22.17797 17.10049 0.395 14.80680 H ? A ? 72 HH21 1
   ATOM 2319 HH22 A ARG A 71 ? 10.92863 22.27236 16.91759 0.395 14.80680 H ? A ? 72 HH22 1
   ATOM 2320 N B ARG A 71 ? 5.04595 22.13337 9.81020 0.385 4.45057 N ? A ? 72 N 1
   ATOM 2321 CA B ARG A 71 ? 5.28896 22.06107 11.24428 0.385 5.09680 C ? A ? 72 CA 1
   ATOM 2322 C B ARG A 71 ? 4.21514 22.90345 11.91990 0.385 4.78780 C ? A ? 72 C 1
   ATOM 2323 O B ARG A 71 ? 4.01845 24.06776 11.55409 0.385 4.95497 O ? A ? 72 O 1
   ATOM 2324 CB B ARG A 71 ? 6.66543 22.61650 11.61859 0.385 5.03294 C ? A ? 72 CB 1
   ATOM 2325 CG B ARG A 71 ? 7.00664 22.51216 13.09732 0.385 5.61937 C ? A ? 72 CG 1
   ATOM 2326 CD B ARG A 71 ? 8.25819 23.30394 13.42547 0.385 6.43093 C ? A ? 72 CD 1
   ATOM 2327 NE B ARG A 71 ? 8.47714 23.46723 14.84607 0.385 5.87497 N ? A ? 72 NE 1
   ATOM 2328 CZ B ARG A 71 ? 9.38952 24.28914 15.33868 0.385 7.95078 C ? A ? 72 CZ 1
   ATOM 2329 NH1 B ARG A 71 ? 10.15677 25.02139 14.54479 0.385 9.65383 N ? A ? 72 NH1 1
   ATOM 2330 NH2 B ARG A 71 ? 9.53407 24.38579 16.65648 0.385 9.26664 N ? A ? 72 NH2 1
   ATOM 2331 H B ARG A 71 ? 5.10631 22.93050 9.49311 0.466 5.34068 H ? A ? 72 H 1
   ATOM 2332 HA B ARG A 71 ? 5.24807 21.13896 11.54250 0.385 6.11616 H ? A ? 72 HA 1
   ATOM 2333 HB2 B ARG A 71 ? 7.34132 22.12464 11.12650 0.385 6.03953 H ? A ? 72 HB2 1
   ATOM 2334 HB3 B ARG A 71 ? 6.69609 23.55526 11.37632 0.385 6.03953 H ? A ? 72 HB3 1
   ATOM 2335 HG2 B ARG A 71 ? 6.27293 22.86626 13.62380 0.385 6.74325 H ? A ? 72 HG2 1
   ATOM 2336 HG3 B ARG A 71 ? 7.16234 21.58295 13.32802 0.385 6.74325 H ? A ? 72 HG3 1
   ATOM 2337 HD2 B ARG A 71 ? 9.02758 22.84199 13.05729 0.385 7.71712 H ? A ? 72 HD2 1
   ATOM 2338 HD3 B ARG A 71 ? 8.18266 24.18769 13.03283 0.385 7.71712 H ? A ? 72 HD3 1
   ATOM 2339 HE B ARG A 71 ? 7.99452 23.01142 15.39280 0.385 7.04996 H ? A ? 72 HE 1
   ATOM 2340 HH11 B ARG A 71 ? 10.06702 24.96792 13.69116 0.385 11.58459 H ? A ? 72 HH11 1
   ATOM 2341 HH12 B ARG A 71 ? 10.74459 25.55021 14.88306 0.385 11.58459 H ? A ? 72 HH12 1
   ATOM 2342 HH21 B ARG A 71 ? 9.03739 23.91696 17.17907 0.385 11.11996 H ? A ? 72 HH21 1
   ATOM 2343 HH22 B ARG A 71 ? 10.12427 24.91716 16.98650 0.385 11.11996 H ? A ? 72 HH22 1
   ATOM 2344 N C ARG A 71 ? 5.04996 22.16081 9.82160 0.220 4.48221 N ? A ? 72 N 1
   ATOM 2345 CA C ARG A 71 ? 5.25443 22.11974 11.25913 0.220 5.09159 C ? A ? 72 CA 1
   ATOM 2346 C C ARG A 71 ? 4.12015 22.91481 11.88744 0.220 4.71001 C ? A ? 72 C 1
   ATOM 2347 O C ARG A 71 ? 3.85577 24.04926 11.47694 0.220 5.03549 O ? A ? 72 O 1
   ATOM 2348 CB C ARG A 71 ? 6.60783 22.72618 11.64292 0.220 5.36732 C ? A ? 72 CB 1
   ATOM 2349 CG C ARG A 71 ? 6.88446 22.72088 13.13538 0.220 5.85919 C ? A ? 72 CG 1
   ATOM 2350 CD C ARG A 71 ? 8.27011 23.25232 13.45990 0.220 6.55846 C ? A ? 72 CD 1
   ATOM 2351 NE C ARG A 71 ? 8.53045 23.24066 14.88730 0.220 5.91736 N ? A ? 72 NE 1
   ATOM 2352 CZ C ARG A 71 ? 9.68680 23.58854 15.43134 0.220 6.17430 C ? A ? 72 CZ 1
   ATOM 2353 NH1 C ARG A 71 ? 10.71910 23.94510 14.68412 0.220 8.55690 N ? A ? 72 NH1 1
   ATOM 2354 NH2 C ARG A 71 ? 9.81650 23.56670 16.75653 0.220 7.17071 N ? A ? 72 NH2 1
   ATOM 2355 H C ARG A 71 ? 5.10511 22.95461 9.49535 0.000 5.37865 H ? A ? 72 H 1
   ATOM 2356 HA C ARG A 71 ? 5.24175 21.20730 11.58804 0.220 6.10991 H ? A ? 72 HA 1
   ATOM 2357 HB2 C ARG A 71 ? 7.31085 22.21662 11.21046 0.220 6.44078 H ? A ? 72 HB2 1
   ATOM 2358 HB3 C ARG A 71 ? 6.63249 23.64775 11.34128 0.220 6.44078 H ? A ? 72 HB3 1
   ATOM 2359 HG2 C ARG A 71 ? 6.23245 23.28254 13.58295 0.220 7.03102 H ? A ? 72 HG2 1
   ATOM 2360 HG3 C ARG A 71 ? 6.82340 21.81181 13.46820 0.220 7.03102 H ? A ? 72 HG3 1
   ATOM 2361 HD2 C ARG A 71 ? 8.93587 22.69686 13.02501 0.220 7.87015 H ? A ? 72 HD2 1
   ATOM 2362 HD3 C ARG A 71 ? 8.34400 24.16680 13.14497 0.220 7.87015 H ? A ? 72 HD3 1
   ATOM 2363 HE C ARG A 71 ? 7.89551 22.99287 15.41176 0.220 7.10084 H ? A ? 72 HE 1
   ATOM 2364 HH11 C ARG A 71 ? 10.64694 23.95409 13.82720 0.220 10.26828 H ? A ? 72 HH11 1
   ATOM 2365 HH12 C ARG A 71 ? 11.46215 24.16783 15.05543 0.220 10.26828 H ? A ? 72 HH12 1
   ATOM 2366 HH21 C ARG A 71 ? 9.15340 23.32845 17.24962 0.220 8.60485 H ? A ? 72 HH21 1
   ATOM 2367 HH22 C ARG A 71 ? 10.56337 23.79085 17.11923 0.220 8.60485 H ? A ? 72 HH22 1
   ATOM 2368 N A ALA A 72 ? 3.38852 22.28216 12.83889 0.446 4.66766 N ? A ? 73 N 1
   ATOM 2369 CA A ALA A 72 ? 2.16783 22.83582 13.38939 0.446 4.83588 C ? A ? 73 CA 1
   ATOM 2370 C A ALA A 72 ? 2.09663 22.54671 14.87947 0.446 4.53626 C ? A ? 73 C 1
   ATOM 2371 O A ALA A 72 ? 2.48385 21.45984 15.29744 0.446 4.46655 O ? A ? 73 O 1
   ATOM 2372 CB A ALA A 72 ? 0.94286 22.21008 12.74342 0.446 5.88260 C ? A ? 73 CB 1
   ATOM 2373 H A ALA A 72 ? 3.62805 21.53364 13.18807 0.395 5.60119 H ? A ? 73 H 1
   ATOM 2374 HA A ALA A 72 ? 2.17046 23.79506 13.24538 0.446 5.80306 H ? A ? 73 HA 1
   ATOM 2375 HB1 A ALA A 72 ? 0.14568 22.57825 13.15557 0.446 7.05912 H ? A ? 73 HB1 1
   ATOM 2376 HB2 A ALA A 72 ? 0.94817 22.41211 11.79471 0.446 7.05912 H ? A ? 73 HB2 1
   ATOM 2377 HB3 A ALA A 72 ? 0.97104 21.24977 12.87728 0.446 7.05912 H ? A ? 73 HB3 1
   ATOM 2378 N B ALA A 72 ? 3.52740 22.33950 12.91299 0.442 4.82234 N ? A ? 73 N 1
   ATOM 2379 CA B ALA A 72 ? 2.41964 23.05927 13.50157 0.442 4.89784 C ? A ? 73 CA 1
   ATOM 2380 C B ALA A 72 ? 2.29232 22.68239 14.95643 0.442 4.63433 C ? A ? 73 C 1
   ATOM 2381 O B ALA A 72 ? 2.89388 21.72340 15.42969 0.442 4.94557 O ? A ? 73 O 1
   ATOM 2382 CB B ALA A 72 ? 1.10767 22.73710 12.77880 0.442 5.48581 C ? A ? 73 CB 1
   ATOM 2383 H B ALA A 72 ? 3.68475 21.56319 13.24794 0.385 5.78681 H ? A ? 73 H 1
   ATOM 2384 HA B ALA A 72 ? 2.60397 24.00955 13.43927 0.442 5.87740 H ? A ? 73 HA 1
   ATOM 2385 HB1 B ALA A 72 ? 0.37897 23.19198 13.22933 0.442 6.58297 H ? A ? 73 HB1 1
   ATOM 2386 HB2 B ALA A 72 ? 1.17018 23.04186 11.86004 0.442 6.58297 H ? A ? 73 HB2 1
   ATOM 2387 HB3 B ALA A 72 ? 0.96260 21.77824 12.80009 0.442 6.58297 H ? A ? 73 HB3 1
   ATOM 2388 N C ALA A 72 ? 3.43567 22.31911 12.86132 0.113 4.74112 N ? A ? 73 N 1
   ATOM 2389 CA C ALA A 72 ? 2.31039 22.98788 13.50240 0.113 5.00320 C ? A ? 73 CA 1
   ATOM 2390 C C ALA A 72 ? 2.32168 22.72957 15.00200 0.113 4.65557 C ? A ? 73 C 1
   ATOM 2391 O C ALA A 72 ? 2.77626 21.67982 15.45499 0.113 4.90669 O ? A ? 73 O 1
   ATOM 2392 CB C ALA A 72 ? 0.99941 22.51807 12.89401 0.113 5.52588 C ? A ? 73 CB 1
   ATOM 2393 H C ALA A 72 ? 3.60340 21.53252 13.16587 0.220 5.68934 H ? A ? 73 H 1
   ATOM 2394 HA C ALA A 72 ? 2.38106 23.94415 13.35588 0.113 6.00384 H ? A ? 73 HA 1
   ATOM 2395 HB1 C ALA A 72 ? 0.26487 22.96578 13.34225 0.113 6.63106 H ? A ? 73 HB1 1
   ATOM 2396 HB2 C ALA A 72 ? 0.99326 22.73731 11.94913 0.113 6.63106 H ? A ? 73 HB2 1
   ATOM 2397 HB3 C ALA A 72 ? 0.92283 21.55825 13.01138 0.113 6.63106 H ? A ? 73 HB3 1
   ATOM 2398 N A LYS A 73 ? 1.60068 23.52639 15.65063 0.612 5.53440 N ? A ? 74 N 1
   ATOM 2399 CA A LYS A 73 ? 1.19484 23.34728 17.02461 0.612 5.10881 C ? A ? 74 CA 1
   ATOM 2400 C A LYS A 73 ? -0.22886 22.85049 17.06434 0.612 5.64548 C ? A ? 74 C 1
   ATOM 2401 O A LYS A 73 ? -1.14660 23.55749 16.63271 0.612 6.08532 O ? A ? 74 O 1
   ATOM 2402 CB A LYS A 73 ? 1.21749 24.73329 17.70706 0.612 8.34740 C ? A ? 74 CB 1
   ATOM 2403 CG A LYS A 73 ? 1.54119 24.64295 19.17449 0.612 19.56592 C ? A ? 74 CG 1
   ATOM 2404 CD A LYS A 73 ? 2.98841 24.11757 19.29682 0.612 20.49499 C ? A ? 74 CD 1
   ATOM 2405 CE A LYS A 73 ? 3.98903 25.23393 19.55724 0.612 20.58518 C ? A ? 74 CE 1
   ATOM 2406 NZ A LYS A 73 ? 5.27536 25.26961 18.81710 0.612 27.22682 N ? A ? 74 NZ 1
   ATOM 2407 H A LYS A 73 ? 1.49002 24.33400 15.37656 0.446 6.64128 H ? A ? 74 H 1
   ATOM 2408 HA A LYS A 73 ? 1.78085 22.71283 17.46617 0.612 6.13057 H ? A ? 74 HA 1
   ATOM 2409 HB2 A LYS A 73 ? 1.89252 25.28523 17.28209 0.612 10.01687 H ? A ? 74 HB2 1
   ATOM 2410 HB3 A LYS A 73 ? 0.34481 25.14663 17.61497 0.612 10.01687 H ? A ? 74 HB3 1
   ATOM 2411 HG2 A LYS A 73 ? 1.48070 25.51868 19.58722 0.612 23.47910 H ? A ? 74 HG2 1
   ATOM 2412 HG3 A LYS A 73 ? 0.93640 24.02591 19.61539 0.612 23.47910 H ? A ? 74 HG3 1
   ATOM 2413 HD2 A LYS A 73 ? 3.03778 23.49043 20.03517 0.612 24.59399 H ? A ? 74 HD2 1
   ATOM 2414 HD3 A LYS A 73 ? 3.23765 23.67647 18.46965 0.612 24.59399 H ? A ? 74 HD3 1
   ATOM 2415 HE2 A LYS A 73 ? 3.54283 26.07204 19.35881 0.612 24.70222 H ? A ? 74 HE2 1
   ATOM 2416 HE3 A LYS A 73 ? 4.22257 25.19703 20.49798 0.612 24.70222 H ? A ? 74 HE3 1
   ATOM 2417 HZ1 A LYS A 73 ? 5.84782 25.81348 19.22770 0.612 32.67218 H ? A ? 74 HZ1 1
   ATOM 2418 HZ2 A LYS A 73 ? 5.62816 24.45334 18.78036 0.612 32.67218 H ? A ? 74 HZ2 1
   ATOM 2419 HZ3 A LYS A 73 ? 5.14140 25.56395 17.98793 0.612 32.67218 H ? A ? 74 HZ3 1
   ATOM 2420 N B LYS A 73 ? 1.49385 23.46574 15.66001 0.388 5.20909 N ? A ? 74 N 1
   ATOM 2421 CA B LYS A 73 ? 1.05133 23.08428 16.99527 0.388 5.42725 C ? A ? 74 CA 1
   ATOM 2422 C B LYS A 73 ? -0.38925 22.57163 16.91225 0.388 4.30525 C ? A ? 74 C 1
   ATOM 2423 O B LYS A 73 ? -1.26370 23.21106 16.29823 0.388 5.11717 O ? A ? 74 O 1
   ATOM 2424 CB B LYS A 73 ? 1.20910 24.23653 17.98531 0.388 6.36825 C ? A ? 74 CB 1
   ATOM 2425 CG B LYS A 73 ? 2.59012 24.40858 18.62054 0.388 10.46402 C ? A ? 74 CG 1
   ATOM 2426 CD B LYS A 73 ? 3.63455 24.68008 17.61037 0.388 15.88841 C ? A ? 74 CD 1
   ATOM 2427 CE B LYS A 73 ? 4.79811 25.43027 18.22666 0.388 22.17475 C ? A ? 74 CE 1
   ATOM 2428 NZ B LYS A 73 ? 5.88449 25.64835 17.21005 0.388 18.19391 N ? A ? 74 NZ 1
   ATOM 2429 H B LYS A 73 ? 1.19313 24.22412 15.38794 0.442 6.25091 H ? A ? 74 H 1
   ATOM 2430 HA B LYS A 73 ? 1.59716 22.35994 17.33920 0.388 6.51270 H ? A ? 74 HA 1
   ATOM 2431 HB2 B LYS A 73 ? 1.00549 25.06294 17.52004 0.388 7.64190 H ? A ? 74 HB2 1
   ATOM 2432 HB3 B LYS A 73 ? 0.57844 24.09944 18.70945 0.388 7.64190 H ? A ? 74 HB3 1
   ATOM 2433 HG2 B LYS A 73 ? 2.56622 25.15513 19.23942 0.388 12.55682 H ? A ? 74 HG2 1
   ATOM 2434 HG3 B LYS A 73 ? 2.82869 23.59480 19.09143 0.388 12.55682 H ? A ? 74 HG3 1
   ATOM 2435 HD2 B LYS A 73 ? 3.96443 23.84121 17.25208 0.388 19.06610 H ? A ? 74 HD2 1
   ATOM 2436 HD3 B LYS A 73 ? 3.26224 25.22192 16.89714 0.388 19.06610 H ? A ? 74 HD3 1
   ATOM 2437 HE2 B LYS A 73 ? 4.49484 26.29491 18.54495 0.388 26.60970 H ? A ? 74 HE2 1
   ATOM 2438 HE3 B LYS A 73 ? 5.16307 24.91502 18.96302 0.388 26.60970 H ? A ? 74 HE3 1
   ATOM 2439 HZ1 B LYS A 73 ? 6.65134 25.28143 17.48709 0.388 21.83269 H ? A ? 74 HZ1 1
   ATOM 2440 N A LEU A 74 ? -0.41740 21.64617 17.60535 0.382 4.77345 N ? A ? 75 N 1
   ATOM 2441 CA A LEU A 74 ? -1.74756 21.07979 17.76201 0.382 4.43759 C ? A ? 75 CA 1
   ATOM 2442 C A LEU A 74 ? -2.14234 21.23651 19.22975 0.382 4.57969 C ? A ? 75 C 1
   ATOM 2443 O A LEU A 74 ? -1.43765 20.71450 20.09768 0.382 5.23734 O ? A ? 75 O 1
   ATOM 2444 CB A LEU A 74 ? -1.74930 19.58633 17.40262 0.382 6.28314 C ? A ? 75 CB 1
   ATOM 2445 CG A LEU A 74 ? -1.32609 19.15677 15.98803 0.382 8.38610 C ? A ? 75 CG 1
   ATOM 2446 CD1 A LEU A 74 ? -1.57413 17.65472 15.69795 0.382 8.36694 C ? A ? 75 CD1 1
   ATOM 2447 CD2 A LEU A 74 ? -1.97213 20.01003 14.88800 0.382 9.23679 C ? A ? 75 CD2 1
   ATOM 2448 HA A LEU A 74 ? -2.37577 21.54423 17.18708 0.382 5.32511 H ? A ? 75 HA 1
   ATOM 2449 HB2 A LEU A 74 ? -1.14551 19.13955 18.01641 0.382 7.53977 H ? A ? 75 HB2 1
   ATOM 2450 HB3 A LEU A 74 ? -2.65343 19.25857 17.52915 0.382 7.53977 H ? A ? 75 HB3 1
   ATOM 2451 HG A LEU A 74 ? -0.36760 19.30301 15.95973 0.382 10.06332 H ? A ? 75 HG 1
   ATOM 2452 HD11 A LEU A 74 ? -1.27548 17.45350 14.79728 0.382 10.04033 H ? A ? 75 HD11 1
   ATOM 2453 HD12 A LEU A 74 ? -1.07590 17.12297 16.33819 0.382 10.04033 H ? A ? 75 HD12 1
   ATOM 2454 HD13 A LEU A 74 ? -2.52264 17.46946 15.78106 0.382 10.04033 H ? A ? 75 HD13 1
   ATOM 2455 HD21 A LEU A 74 ? -1.74809 19.63253 14.02302 0.382 11.08415 H ? A ? 75 HD21 1
   ATOM 2456 HD22 A LEU A 74 ? -2.93433 20.00774 15.01072 0.382 11.08415 H ? A ? 75 HD22 1
   ATOM 2457 HD23 A LEU A 74 ? -1.63276 20.91652 14.95123 0.382 11.08415 H ? A ? 75 HD23 1
   ATOM 2458 N B LEU A 74 ? -0.59594 21.37903 17.47734 0.355 4.12665 N ? A ? 75 N 1
   ATOM 2459 CA B LEU A 74 ? -1.90249 20.78262 17.65681 0.355 4.73844 C ? A ? 75 CA 1
   ATOM 2460 C B LEU A 74 ? -2.28138 20.97629 19.11797 0.355 4.61858 C ? A ? 75 C 1
   ATOM 2461 O B LEU A 74 ? -1.67538 20.34789 19.99669 0.355 4.16402 O ? A ? 75 O 1
   ATOM 2462 CB B LEU A 74 ? -1.84998 19.28737 17.36909 0.355 4.43753 C ? A ? 75 CB 1
   ATOM 2463 CG B LEU A 74 ? -1.16061 18.88700 16.07446 0.355 8.42554 C ? A ? 75 CG 1
   ATOM 2464 CD1 B LEU A 74 ? -1.23853 17.38555 15.98032 0.355 7.45380 C ? A ? 75 CD1 1
   ATOM 2465 CD2 B LEU A 74 ? -1.83843 19.56021 14.91320 0.355 7.32827 C ? A ? 75 CD2 1
   ATOM 2466 HA B LEU A 74 ? -2.54241 21.21064 17.06672 0.355 5.68612 H ? A ? 75 HA 1
   ATOM 2467 HB2 B LEU A 74 ? -1.37314 18.85542 18.09499 0.355 5.32503 H ? A ? 75 HB2 1
   ATOM 2468 HB3 B LEU A 74 ? -2.76013 18.95473 17.32572 0.355 5.32503 H ? A ? 75 HB3 1
   ATOM 2469 HG B LEU A 74 ? -0.23045 19.16105 16.04984 0.355 10.11065 H ? A ? 75 HG 1
   ATOM 2470 HD11 B LEU A 74 ? -0.81299 17.09822 15.15736 0.355 8.94456 H ? A ? 75 HD11 1
   ATOM 2471 HD12 B LEU A 74 ? -0.78101 16.99717 16.74238 0.355 8.94456 H ? A ? 75 HD12 1
   ATOM 2472 HD13 B LEU A 74 ? -2.17061 17.11697 15.98200 0.355 8.94456 H ? A ? 75 HD13 1
   ATOM 2473 HD21 B LEU A 74 ? -1.40959 19.27783 14.09024 0.355 8.79393 H ? A ? 75 HD21 1
   ATOM 2474 HD22 B LEU A 74 ? -2.77431 19.30541 14.90282 0.355 8.79393 H ? A ? 75 HD22 1
   ATOM 2475 HD23 B LEU A 74 ? -1.75846 20.52155 15.01489 0.355 8.79393 H ? A ? 75 HD23 1
   ATOM 2476 N C LEU A 74 ? -0.50494 21.66054 17.59541 0.263 4.68120 N ? A ? 75 N 1
   ATOM 2477 CA C LEU A 74 ? -1.80979 21.06299 17.80235 0.263 4.96627 C ? A ? 75 CA 1
   ATOM 2478 C C LEU A 74 ? -2.22448 21.27421 19.25475 0.263 4.34690 C ? A ? 75 C 1
   ATOM 2479 O C LEU A 74 ? -1.51770 20.84221 20.16197 0.263 5.38914 O ? A ? 75 O 1
   ATOM 2480 CB C LEU A 74 ? -1.78837 19.56642 17.47717 0.263 5.85898 C ? A ? 75 CB 1
   ATOM 2481 CG C LEU A 74 ? -1.91967 19.15475 15.99512 0.263 5.45141 C ? A ? 75 CG 1
   ATOM 2482 CD1 C LEU A 74 ? -0.78170 19.73521 15.12929 0.263 5.02728 C ? A ? 75 CD1 1
   ATOM 2483 CD2 C LEU A 74 ? -2.01777 17.61310 15.86350 0.263 7.45824 C ? A ? 75 CD2 1
   ATOM 2484 HA C LEU A 74 ? -2.46015 21.47340 17.21117 0.263 5.95952 H ? A ? 75 HA 1
   ATOM 2485 HB2 C LEU A 74 ? -0.94533 19.20650 17.79442 0.263 7.03078 H ? A ? 75 HB2 1
   ATOM 2486 HB3 C LEU A 74 ? -2.52583 19.15005 17.95013 0.263 7.03078 H ? A ? 75 HB3 1
   ATOM 2487 HG C LEU A 74 ? -2.74174 19.53210 15.64483 0.263 6.54169 H ? A ? 75 HG 1
   ATOM 2488 HD11 C LEU A 74 ? -0.90018 19.44015 14.21289 0.263 6.03273 H ? A ? 75 HD11 1
   ATOM 2489 HD12 C LEU A 74 ? -0.81503 20.70370 15.17189 0.263 6.03273 H ? A ? 75 HD12 1
   ATOM 2490 HD13 C LEU A 74 ? 0.06872 19.41814 15.47156 0.263 6.03273 H ? A ? 75 HD13 1
   ATOM 2491 HD21 C LEU A 74 ? -2.09723 17.38069 14.92511 0.263 8.94989 H ? A ? 75 HD21 1
   ATOM 2492 HD22 C LEU A 74 ? -1.21700 17.21269 16.23678 0.263 8.94989 H ? A ? 75 HD22 1
   ATOM 2493 HD23 C LEU A 74 ? -2.79902 17.30385 16.34816 0.263 8.94989 H ? A ? 75 HD23 1
   ATOM 2494 N A THR A 75 ? -3.22881 21.96310 19.50769 0.540 4.91353 N ? A ? 76 N 1
   ATOM 2495 CA A THR A 75 ? -3.78596 22.08853 20.84998 0.540 5.51849 C ? A ? 76 CA 1
   ATOM 2496 C A THR A 75 ? -5.02460 21.20965 20.94235 0.540 5.18796 C ? A ? 76 C 1
   ATOM 2497 O A THR A 75 ? -6.00003 21.42988 20.22386 0.540 5.24681 O ? A ? 76 O 1
   ATOM 2498 CB A THR A 75 ? -4.12393 23.54238 21.16909 0.540 6.09732 C ? A ? 76 CB 1
   ATOM 2499 OG1 A THR A 75 ? -2.93843 24.33217 21.03021 0.540 7.24287 O ? A ? 76 OG1 1
   ATOM 2500 CG2 A THR A 75 ? -4.63377 23.68598 22.58227 0.540 5.58873 C ? A ? 76 CG2 1
   ATOM 2501 H A THR A 75 ? -3.67042 22.40368 18.91568 0.382 5.89624 H ? A ? 76 H 1
   ATOM 2502 HA A THR A 75 ? -3.13871 21.78336 21.50484 0.540 6.62219 H ? A ? 76 HA 1
   ATOM 2503 HB A THR A 75 ? -4.81596 23.85154 20.56377 0.540 7.31678 H ? A ? 76 HB 1
   ATOM 2504 HG1 A THR A 75 ? -2.46635 24.03385 20.40272 0.540 8.69145 H ? A ? 76 HG1 1
   ATOM 2505 HG21 A THR A 75 ? -4.66857 24.62350 22.82874 0.540 6.70647 H ? A ? 76 HG21 1
   ATOM 2506 HG22 A THR A 75 ? -5.52443 23.30846 22.65360 0.540 6.70647 H ? A ? 76 HG22 1
   ATOM 2507 HG23 A THR A 75 ? -4.04452 23.22069 23.19643 0.540 6.70647 H ? A ? 76 HG23 1
   ATOM 2508 N B THR A 75 ? -3.29629 21.81798 19.37228 0.460 4.90451 N ? A ? 76 N 1
   ATOM 2509 CA B THR A 75 ? -3.85511 22.00127 20.71565 0.460 5.36445 C ? A ? 76 CA 1
   ATOM 2510 C B THR A 75 ? -5.06458 21.08325 20.82830 0.460 4.95140 C ? A ? 76 C 1
   ATOM 2511 O B THR A 75 ? -6.00749 21.19230 20.03931 0.460 5.27976 O ? A ? 76 O 1
   ATOM 2512 CB B THR A 75 ? -4.24251 23.45540 20.96916 0.460 6.21732 C ? A ? 76 CB 1
   ATOM 2513 OG1 B THR A 75 ? -3.06431 24.27619 20.94932 0.460 7.05771 O ? A ? 76 OG1 1
   ATOM 2514 CG2 B THR A 75 ? -4.90513 23.61159 22.35878 0.460 6.53751 C ? A ? 76 CG2 1
   ATOM 2515 H B THR A 75 ? -3.68124 22.29932 18.77251 0.355 5.88541 H ? A ? 76 H 1
   ATOM 2516 HA B THR A 75 ? -3.19824 21.76696 21.38983 0.460 6.43734 H ? A ? 76 HA 1
   ATOM 2517 HB B THR A 75 ? -4.86712 23.73826 20.28305 0.460 7.46079 H ? A ? 76 HB 1
   ATOM 2518 HG1 B THR A 75 ? -2.52825 23.99527 20.36681 0.460 8.46925 H ? A ? 76 HG1 1
   ATOM 2519 HG21 B THR A 75 ? -4.89389 24.54316 22.62887 0.460 7.84501 H ? A ? 76 HG21 1
   ATOM 2520 HG22 B THR A 75 ? -5.82473 23.30494 22.32418 0.460 7.84501 H ? A ? 76 HG22 1
   ATOM 2521 HG23 B THR A 75 ? -4.42296 23.08713 23.01708 0.460 7.84501 H ? A ? 76 HG23 1
   ATOM 2522 N A ILE A 76 ? -4.95473 20.21076 21.82147 0.519 4.90590 N ? A ? 77 N 1
   ATOM 2523 CA A ILE A 76 ? -5.89897 19.10242 21.85492 0.519 4.66580 C ? A ? 77 CA 1
   ATOM 2524 C A ILE A 76 ? -6.65602 19.11846 23.17787 0.519 4.91359 C ? A ? 77 C 1
   ATOM 2525 O A ILE A 76 ? -6.04691 19.19719 24.24665 0.519 5.35282 O ? A ? 77 O 1
   ATOM 2526 CB A ILE A 76 ? -5.16254 17.76884 21.65082 0.519 5.55955 C ? A ? 77 CB 1
   ATOM 2527 CG1 A ILE A 76 ? -4.54724 17.70877 20.24352 0.519 5.20555 C ? A ? 77 CG1 1
   ATOM 2528 CG2 A ILE A 76 ? -6.07137 16.61634 21.88568 0.519 4.83241 C ? A ? 77 CG2 1
   ATOM 2529 CD1 A ILE A 76 ? -3.60901 16.53909 19.99921 0.519 5.88703 C ? A ? 77 CD1 1
   ATOM 2530 H A ILE A 76 ? -4.34721 20.15437 22.42755 0.540 5.88708 H ? A ? 77 H 1
   ATOM 2531 HA A ILE A 76 ? -6.55929 19.21636 21.15357 0.519 5.59896 H ? A ? 77 HA 1
   ATOM 2532 HB A ILE A 76 ? -4.44468 17.71665 22.30109 0.519 6.67146 H ? A ? 77 HB 1
   ATOM 2533 HG12 A ILE A 76 ? -5.26713 17.64336 19.59670 0.519 6.24666 H ? A ? 77 HG12 1
   ATOM 2534 HG13 A ILE A 76 ? -4.04097 18.52277 20.09526 0.519 6.24666 H ? A ? 77 HG13 1
   ATOM 2535 HG21 A ILE A 76 ? -5.66046 15.81265 21.53054 0.519 5.79889 H ? A ? 77 HG21 1
   ATOM 2536 HG22 A ILE A 76 ? -6.21800 16.51908 22.83959 0.519 5.79889 H ? A ? 77 HG22 1
   ATOM 2537 HG23 A ILE A 76 ? -6.91491 16.78273 21.43662 0.519 5.79889 H ? A ? 77 HG23 1
   ATOM 2538 HD11 A ILE A 76 ? -3.15693 16.66874 19.15085 0.519 7.06443 H ? A ? 77 HD11 1
   ATOM 2539 HD12 A ILE A 76 ? -2.95881 16.50033 20.71798 0.519 7.06443 H ? A ? 77 HD12 1
   ATOM 2540 HD13 A ILE A 76 ? -4.12622 15.71880 19.97645 0.519 7.06443 H ? A ? 77 HD13 1
   ATOM 2541 N B ILE A 76 ? -5.02042 20.17393 21.79577 0.457 4.84405 N ? A ? 77 N 1
   ATOM 2542 CA B ILE A 76 ? -5.93108 19.04180 21.85106 0.457 4.86641 C ? A ? 77 CA 1
   ATOM 2543 C B ILE A 76 ? -6.67166 19.05005 23.17757 0.457 4.87548 C ? A ? 77 C 1
   ATOM 2544 O B ILE A 76 ? -6.04825 19.05415 24.24075 0.457 5.16213 O ? A ? 77 O 1
   ATOM 2545 CB B ILE A 76 ? -5.17296 17.71953 21.67516 0.457 5.51701 C ? A ? 77 CB 1
   ATOM 2546 CG1 B ILE A 76 ? -4.34333 17.75896 20.38791 0.457 5.37159 C ? A ? 77 CG1 1
   ATOM 2547 CG2 B ILE A 76 ? -6.13614 16.53666 21.70581 0.457 5.11082 C ? A ? 77 CG2 1
   ATOM 2548 CD1 B ILE A 76 ? -3.40304 16.59224 20.26403 0.457 6.14346 C ? A ? 77 CD1 1
   ATOM 2549 H B ILE A 76 ? -4.45733 20.19424 22.44548 0.460 5.81286 H ? A ? 77 H 1
   ATOM 2550 HA B ILE A 76 ? -6.58973 19.13630 21.14527 0.457 5.83969 H ? A ? 77 HA 1
   ATOM 2551 HB B ILE A 76 ? -4.55929 17.60462 22.41753 0.457 6.62041 H ? A ? 77 HB 1
   ATOM 2552 HG12 B ILE A 76 ? -4.94290 17.74333 19.62556 0.457 6.44591 H ? A ? 77 HG12 1
   ATOM 2553 HG13 B ILE A 76 ? -3.81504 18.57242 20.37787 0.457 6.44591 H ? A ? 77 HG13 1
   ATOM 2554 HG21 B ILE A 76 ? -5.65518 15.73129 21.45891 0.457 6.13298 H ? A ? 77 HG21 1
   ATOM 2555 HG22 B ILE A 76 ? -6.49588 16.44547 22.60201 0.457 6.13298 H ? A ? 77 HG22 1
   ATOM 2556 HG23 B ILE A 76 ? -6.85545 16.69871 21.07554 0.457 6.13298 H ? A ? 77 HG23 1
   ATOM 2557 HD11 B ILE A 76 ? -2.80149 16.74912 19.51943 0.457 7.37216 H ? A ? 77 HD11 1
   ATOM 2558 HD12 B ILE A 76 ? -2.89601 16.50656 21.08651 0.457 7.37216 H ? A ? 77 HD12 1
   ATOM 2559 HD13 B ILE A 76 ? -3.91915 15.78588 20.10808 0.457 7.37216 H ? A ? 77 HD13 1
   ATOM 2560 N C ILE A 76 ? -5.03648 20.28854 21.76074 0.024 4.94100 N ? A ? 77 N 1
   ATOM 2561 CA C ILE A 76 ? -5.88951 19.10857 21.83557 0.024 4.83736 C ? A ? 77 CA 1
   ATOM 2562 C C ILE A 76 ? -6.68632 19.12548 23.13522 0.024 4.96258 C ? A ? 77 C 1
   ATOM 2563 O C ILE A 76 ? -6.11375 19.11571 24.22413 0.024 5.26308 O ? A ? 77 O 1
   ATOM 2564 CB C ILE A 76 ? -5.06769 17.81568 21.69010 0.024 5.57509 C ? A ? 77 CB 1
   ATOM 2565 CG1 C ILE A 76 ? -4.36985 17.79232 20.32730 0.024 5.31056 C ? A ? 77 CG1 1
   ATOM 2566 CG2 C ILE A 76 ? -5.96062 16.59797 21.86258 0.024 5.08406 C ? A ? 77 CG2 1
   ATOM 2567 CD1 C ILE A 76 ? -3.50266 16.57324 20.08941 0.024 6.09537 C ? A ? 77 CD1 1
   ATOM 2568 HA C ILE A 76 ? -6.52067 19.12700 21.09923 0.024 5.80483 H ? A ? 77 HA 1
   ATOM 2569 HB C ILE A 76 ? -4.39056 17.79463 22.38433 0.024 6.69011 H ? A ? 77 HB 1
   ATOM 2570 HG12 C ILE A 76 ? -5.04669 17.81092 19.63272 0.024 6.37268 H ? A ? 77 HG12 1
   ATOM 2571 HG13 C ILE A 76 ? -3.80117 18.57502 20.25740 0.024 6.37268 H ? A ? 77 HG13 1
   ATOM 2572 HG21 C ILE A 76 ? -5.44700 15.79920 21.66496 0.024 6.10087 H ? A ? 77 HG21 1
   ATOM 2573 HG22 C ILE A 76 ? -6.28011 16.56776 22.77796 0.024 6.10087 H ? A ? 77 HG22 1
   ATOM 2574 HG23 C ILE A 76 ? -6.71137 16.66790 21.25235 0.024 6.10087 H ? A ? 77 HG23 1
   ATOM 2575 HD11 C ILE A 76 ? -2.91334 16.74652 19.33869 0.024 7.31444 H ? A ? 77 HD11 1
   ATOM 2576 HD12 C ILE A 76 ? -2.97938 16.39742 20.88701 0.024 7.31444 H ? A ? 77 HD12 1
   ATOM 2577 HD13 C ILE A 76 ? -4.07292 15.81335 19.89375 0.024 7.31444 H ? A ? 77 HD13 1
   ATOM 2578 N A SER A 77 ? -7.98657 19.05467 23.10350 0.533 5.29830 N ? A ? 78 N 1
   ATOM 2579 CA A SER A 77 ? -8.79500 19.04617 24.29652 0.533 5.92368 C ? A ? 78 CA 1
   ATOM 2580 C A SER A 77 ? -8.62342 17.74078 25.06311 0.533 5.29665 C ? A ? 78 C 1
   ATOM 2581 O A SER A 77 ? -8.34309 16.68886 24.47322 0.533 6.07724 O ? A ? 78 O 1
   ATOM 2582 CB A SER A 77 ? -10.26634 19.21797 23.94723 0.533 7.37418 C ? A ? 78 CB 1
   ATOM 2583 OG A SER A 77 ? -10.76370 18.03503 23.35179 0.533 8.27378 O ? A ? 78 OG 1
   ATOM 2584 H A SER A 77 ? -8.43445 19.01588 22.37037 0.519 6.35796 H ? A ? 78 H 1
   ATOM 2585 HA A SER A 77 ? -8.51498 19.78172 24.86349 0.533 7.10842 H ? A ? 78 HA 1
   ATOM 2586 HB2 A SER A 77 ? -10.76716 19.40245 24.75720 0.533 8.84902 H ? A ? 78 HB2 1
   ATOM 2587 HB3 A SER A 77 ? -10.36225 19.95415 23.32294 0.533 8.84902 H ? A ? 78 HB3 1
   ATOM 2588 HG A SER A 77 ? -11.57285 18.13376 23.14895 0.533 9.92854 H ? A ? 78 HG 1
   ATOM 2589 N B SER A 77 ? -7.99749 19.01102 23.11579 0.467 5.39484 N ? A ? 78 N 1
   ATOM 2590 CA B SER A 77 ? -8.78206 19.01031 24.32249 0.467 5.92248 C ? A ? 78 CA 1
   ATOM 2591 C B SER A 77 ? -8.66112 17.67196 25.04720 0.467 5.60774 C ? A ? 78 C 1
   ATOM 2592 O B SER A 77 ? -8.30020 16.65364 24.45714 0.467 6.00360 O ? A ? 78 O 1
   ATOM 2593 CB B SER A 77 ? -10.24327 19.26454 23.99187 0.467 7.34649 C ? A ? 78 CB 1
   ATOM 2594 OG B SER A 77 ? -10.77554 18.14622 23.30583 0.467 8.73961 O ? A ? 78 OG 1
   ATOM 2595 H B SER A 77 ? -8.45569 18.98482 22.38848 0.457 6.47380 H ? A ? 78 H 1
   ATOM 2596 HA B SER A 77 ? -8.46059 19.71074 24.91152 0.467 7.10697 H ? A ? 78 HA 1
   ATOM 2597 HB2 B SER A 77 ? -10.73903 19.40231 24.81414 0.467 8.81579 H ? A ? 78 HB2 1
   ATOM 2598 HB3 B SER A 77 ? -10.31248 20.05016 23.42714 0.467 8.81579 H ? A ? 78 HB3 1
   ATOM 2599 HG B SER A 77 ? -11.56803 18.30151 23.07463 0.467 10.48753 H ? A ? 78 HG 1
   ATOM 2600 N A PRO A 78 ? -8.87531 17.75459 26.37882 0.496 5.79343 N ? A ? 79 N 1
   ATOM 2601 CA A PRO A 78 ? -8.72144 16.50299 27.14060 0.496 6.34445 C ? A ? 79 CA 1
   ATOM 2602 C A PRO A 78 ? -9.49254 15.35227 26.54034 0.496 4.82368 C ? A ? 79 C 1
   ATOM 2603 O A PRO A 78 ? -8.96372 14.24052 26.47666 0.496 6.01934 O ? A ? 79 O 1
   ATOM 2604 CB A PRO A 78 ? -9.18058 16.89035 28.54560 0.496 6.80808 C ? A ? 79 CB 1
   ATOM 2605 CG A PRO A 78 ? -8.89258 18.30132 28.66325 0.496 8.41434 C ? A ? 79 CG 1
   ATOM 2606 CD A PRO A 78 ? -9.13838 18.89632 27.27097 0.496 6.64030 C ? A ? 79 CD 1
   ATOM 2607 HA A PRO A 78 ? -7.78728 16.24782 27.19659 0.496 7.61334 H ? A ? 79 HA 1
   ATOM 2608 HB2 A PRO A 78 ? -10.13122 16.72192 28.63944 0.496 8.16970 H ? A ? 79 HB2 1
   ATOM 2609 HB3 A PRO A 78 ? -8.68642 16.37978 29.20592 0.496 8.16970 H ? A ? 79 HB3 1
   ATOM 2610 HG2 A PRO A 78 ? -9.48514 18.70274 29.31795 0.496 10.09721 H ? A ? 79 HG2 1
   ATOM 2611 HG3 A PRO A 78 ? -7.96878 18.42544 28.93174 0.496 10.09721 H ? A ? 79 HG3 1
   ATOM 2612 HD2 A PRO A 78 ? -10.05407 19.20348 27.18122 0.496 7.96836 H ? A ? 79 HD2 1
   ATOM 2613 HD3 A PRO A 78 ? -8.52468 19.62581 27.09171 0.496 7.96836 H ? A ? 79 HD3 1
   ATOM 2614 N B PRO A 78 ? -9.03787 17.62595 26.32739 0.504 5.45495 N ? A ? 79 N 1
   ATOM 2615 CA B PRO A 78 ? -8.92717 16.34544 27.05903 0.504 5.33137 C ? A ? 79 CA 1
   ATOM 2616 C B PRO A 78 ? -9.71180 15.24187 26.41911 0.504 5.27012 C ? A ? 79 C 1
   ATOM 2617 O B PRO A 78 ? -9.23364 14.10304 26.34334 0.504 5.96428 O ? A ? 79 O 1
   ATOM 2618 CB B PRO A 78 ? -9.42767 16.68470 28.46123 0.504 6.92072 C ? A ? 79 CB 1
   ATOM 2619 CG B PRO A 78 ? -9.20217 18.16081 28.61397 0.504 7.44612 C ? A ? 79 CG 1
   ATOM 2620 CD B PRO A 78 ? -9.32378 18.76500 27.22433 0.504 7.00148 C ? A ? 79 CD 1
   ATOM 2621 HA B PRO A 78 ? -7.99622 16.08108 27.12504 0.504 6.39764 H ? A ? 79 HA 1
   ATOM 2622 HB2 B PRO A 78 ? -10.37045 16.46891 28.53543 0.504 8.30486 H ? A ? 79 HB2 1
   ATOM 2623 HB3 B PRO A 78 ? -8.92041 16.18678 29.12127 0.504 8.30486 H ? A ? 79 HB3 1
   ATOM 2624 HG2 B PRO A 78 ? -9.87438 18.53170 29.20682 0.504 8.93534 H ? A ? 79 HG2 1
   ATOM 2625 HG3 B PRO A 78 ? -8.31655 18.31746 28.97734 0.504 8.93534 H ? A ? 79 HG3 1
   ATOM 2626 HD2 B PRO A 78 ? -10.21947 19.10562 27.07390 0.504 8.40177 H ? A ? 79 HD2 1
   ATOM 2627 HD3 B PRO A 78 ? -8.67380 19.47399 27.09880 0.504 8.40177 H ? A ? 79 HD3 1
   ATOM 2628 N A ASP A 79 ? -10.73112 15.57158 26.07651 0.554 6.14143 N ? A ? 80 N 1
   ATOM 2629 CA A ASP A 79 ? -11.49202 14.42773 25.57227 0.554 7.74470 C ? A ? 80 CA 1
   ATOM 2630 C A ASP A 79 ? -10.89821 13.84193 24.28700 0.554 6.76377 C ? A ? 80 C 1
   ATOM 2631 O A ASP A 79 ? -11.15682 12.67453 23.98804 0.554 7.19725 O ? A ? 80 O 1
   ATOM 2632 CB A ASP A 79 ? -12.94562 14.79588 25.38884 0.554 8.01193 C ? A ? 80 CB 1
   ATOM 2633 CG A ASP A 79 ? -13.81562 13.58809 25.29223 0.554 10.28902 C ? A ? 80 CG 1
   ATOM 2634 OD1 A ASP A 79 ? -13.85081 12.80344 26.27389 0.554 9.84256 O ? A ? 80 OD1 1
   ATOM 2635 OD2 A ASP A 79 ? -14.42283 13.39390 24.23260 0.554 11.14163 O ? A ? 80 OD2 1
   ATOM 2636 H A ASP A 79 ? -11.12956 16.33310 26.04581 0.496 7.36972 H ? A ? 80 H 1
   ATOM 2637 HA A ASP A 79 ? -11.46597 13.72247 26.23772 0.554 9.29365 H ? A ? 80 HA 1
   ATOM 2638 HB2 A ASP A 79 ? -13.24025 15.32267 26.14817 0.554 9.61431 H ? A ? 80 HB2 1
   ATOM 2639 HB3 A ASP A 79 ? -13.04493 15.30812 24.57114 0.554 9.61431 H ? A ? 80 HB3 1
   ATOM 2640 N B ASP A 79 ? -10.92142 15.51292 25.94653 0.446 5.41064 N ? A ? 80 N 1
   ATOM 2641 CA B ASP A 79 ? -11.66195 14.38182 25.42169 0.446 6.92567 C ? A ? 80 CA 1
   ATOM 2642 C B ASP A 79 ? -11.01625 13.84577 24.16227 0.446 6.78255 C ? A ? 80 C 1
   ATOM 2643 O B ASP A 79 ? -11.31140 12.70945 23.78517 0.446 7.00443 O ? A ? 80 O 1
   ATOM 2644 CB B ASP A 79 ? -13.09596 14.74613 25.17425 0.446 9.06565 C ? A ? 80 CB 1
   ATOM 2645 CG B ASP A 79 ? -13.93167 13.53738 24.91194 0.446 9.49208 C ? A ? 80 CG 1
   ATOM 2646 OD1 B ASP A 79 ? -14.02996 12.61555 25.75164 0.446 11.99309 O ? A ? 80 OD1 1
   ATOM 2647 OD2 B ASP A 79 ? -14.49340 13.48898 23.81817 0.446 12.98181 O ? A ? 80 OD2 1
   ATOM 2648 H B ASP A 79 ? -11.30376 16.28285 25.92141 0.504 6.49276 H ? A ? 80 H 1
   ATOM 2649 HA B ASP A 79 ? -11.67461 13.67322 26.08399 0.446 8.31080 H ? A ? 80 HA 1
   ATOM 2650 HB2 B ASP A 79 ? -13.45114 15.19889 25.95511 0.446 10.87878 H ? A ? 80 HB2 1
   ATOM 2651 HB3 B ASP A 79 ? -13.14999 15.32812 24.40012 0.446 10.87878 H ? A ? 80 HB3 1
   ATOM 2652 N . TYR A 80 ? -10.14373 14.63426 23.53285 1.000 5.83812 N ? A ? 81 N 1
   ATOM 2653 CA . TYR A 80 ? -9.41705 14.19089 22.35682 1.000 6.22378 C ? A ? 81 CA 1
   ATOM 2654 C . TYR A 80 ? -7.99636 13.68290 22.70111 1.000 5.28604 C ? A ? 81 C 1
   ATOM 2655 O . TYR A 80 ? -7.20832 13.38884 21.76231 1.000 5.46445 O ? A ? 81 O 1
   ATOM 2656 CB . TYR A 80 ? -9.44304 15.24565 21.26925 1.000 5.94718 C ? A ? 81 CB 1
   ATOM 2657 CG . TYR A 80 ? -10.76607 15.27020 20.56517 1.000 6.83761 C ? A ? 81 CG 1
   ATOM 2658 CD1 . TYR A 80 ? -11.96007 15.62143 21.22840 1.000 7.64226 C ? A ? 81 CD1 1
   ATOM 2659 CD2 . TYR A 80 ? -10.87708 14.86627 19.25127 1.000 8.91969 C ? A ? 81 CD2 1
   ATOM 2660 CE1 . TYR A 80 ? -13.18706 15.58145 20.60659 1.000 9.62616 C ? A ? 81 CE1 1
   ATOM 2661 CE2 . TYR A 80 ? -12.11541 14.81357 18.61913 1.000 11.04758 C ? A ? 81 CE2 1
   ATOM 2662 CZ . TYR A 80 ? -13.25119 15.17392 19.30608 1.000 9.39551 C ? A ? 81 CZ 1
   ATOM 2663 OH . TYR A 80 ? -14.49955 15.11950 18.67351 1.000 12.50505 O ? A ? 81 OH 1
   ATOM 2664 HA . TYR A 80 ? -9.87444 13.43285 21.96049 1.000 7.46853 H ? A ? 81 HA 1
   ATOM 2665 HB2 . TYR A 80 ? -9.29001 16.11823 21.66432 1.000 7.13662 H ? A ? 81 HB2 1
   ATOM 2666 HB3 . TYR A 80 ? -8.75226 15.05120 20.61663 1.000 7.13662 H ? A ? 81 HB3 1
   ATOM 2667 HD1 . TYR A 80 ? -11.91669 15.88967 22.11782 1.000 9.17071 H ? A ? 81 HD1 1
   ATOM 2668 HD2 . TYR A 80 ? -10.11218 14.62531 18.78034 1.000 10.70363 H ? A ? 81 HD2 1
   ATOM 2669 HE1 . TYR A 80 ? -13.95825 15.82764 21.06435 1.000 11.55139 H ? A ? 81 HE1 1
   ATOM 2670 HE2 . TYR A 80 ? -12.17505 14.53522 17.73377 1.000 13.25710 H ? A ? 81 HE2 1
   ATOM 2671 HH . TYR A 80 ? -14.40085 14.94595 17.85758 1.000 15.00605 H ? A ? 81 HH 1
   ATOM 2672 H A TYR A 80 ? -10.03311 15.47227 23.69134 0.554 7.00575 H ? A ? 81 H 1
   ATOM 2673 H B TYR A 80 ? -9.95790 15.43809 23.77560 0.446 7.00575 H ? A ? 81 H 1
   ATOM 2674 N B ALA A 81 ? -7.73989 13.49640 23.97517 0.615 5.27825 N ? A ? 82 N 1
   ATOM 2675 CA B ALA A 81 ? -6.49459 12.98538 24.50287 0.615 5.44762 C ? A ? 82 CA 1
   ATOM 2676 C B ALA A 81 ? -6.84051 12.06676 25.67023 0.615 5.07670 C ? A ? 82 C 1
   ATOM 2677 O B ALA A 81 ? -7.56777 11.08299 25.48901 0.615 6.44978 O ? A ? 82 O 1
   ATOM 2678 CB B ALA A 81 ? -5.58124 14.13558 24.85587 0.615 5.23764 C ? A ? 82 CB 1
   ATOM 2679 H B ALA A 81 ? -8.30717 13.66900 24.59807 0.615 6.33391 H ? A ? 82 H 1
   ATOM 2680 HA B ALA A 81 ? -5.98907 12.46156 23.86180 0.615 6.53714 H ? A ? 82 HA 1
   ATOM 2681 HB1 B ALA A 81 ? -4.75064 13.78187 25.21068 0.615 6.28516 H ? A ? 82 HB1 1
   ATOM 2682 HB2 B ALA A 81 ? -5.40457 14.65543 24.05622 0.615 6.28516 H ? A ? 82 HB2 1
   ATOM 2683 HB3 B ALA A 81 ? -6.01568 14.69083 25.52209 0.615 6.28516 H ? A ? 82 HB3 1
   ATOM 2684 N C ALA A 81 ? -7.68936 13.60441 23.99022 0.385 5.28261 N ? A ? 82 N 1
   ATOM 2685 CA C ALA A 81 ? -6.39208 13.19971 24.54735 0.385 4.81316 C ? A ? 82 CA 1
   ATOM 2686 C C ALA A 81 ? -6.66256 12.12985 25.61794 0.385 5.42741 C ? A ? 82 C 1
   ATOM 2687 O C ALA A 81 ? -7.18017 11.04150 25.30147 0.385 5.37314 O ? A ? 82 O 1
   ATOM 2688 CB C ALA A 81 ? -5.61009 14.43038 25.03938 0.385 5.67484 C ? A ? 82 CB 1
   ATOM 2689 H C ALA A 81 ? -8.25170 13.79275 24.61303 0.385 6.33914 H ? A ? 82 H 1
   ATOM 2690 HA C ALA A 81 ? -5.80270 12.80256 23.88719 0.385 5.77579 H ? A ? 82 HA 1
   ATOM 2691 HB1 C ALA A 81 ? -4.75941 14.13922 25.40334 0.385 6.80981 H ? A ? 82 HB1 1
   ATOM 2692 HB2 C ALA A 81 ? -5.46203 15.03017 24.29156 0.385 6.80981 H ? A ? 82 HB2 1
   ATOM 2693 HB3 C ALA A 81 ? -6.12741 14.87940 25.72615 0.385 6.80981 H ? A ? 82 HB3 1
   ATOM 2694 N B TYR A 82 ? -6.31966 12.36277 26.87697 0.615 5.32234 N ? A ? 83 N 1
   ATOM 2695 CA B TYR A 82 ? -6.40364 11.43724 28.01914 0.615 5.26807 C ? A ? 83 CA 1
   ATOM 2696 C B TYR A 82 ? -7.54164 11.77476 28.99935 0.615 5.17637 C ? A ? 83 C 1
   ATOM 2697 O B TYR A 82 ? -7.65632 11.14739 30.06746 0.615 5.54153 O ? A ? 83 O 1
   ATOM 2698 CB B TYR A 82 ? -5.03319 11.23968 28.70605 0.615 5.98830 C ? A ? 83 CB 1
   ATOM 2699 CG B TYR A 82 ? -4.01175 10.78512 27.72272 0.615 5.24550 C ? A ? 83 CG 1
   ATOM 2700 CD1 B TYR A 82 ? -3.98931 9.48206 27.22709 0.615 6.13856 C ? A ? 83 CD1 1
   ATOM 2701 CD2 B TYR A 82 ? -3.12666 11.68794 27.13808 0.615 6.38330 C ? A ? 83 CD2 1
   ATOM 2702 CE1 B TYR A 82 ? -3.11097 9.09768 26.24121 0.615 7.15313 C ? A ? 83 CE1 1
   ATOM 2703 CE2 B TYR A 82 ? -2.25774 11.31506 26.13393 0.615 7.02423 C ? A ? 83 CE2 1
   ATOM 2704 CZ B TYR A 82 ? -2.23359 10.01079 25.69627 0.615 7.06561 C ? A ? 83 CZ 1
   ATOM 2705 OH B TYR A 82 ? -1.36212 9.62752 24.68687 0.615 7.99696 O ? A ? 83 OH 1
   ATOM 2706 H B TYR A 82 ? -5.91135 13.09802 27.05667 0.615 6.38680 H ? A ? 83 H 1
   ATOM 2707 HA B TYR A 82 ? -6.62042 10.55668 27.67487 0.615 6.32168 H ? A ? 83 HA 1
   ATOM 2708 HB2 B TYR A 82 ? -4.73955 12.08063 29.09006 0.615 7.18596 H ? A ? 83 HB2 1
   ATOM 2709 HB3 B TYR A 82 ? -5.11350 10.56772 29.40098 0.615 7.18596 H ? A ? 83 HB3 1
   ATOM 2710 HD1 B TYR A 82 ? -4.58420 8.85617 27.57243 0.615 7.36627 H ? A ? 83 HD1 1
   ATOM 2711 HD2 B TYR A 82 ? -3.12145 12.56959 27.43402 0.615 7.65996 H ? A ? 83 HD2 1
   ATOM 2712 HE1 B TYR A 82 ? -3.10885 8.21758 25.94068 0.615 8.58376 H ? A ? 83 HE1 1
   ATOM 2713 HE2 B TYR A 82 ? -1.68880 11.94448 25.75309 0.615 8.42908 H ? A ? 83 HE2 1
   ATOM 2714 HH B TYR A 82 ? -1.38219 10.18822 24.06172 0.615 9.59635 H ? A ? 83 HH 1
   ATOM 2715 N C TYR A 82 ? -6.34743 12.41419 26.88280 0.385 5.24487 N ? A ? 83 N 1
   ATOM 2716 CA C TYR A 82 ? -6.48246 11.41757 27.94431 0.385 4.79473 C ? A ? 83 CA 1
   ATOM 2717 C C TYR A 82 ? -7.56329 11.75848 28.96261 0.385 5.26587 C ? A ? 83 C 1
   ATOM 2718 O C TYR A 82 ? -7.64481 11.12867 30.03174 0.385 5.57659 O ? A ? 83 O 1
   ATOM 2719 CB C TYR A 82 ? -5.12750 11.16470 28.59542 0.385 5.27338 C ? A ? 83 CB 1
   ATOM 2720 CG C TYR A 82 ? -4.12473 10.69526 27.58841 0.385 5.60666 C ? A ? 83 CG 1
   ATOM 2721 CD1 C TYR A 82 ? -4.21041 9.41547 27.03017 0.385 6.01193 C ? A ? 83 CD1 1
   ATOM 2722 CD2 C TYR A 82 ? -3.10261 11.52682 27.14499 0.385 5.85783 C ? A ? 83 CD2 1
   ATOM 2723 CE1 C TYR A 82 ? -3.30975 8.99118 26.08042 0.385 7.40797 C ? A ? 83 CE1 1
   ATOM 2724 CE2 C TYR A 82 ? -2.20468 11.11369 26.18469 0.385 7.01540 C ? A ? 83 CE2 1
   ATOM 2725 CZ C TYR A 82 ? -2.31224 9.83751 25.65374 0.385 6.64814 C ? A ? 83 CZ 1
   ATOM 2726 OH C TYR A 82 ? -1.43379 9.39095 24.69575 0.385 8.48294 O ? A ? 83 OH 1
   ATOM 2727 H C TYR A 82 ? -6.05361 13.17715 27.14956 0.385 6.29385 H ? A ? 83 H 1
   ATOM 2728 HA C TYR A 82 ? -6.76225 10.57648 27.55037 0.385 5.75368 H ? A ? 83 HA 1
   ATOM 2729 HB2 C TYR A 82 ? -4.80225 11.98790 28.99222 0.385 6.32806 H ? A ? 83 HB2 1
   ATOM 2730 HB3 C TYR A 82 ? -5.22059 10.48163 29.27781 0.385 6.32806 H ? A ? 83 HB3 1
   ATOM 2731 HD1 C TYR A 82 ? -4.88808 8.84130 27.30583 0.385 7.21431 H ? A ? 83 HD1 1
   ATOM 2732 HD2 C TYR A 82 ? -3.02308 12.38086 27.50441 0.385 7.02940 H ? A ? 83 HD2 1
   ATOM 2733 HE1 C TYR A 82 ? -3.37512 8.13333 25.72726 0.385 8.88957 H ? A ? 83 HE1 1
   ATOM 2734 HE2 C TYR A 82 ? -1.53175 11.68654 25.89502 0.385 8.41848 H ? A ? 83 HE2 1
   ATOM 2735 HH C TYR A 82 ? -0.66919 9.70907 24.83640 0.385 10.17953 H ? A ? 83 HH 1
   ATOM 2736 N . GLY A 83 ? -8.40251 12.72853 28.64253 1.000 5.71780 N ? A ? 84 N 1
   ATOM 2737 CA . GLY A 83 ? -9.65226 12.89698 29.33247 1.000 5.96997 C ? A ? 84 CA 1
   ATOM 2738 C . GLY A 83 ? -9.47951 13.24673 30.80284 1.000 5.50022 C ? A ? 84 C 1
   ATOM 2739 O . GLY A 83 ? -8.52149 13.86049 31.24456 1.000 5.91361 O ? A ? 84 O 1
   ATOM 2740 HA2 . GLY A 83 ? -10.15622 13.60959 28.90925 1.000 7.16397 H ? A ? 84 HA2 1
   ATOM 2741 HA3 . GLY A 83 ? -10.16122 12.07322 29.27528 1.000 7.16397 H ? A ? 84 HA3 1
   ATOM 2742 H B GLY A 83 ? -8.27560 13.28691 28.00089 0.615 6.86135 H ? A ? 84 H 1
   ATOM 2743 H C GLY A 83 ? -8.26501 13.30683 28.02103 0.385 6.86135 H ? A ? 84 H 1
   ATOM 2744 N . ALA A 84 ? -10.47225 12.82142 31.57851 1.000 5.73369 N ? A ? 85 N 1
   ATOM 2745 CA . ALA A 84 ? -10.49607 13.02644 33.01874 1.000 6.31765 C ? A ? 85 CA 1
   ATOM 2746 C . ALA A 84 ? -9.48557 12.13899 33.72499 1.000 6.04602 C ? A ? 85 C 1
   ATOM 2747 O . ALA A 84 ? -9.23559 12.33525 34.89737 1.000 8.39320 O ? A ? 85 O 1
   ATOM 2748 CB . ALA A 84 ? -11.88619 12.74641 33.56142 1.000 6.54634 C ? A ? 85 CB 1
   ATOM 2749 H . ALA A 84 ? -11.16219 12.39985 31.28547 1.000 6.88042 H ? A ? 85 H 1
   ATOM 2750 HA . ALA A 84 ? -10.28678 13.95316 33.21442 1.000 7.58118 H ? A ? 85 HA 1
   ATOM 2751 HB1 . ALA A 84 ? -11.88311 12.88057 34.52209 1.000 7.85561 H ? A ? 85 HB1 1
   ATOM 2752 HB2 . ALA A 84 ? -12.51639 13.35462 33.14451 1.000 7.85561 H ? A ? 85 HB2 1
   ATOM 2753 HB3 . ALA A 84 ? -12.12645 11.82930 33.35628 1.000 7.85561 H ? A ? 85 HB3 1
   ATOM 2754 N A THR A 85 ? -8.92321 11.14424 33.04096 0.243 6.21106 N ? A ? 86 N 1
   ATOM 2755 CA A THR A 85 ? -7.97511 10.24056 33.66996 0.243 6.17630 C ? A ? 86 CA 1
   ATOM 2756 C A THR A 85 ? -6.55590 10.78084 33.63408 0.243 5.88174 C ? A ? 86 C 1
   ATOM 2757 O A THR A 85 ? -5.81218 10.63199 34.61696 0.243 6.68832 O ? A ? 86 O 1
   ATOM 2758 CB A THR A 85 ? -7.98170 8.88055 32.96031 0.243 6.21720 C ? A ? 86 CB 1
   ATOM 2759 OG1 A THR A 85 ? -9.30025 8.33692 32.99931 0.243 6.36244 O ? A ? 86 OG1 1
   ATOM 2760 CG2 A THR A 85 ? -7.02525 7.91186 33.65284 0.243 7.01869 C ? A ? 86 CG2 1
   ATOM 2761 H A THR A 85 ? -9.07686 10.97514 32.21186 0.243 7.45327 H ? A ? 86 H 1
   ATOM 2762 HA A THR A 85 ? -8.24809 10.11688 34.59250 0.243 7.41156 H ? A ? 86 HA 1
   ATOM 2763 HB A THR A 85 ? -7.69635 8.99182 32.03993 0.243 7.46065 H ? A ? 86 HB 1
   ATOM 2764 HG1 A THR A 85 ? -9.86686 8.95102 32.91314 0.243 7.63493 H ? A ? 86 HG1 1
   ATOM 2765 HG21 A THR A 85 ? -7.19804 7.00510 33.35481 0.243 8.42243 H ? A ? 86 HG21 1
   ATOM 2766 HG22 A THR A 85 ? -6.10746 8.14340 33.44083 0.243 8.42243 H ? A ? 86 HG22 1
   ATOM 2767 HG23 A THR A 85 ? -7.14698 7.95585 34.61417 0.243 8.42243 H ? A ? 86 HG23 1
   ATOM 2768 N B THR A 85 ? -8.92298 11.14661 33.04484 0.757 6.15685 N ? A ? 86 N 1
   ATOM 2769 CA B THR A 85 ? -7.97166 10.24522 33.67373 0.757 6.21550 C ? A ? 86 CA 1
   ATOM 2770 C B THR A 85 ? -6.56653 10.82376 33.69408 0.757 5.96157 C ? A ? 86 C 1
   ATOM 2771 O B THR A 85 ? -5.87970 10.76179 34.72631 0.757 7.04022 O ? A ? 86 O 1
   ATOM 2772 CB B THR A 85 ? -7.96944 8.88892 32.95248 0.757 6.08841 C ? A ? 86 CB 1
   ATOM 2773 OG1 B THR A 85 ? -9.28590 8.34773 32.99370 0.757 6.40452 O ? A ? 86 OG1 1
   ATOM 2774 CG2 B THR A 85 ? -7.06716 7.90306 33.66489 0.757 7.05327 C ? A ? 86 CG2 1
   ATOM 2775 H B THR A 85 ? -9.07626 10.97439 32.21632 0.757 7.38822 H ? A ? 86 H 1
   ATOM 2776 HA B THR A 85 ? -8.25226 10.10675 34.59187 0.757 7.45860 H ? A ? 86 HA 1
   ATOM 2777 HB B THR A 85 ? -7.66029 9.01431 32.04165 0.757 7.30609 H ? A ? 86 HB 1
   ATOM 2778 HG1 B THR A 85 ? -9.85083 8.95639 32.86728 0.757 7.68542 H ? A ? 86 HG1 1
   ATOM 2779 HG21 B THR A 85 ? -7.21008 7.00974 33.31495 0.757 8.46392 H ? A ? 86 HG21 1
   ATOM 2780 HG22 B THR A 85 ? -6.13801 8.14810 33.53247 0.757 8.46392 H ? A ? 86 HG22 1
   ATOM 2781 HG23 B THR A 85 ? -7.26043 7.90344 34.61544 0.757 8.46392 H ? A ? 86 HG23 1
   ATOM 2782 N A GLY A 86 ? -6.16434 11.38707 32.52149 0.243 5.72090 N ? A ? 87 N 1
   ATOM 2783 CA A GLY A 86 ? -4.77747 11.72066 32.28688 0.243 6.01065 C ? A ? 87 CA 1
   ATOM 2784 C A GLY A 86 ? -4.00177 10.46836 31.94220 0.243 6.43792 C ? A ? 87 C 1
   ATOM 2785 O A GLY A 86 ? -4.56369 9.41845 31.63800 0.243 7.37893 O ? A ? 87 O 1
   ATOM 2786 H A GLY A 86 ? -6.69162 11.61677 31.88210 0.243 6.86509 H ? A ? 87 H 1
   ATOM 2787 HA2 A GLY A 86 ? -4.70775 12.34908 31.55127 0.243 7.21278 H ? A ? 87 HA2 1
   ATOM 2788 HA3 A GLY A 86 ? -4.39410 12.12193 33.08244 0.243 7.21278 H ? A ? 87 HA3 1
   ATOM 2789 N B GLY A 86 ? -6.11649 11.37190 32.56484 0.757 5.75624 N ? A ? 87 N 1
   ATOM 2790 CA B GLY A 86 ? -4.70620 11.69979 32.40744 0.757 6.21126 C ? A ? 87 CA 1
   ATOM 2791 C B GLY A 86 ? -3.92413 10.47573 32.02047 0.757 6.21045 C ? A ? 87 C 1
   ATOM 2792 O B GLY A 86 ? -4.48093 9.46580 31.60503 0.757 7.63382 O ? A ? 87 O 1
   ATOM 2793 H B GLY A 86 ? -6.60515 11.56100 31.88289 0.757 6.90749 H ? A ? 87 H 1
   ATOM 2794 HA2 B GLY A 86 ? -4.60001 12.37196 31.71620 0.757 7.45351 H ? A ? 87 HA2 1
   ATOM 2795 HA3 B GLY A 86 ? -4.35409 12.04672 33.24204 0.757 7.45351 H ? A ? 87 HA3 1
   ATOM 2796 N A HIS A 87 ? -2.68461 10.59247 31.99165 0.243 6.69022 N ? A ? 88 N 1
   ATOM 2797 CA A HIS A 87 ? -1.80220 9.46380 31.77511 0.243 7.96060 C ? A ? 88 CA 1
   ATOM 2798 C A HIS A 87 ? -0.96704 9.24628 33.02806 0.243 7.73271 C ? A ? 88 C 1
   ATOM 2799 O A HIS A 87 ? -0.30390 10.18412 33.49303 0.243 8.45008 O ? A ? 88 O 1
   ATOM 2800 CB A HIS A 87 ? -0.88521 9.68696 30.57934 0.243 7.11215 C ? A ? 88 CB 1
   ATOM 2801 CG A HIS A 87 ? -0.25907 8.42606 30.07646 0.243 8.12903 C ? A ? 88 CG 1
   ATOM 2802 ND1 A HIS A 87 ? 0.82251 7.83405 30.68615 0.243 11.90535 N ? A ? 88 ND1 1
   ATOM 2803 CD2 A HIS A 87 ? -0.57829 7.62649 29.03076 0.243 12.47729 C ? A ? 88 CD2 1
   ATOM 2804 CE1 A HIS A 87 ? 1.16476 6.74303 30.01750 0.243 11.68049 C ? A ? 88 CE1 1
   ATOM 2805 NE2 A HIS A 87 ? 0.32600 6.58946 29.01017 0.243 10.32576 N ? A ? 88 NE2 1
   ATOM 2806 H A HIS A 87 ? -2.27505 11.33163 32.15137 0.243 8.02826 H ? A ? 88 H 1
   ATOM 2807 HA A HIS A 87 ? -2.33096 8.67103 31.59393 0.243 9.55272 H ? A ? 88 HA 1
   ATOM 2808 HB2 A HIS A 87 ? -1.40167 10.07361 29.85499 0.243 8.53458 H ? A ? 88 HB2 1
   ATOM 2809 HB3 A HIS A 87 ? -0.17249 10.29182 30.83831 0.243 8.53458 H ? A ? 88 HB3 1
   ATOM 2810 HD1 A HIS A 87 ? 1.21588 8.12708 31.39255 0.243 14.28642 H ? A ? 88 HD1 1
   ATOM 2811 HD2 A HIS A 87 ? -1.28081 7.75499 28.43506 0.243 14.97274 H ? A ? 88 HD2 1
   ATOM 2812 HE1 A HIS A 87 ? 1.87601 6.18025 30.22315 0.243 14.01659 H ? A ? 88 HE1 1
   ATOM 2813 N B HIS A 87 ? -2.61559 10.56635 32.15364 0.757 6.42007 N ? A ? 88 N 1
   ATOM 2814 CA B HIS A 87 ? -1.77716 9.43928 31.83826 0.757 8.23014 C ? A ? 88 CA 1
   ATOM 2815 C B HIS A 87 ? -0.86952 9.24017 33.04036 0.757 7.38151 C ? A ? 88 C 1
   ATOM 2816 O B HIS A 87 ? -0.14789 10.18143 33.42512 0.757 7.93039 O ? A ? 88 O 1
   ATOM 2817 CB B HIS A 87 ? -0.98282 9.64060 30.57117 0.757 7.40397 C ? A ? 88 CB 1
   ATOM 2818 CG B HIS A 87 ? -0.33911 8.39796 30.11320 0.757 8.20418 C ? A ? 88 CG 1
   ATOM 2819 ND1 B HIS A 87 ? 0.75722 7.84720 30.71642 0.757 11.02001 N ? A ? 88 ND1 1
   ATOM 2820 CD2 B HIS A 87 ? -0.61505 7.59826 29.06266 0.757 12.45905 C ? A ? 88 CD2 1
   ATOM 2821 CE1 B HIS A 87 ? 1.18239 6.80495 30.00003 0.757 11.71979 C ? A ? 88 CE1 1
   ATOM 2822 NE2 B HIS A 87 ? 0.34626 6.60900 28.99976 0.757 9.76961 N ? A ? 88 NE2 1
   ATOM 2823 H B HIS A 87 ? -2.19665 11.26727 32.42346 0.757 7.70408 H ? A ? 88 H 1
   ATOM 2824 HA B HIS A 87 ? -2.32263 8.65030 31.69378 0.757 9.87617 H ? A ? 88 HA 1
   ATOM 2825 HB2 B HIS A 87 ? -1.57694 9.94980 29.86951 0.757 8.88477 H ? A ? 88 HB2 1
   ATOM 2826 HB3 B HIS A 87 ? -0.28896 10.29898 30.73242 0.757 8.88477 H ? A ? 88 HB3 1
   ATOM 2827 HD1 B HIS A 87 ? 1.11713 8.12895 31.44490 0.757 13.22401 H ? A ? 88 HD1 1
   ATOM 2828 HD2 B HIS A 87 ? -1.33223 7.69661 28.47881 0.757 14.95086 H ? A ? 88 HD2 1
   ATOM 2829 HE1 B HIS A 87 ? 1.94305 6.30003 30.17709 0.757 14.06375 H ? A ? 88 HE1 1
   ATOM 2830 N A PRO A 88 ? -0.97259 8.04709 33.60536 0.243 7.92952 N ? A ? 89 N 1
   ATOM 2831 CA A PRO A 88 ? -0.25954 7.84268 34.87193 0.243 8.06982 C ? A ? 89 CA 1
   ATOM 2832 C A PRO A 88 ? 1.20967 8.20762 34.73014 0.243 11.93185 C ? A ? 89 C 1
   ATOM 2833 O A PRO A 88 ? 1.89015 7.78626 33.78906 0.243 13.34804 O ? A ? 89 O 1
   ATOM 2834 CB A PRO A 88 ? -0.45154 6.34824 35.15944 0.243 9.40327 C ? A ? 89 CB 1
   ATOM 2835 CG A PRO A 88 ? -0.80544 5.73555 33.84416 0.243 10.73444 C ? A ? 89 CG 1
   ATOM 2836 CD A PRO A 88 ? -1.57791 6.79892 33.10603 0.243 9.59667 C ? A ? 89 CD 1
   ATOM 2837 HA A PRO A 88 ? -0.66365 8.36248 35.58425 0.243 9.68378 H ? A ? 89 HA 1
   ATOM 2838 HB2 A PRO A 88 ? 0.37239 5.97156 35.50604 0.243 11.28392 H ? A ? 89 HB2 1
   ATOM 2839 HB3 A PRO A 88 ? -1.16806 6.22638 35.80182 0.243 11.28392 H ? A ? 89 HB3 1
   ATOM 2840 HG2 A PRO A 88 ? 0.00272 5.49853 33.36292 0.243 12.88133 H ? A ? 89 HG2 1
   ATOM 2841 HG3 A PRO A 88 ? -1.35153 4.94626 33.98456 0.243 12.88133 H ? A ? 89 HG3 1
   ATOM 2842 HD2 A PRO A 88 ? -1.45693 6.71360 32.14740 0.243 11.51601 H ? A ? 89 HD2 1
   ATOM 2843 HD3 A PRO A 88 ? -2.52171 6.75839 33.32623 0.243 11.51601 H ? A ? 89 HD3 1
   ATOM 2844 N B PRO A 88 ? -0.94236 8.09169 33.68815 0.757 7.87494 N ? A ? 89 N 1
   ATOM 2845 CA B PRO A 88 ? -0.20610 7.89787 34.91785 0.757 7.73454 C ? A ? 89 CA 1
   ATOM 2846 C B PRO A 88 ? 1.22932 8.21071 34.62407 0.757 10.31218 C ? A ? 89 C 1
   ATOM 2847 O B PRO A 88 ? 1.77131 7.93294 33.53494 0.757 9.17008 O ? A ? 89 O 1
   ATOM 2848 CB B PRO A 88 ? -0.37997 6.40964 35.23993 0.757 9.22234 C ? A ? 89 CB 1
   ATOM 2849 CG B PRO A 88 ? -0.72706 5.78861 33.96306 0.757 11.04255 C ? A ? 89 CG 1
   ATOM 2850 CD B PRO A 88 ? -1.58762 6.83105 33.26497 0.757 9.45466 C ? A ? 89 CD 1
   ATOM 2851 HA B PRO A 88 ? -0.56669 8.41538 35.65478 0.757 9.28144 H ? A ? 89 HA 1
   ATOM 2852 HB2 B PRO A 88 ? 0.44958 6.04750 35.58865 0.757 11.06681 H ? A ? 89 HB2 1
   ATOM 2853 HB3 B PRO A 88 ? -1.09169 6.29245 35.88849 0.757 11.06681 H ? A ? 89 HB3 1
   ATOM 2854 HG2 B PRO A 88 ? 0.07664 5.60036 33.45363 0.757 13.25106 H ? A ? 89 HG2 1
   ATOM 2855 HG3 B PRO A 88 ? -1.22369 4.96919 34.11408 0.757 13.25106 H ? A ? 89 HG3 1
   ATOM 2856 HD2 B PRO A 88 ? -1.55305 6.72584 32.30131 0.757 11.34559 H ? A ? 89 HD2 1
   ATOM 2857 HD3 B PRO A 88 ? -2.50722 6.78816 33.57060 0.757 11.34559 H ? A ? 89 HD3 1
   ATOM 2858 N A GLY A 89 ? 1.68651 9.02057 35.66596 0.243 12.64189 N ? A ? 90 N 1
   ATOM 2859 CA A GLY A 89 ? 3.08597 9.38913 35.69068 0.243 15.27510 C ? A ? 90 CA 1
   ATOM 2860 C A GLY A 89 ? 3.54520 10.30844 34.58467 0.243 16.17472 C ? A ? 90 C 1
   ATOM 2861 O A GLY A 89 ? 4.75373 10.52409 34.44741 0.243 15.48923 O ? A ? 90 O 1
   ATOM 2862 H A GLY A 89 ? 1.21642 9.36974 36.29580 0.243 15.17027 H ? A ? 90 H 1
   ATOM 2863 HA2 A GLY A 89 ? 3.27139 9.83201 36.53352 0.243 18.33012 H ? A ? 90 HA2 1
   ATOM 2864 HA3 A GLY A 89 ? 3.61715 8.57935 35.63589 0.243 18.33012 H ? A ? 90 HA3 1
   ATOM 2865 N B GLY A 89 ? 1.81004 8.83250 35.61819 0.757 11.78352 N ? A ? 90 N 1
   ATOM 2866 CA B GLY A 89 ? 3.17916 9.22499 35.63968 0.757 13.83212 C ? A ? 90 CA 1
   ATOM 2867 C B GLY A 89 ? 3.52489 10.38443 34.77193 0.757 16.22103 C ? A ? 90 C 1
   ATOM 2868 O B GLY A 89 ? 4.68846 10.78859 34.79316 0.757 19.03914 O ? A ? 90 O 1
   ATOM 2869 H B GLY A 89 ? 1.39803 9.05133 36.34066 0.757 14.14022 H ? A ? 90 H 1
   ATOM 2870 HA2 B GLY A 89 ? 3.41885 9.45805 36.55025 0.757 16.59854 H ? A ? 90 HA2 1
   ATOM 2871 HA3 B GLY A 89 ? 3.72018 8.47248 35.35345 0.757 16.59854 H ? A ? 90 HA3 1
   ATOM 2872 N A ILE A 90 ? 2.63285 10.87157 33.79103 0.243 12.42877 N ? A ? 91 N 1
   ATOM 2873 CA A ILE A 90 ? 3.02557 11.76485 32.70524 0.243 12.13138 C ? A ? 91 CA 1
   ATOM 2874 C A ILE A 90 ? 2.13150 13.00782 32.71505 0.243 9.94370 C ? A ? 91 C 1
   ATOM 2875 O A ILE A 90 ? 2.62713 14.13735 32.84944 0.243 11.70464 O ? A ? 91 O 1
   ATOM 2876 CB A ILE A 90 ? 2.97867 11.03931 31.34417 0.243 12.75298 C ? A ? 91 CB 1
   ATOM 2877 CG1 A ILE A 90 ? 3.78100 9.72846 31.38264 0.243 14.39107 C ? A ? 91 CG1 1
   ATOM 2878 CG2 A ILE A 90 ? 3.52237 11.93446 30.23635 0.243 13.03669 C ? A ? 91 CG2 1
   ATOM 2879 CD1 A ILE A 90 ? 5.28350 9.90924 31.39039 0.243 16.03628 C ? A ? 91 CD1 1
   ATOM 2880 H A ILE A 90 ? 1.78430 10.75125 33.86239 0.243 14.91452 H ? A ? 91 H 1
   ATOM 2881 HA A ILE A 90 ? 3.93744 12.06044 32.85366 0.243 14.55766 H ? A ? 91 HA 1
   ATOM 2882 HB A ILE A 90 ? 2.04895 10.83044 31.16280 0.243 15.30358 H ? A ? 91 HB 1
   ATOM 2883 HG12 A ILE A 90 ? 3.54073 9.24310 32.18738 0.243 17.26929 H ? A ? 91 HG12 1
   ATOM 2884 HG13 A ILE A 90 ? 3.55358 9.20435 30.59875 0.243 17.26929 H ? A ? 91 HG13 1
   ATOM 2885 HG21 A ILE A 90 ? 3.37621 11.50192 29.38053 0.243 15.64403 H ? A ? 91 HG21 1
   ATOM 2886 HG22 A ILE A 90 ? 3.05700 12.78518 30.26078 0.243 15.64403 H ? A ? 91 HG22 1
   ATOM 2887 HG23 A ILE A 90 ? 4.47179 12.07256 30.37932 0.243 15.64403 H ? A ? 91 HG23 1
   ATOM 2888 HD11 A ILE A 90 ? 5.69853 9.09007 31.70281 0.243 19.24354 H ? A ? 91 HD11 1
   ATOM 2889 HD12 A ILE A 90 ? 5.58223 10.10863 30.48933 0.243 19.24354 H ? A ? 91 HD12 1
   ATOM 2890 HD13 A ILE A 90 ? 5.51033 10.64220 31.98387 0.243 19.24354 H ? A ? 91 HD13 1
   ATOM 2891 N B ILE A 90 ? 2.58664 10.94432 33.99848 0.757 10.46255 N ? A ? 91 N 1
   ATOM 2892 CA B ILE A 90 ? 3.03292 11.85021 32.94204 0.757 11.84866 C ? A ? 91 CA 1
   ATOM 2893 C B ILE A 90 ? 2.15653 13.08497 32.72306 0.757 9.26415 C ? A ? 91 C 1
   ATOM 2894 O B ILE A 90 ? 2.69338 14.17162 32.44984 0.757 10.08433 O ? A ? 91 O 1
   ATOM 2895 CB B ILE A 90 ? 3.16388 11.09195 31.59977 0.757 12.89824 C ? A ? 91 CB 1
   ATOM 2896 CG1 B ILE A 90 ? 3.96782 9.78675 31.65973 0.757 15.35584 C ? A ? 91 CG1 1
   ATOM 2897 CG2 B ILE A 90 ? 3.81226 11.98475 30.53296 0.757 13.57801 C ? A ? 91 CG2 1
   ATOM 2898 CD1 B ILE A 90 ? 5.43216 9.98131 31.96595 0.757 20.84502 C ? A ? 91 CD1 1
   ATOM 2899 H B ILE A 90 ? 1.73818 10.82052 34.06470 0.757 12.55506 H ? A ? 91 H 1
   ATOM 2900 HA B ILE A 90 ? 3.88193 12.19264 33.26271 0.757 14.21840 H ? A ? 91 HA 1
   ATOM 2901 HB B ILE A 90 ? 2.24889 10.85803 31.37847 0.757 15.47789 H ? A ? 91 HB 1
   ATOM 2902 HG12 B ILE A 90 ? 3.59358 9.22272 32.35451 0.757 18.42700 H ? A ? 91 HG12 1
   ATOM 2903 HG13 B ILE A 90 ? 3.90278 9.34177 30.80028 0.757 18.42700 H ? A ? 91 HG13 1
   ATOM 2904 HG21 B ILE A 90 ? 3.99681 11.45115 29.74422 0.757 16.29361 H ? A ? 91 HG21 1
   ATOM 2905 HG22 B ILE A 90 ? 3.20155 12.70459 30.30987 0.757 16.29361 H ? A ? 91 HG22 1
   ATOM 2906 HG23 B ILE A 90 ? 4.63867 12.34963 30.88626 0.757 16.29361 H ? A ? 91 HG23 1
   ATOM 2907 HD11 B ILE A 90 ? 5.80053 9.14512 32.29150 0.757 25.01402 H ? A ? 91 HD11 1
   ATOM 2908 HD12 B ILE A 90 ? 5.89112 10.25159 31.15527 0.757 25.01402 H ? A ? 91 HD12 1
   ATOM 2909 HD13 B ILE A 90 ? 5.52442 10.66941 32.64337 0.757 25.01402 H ? A ? 91 HD13 1
   ATOM 2910 N A ILE A 91 ? 0.82114 12.80784 32.57071 0.243 7.60879 N ? A ? 92 N 1
   ATOM 2911 CA A ILE A 91 ? -0.11365 13.88436 32.26591 0.243 6.95598 C ? A ? 92 CA 1
   ATOM 2912 C A ILE A 91 ? -1.19280 13.98208 33.33949 0.243 6.61659 C ? A ? 92 C 1
   ATOM 2913 O A ILE A 91 ? -1.78363 12.96365 33.71465 0.243 6.08276 O ? A ? 92 O 1
   ATOM 2914 CB A ILE A 91 ? -0.73070 13.65517 30.87808 0.243 7.00769 C ? A ? 92 CB 1
   ATOM 2915 CG1 A ILE A 91 ? 0.36316 13.73393 29.81561 0.243 8.77365 C ? A ? 92 CG1 1
   ATOM 2916 CG2 A ILE A 91 ? -1.82586 14.67536 30.61621 0.243 6.48649 C ? A ? 92 CG2 1
   ATOM 2917 CD1 A ILE A 91 ? -0.06458 13.32754 28.43789 0.243 8.49495 C ? A ? 92 CD1 1
   ATOM 2918 H A ILE A 91 ? 0.44309 12.03915 32.64677 0.243 9.13055 H ? A ? 92 H 1
   ATOM 2919 HA A ILE A 91 ? 0.36472 14.72807 32.28026 0.243 8.34718 H ? A ? 92 HA 1
   ATOM 2920 HB A ILE A 91 ? -1.13087 12.77220 30.84472 0.243 8.40923 H ? A ? 92 HB 1
   ATOM 2921 HG12 A ILE A 91 ? 0.67674 14.65042 29.76460 0.243 10.52837 H ? A ? 92 HG12 1
   ATOM 2922 HG13 A ILE A 91 ? 1.09039 13.14864 30.07917 0.243 10.52837 H ? A ? 92 HG13 1
   ATOM 2923 HG21 A ILE A 91 ? -2.08074 14.63212 29.68129 0.243 7.78379 H ? A ? 92 HG21 1
   ATOM 2924 HG22 A ILE A 91 ? -2.58992 14.46951 31.17722 0.243 7.78379 H ? A ? 92 HG22 1
   ATOM 2925 HG23 A ILE A 91 ? -1.48977 15.56056 30.82683 0.243 7.78379 H ? A ? 92 HG23 1
   ATOM 2926 HD11 A ILE A 91 ? 0.72343 13.20719 27.88520 0.243 10.19394 H ? A ? 92 HD11 1
   ATOM 2927 HD12 A ILE A 91 ? -0.55979 12.49533 28.49357 0.243 10.19394 H ? A ? 92 HD12 1
   ATOM 2928 HD13 A ILE A 91 ? -0.62775 14.02319 28.06400 0.243 10.19394 H ? A ? 92 HD13 1
   ATOM 2929 N B ILE A 91 ? 0.82658 12.92148 32.75190 0.757 7.06988 N ? A ? 92 N 1
   ATOM 2930 CA B ILE A 91 ? -0.12103 13.95939 32.32711 0.757 6.68479 C ? A ? 92 CA 1
   ATOM 2931 C B ILE A 91 ? -1.27012 13.97881 33.32477 0.757 6.43394 C ? A ? 92 C 1
   ATOM 2932 O B ILE A 91 ? -1.86079 12.92588 33.59745 0.757 6.20662 O ? A ? 92 O 1
   ATOM 2933 CB B ILE A 91 ? -0.68382 13.63859 30.92458 0.757 6.91809 C ? A ? 92 CB 1
   ATOM 2934 CG1 B ILE A 91 ? 0.43302 13.72860 29.90032 0.757 8.68352 C ? A ? 92 CG1 1
   ATOM 2935 CG2 B ILE A 91 ? -1.82195 14.59901 30.57314 0.757 6.47164 C ? A ? 92 CG2 1
   ATOM 2936 CD1 B ILE A 91 ? 0.04439 13.24365 28.53112 0.757 8.27183 C ? A ? 92 CD1 1
   ATOM 2937 H B ILE A 91 ? 0.44065 12.20116 33.01985 0.757 8.48386 H ? A ? 92 H 1
   ATOM 2938 HA B ILE A 91 ? 0.32835 14.81892 32.31384 0.757 8.02175 H ? A ? 92 HA 1
   ATOM 2939 HB B ILE A 91 ? -1.04096 12.73673 30.92361 0.757 8.30170 H ? A ? 92 HB 1
   ATOM 2940 HG12 B ILE A 91 ? 0.70670 14.65561 29.81876 0.757 10.42022 H ? A ? 92 HG12 1
   ATOM 2941 HG13 B ILE A 91 ? 1.17878 13.18805 30.20455 0.757 10.42022 H ? A ? 92 HG13 1
   ATOM 2942 HG21 B ILE A 91 ? -2.03790 14.50201 29.63247 0.757 7.76597 H ? A ? 92 HG21 1
   ATOM 2943 HG22 B ILE A 91 ? -2.59695 14.38186 31.11454 0.757 7.76597 H ? A ? 92 HG22 1
   ATOM 2944 HG23 B ILE A 91 ? -1.53569 15.50783 30.75479 0.757 7.76597 H ? A ? 92 HG23 1
   ATOM 2945 HD11 B ILE A 91 ? 0.84425 13.15019 27.99039 0.757 9.92620 H ? A ? 92 HD11 1
   ATOM 2946 HD12 B ILE A 91 ? -0.40064 12.38581 28.61447 0.757 9.92620 H ? A ? 92 HD12 1
   ATOM 2947 HD13 B ILE A 91 ? -0.55530 13.88940 28.12582 0.757 9.92620 H ? A ? 92 HD13 1
   ATOM 2948 N A PRO A 92 ? -1.48145 15.18040 33.85183 0.243 7.13203 N ? A ? 93 N 1
   ATOM 2949 CA A PRO A 92 ? -2.51136 15.32419 34.87901 0.243 7.20337 C ? A ? 93 CA 1
   ATOM 2950 C A PRO A 92 ? -3.89401 15.05543 34.31858 0.243 6.10616 C ? A ? 93 C 1
   ATOM 2951 O A PRO A 92 ? -4.09789 15.05679 33.09115 0.243 6.12333 O ? A ? 93 O 1
   ATOM 2952 CB A PRO A 92 ? -2.38348 16.79229 35.31502 0.243 8.46608 C ? A ? 93 CB 1
   ATOM 2953 CG A PRO A 92 ? -1.03210 17.23408 34.85263 0.243 7.12044 C ? A ? 93 CG 1
   ATOM 2954 CD A PRO A 92 ? -0.75006 16.44430 33.61230 0.243 7.98440 C ? A ? 93 CD 1
   ATOM 2955 HA A PRO A 92 ? -2.33032 14.73131 35.62508 0.243 8.64404 H ? A ? 93 HA 1
   ATOM 2956 HB2 A PRO A 92 ? -3.08092 17.32033 34.89591 0.243 10.15930 H ? A ? 93 HB2 1
   ATOM 2957 HB3 A PRO A 92 ? -2.45497 16.85464 36.28037 0.243 10.15930 H ? A ? 93 HB3 1
   ATOM 2958 HG2 A PRO A 92 ? -1.04626 18.18456 34.65956 0.243 8.54453 H ? A ? 93 HG2 1
   ATOM 2959 HG3 A PRO A 92 ? -0.37287 17.04465 35.53851 0.243 8.54453 H ? A ? 93 HG3 1
   ATOM 2960 HD2 A PRO A 92 ? -1.09172 16.89902 32.82655 0.243 9.58129 H ? A ? 93 HD2 1
   ATOM 2961 HD3 A PRO A 92 ? 0.20105 16.28120 33.51390 0.243 9.58129 H ? A ? 93 HD3 1
   ATOM 2962 N B PRO A 92 ? -1.64269 15.12985 33.85693 0.757 7.11618 N ? A ? 93 N 1
   ATOM 2963 CA B PRO A 92 ? -2.71698 15.16875 34.84824 0.757 7.19169 C ? A ? 93 CA 1
   ATOM 2964 C B PRO A 92 ? -4.09189 14.95797 34.24048 0.757 5.57673 C ? A ? 93 C 1
   ATOM 2965 O B PRO A 92 ? -4.31793 15.07647 33.01835 0.757 6.01755 O ? A ? 93 O 1
   ATOM 2966 CB B PRO A 92 ? -2.57682 16.57023 35.46067 0.757 9.18994 C ? A ? 93 CB 1
   ATOM 2967 CG B PRO A 92 ? -1.94015 17.37766 34.40066 0.757 10.54855 C ? A ? 93 CG 1
   ATOM 2968 CD B PRO A 92 ? -1.04797 16.46280 33.61416 0.757 8.21090 C ? A ? 93 CD 1
   ATOM 2969 HA B PRO A 92 ? -2.57142 14.48711 35.52283 0.757 8.63003 H ? A ? 93 HA 1
   ATOM 2970 HB2 B PRO A 92 ? -3.45171 16.92171 35.68858 0.757 11.02792 H ? A ? 93 HB2 1
   ATOM 2971 HB3 B PRO A 92 ? -2.01811 16.53185 36.25267 0.757 11.02792 H ? A ? 93 HB3 1
   ATOM 2972 HG2 B PRO A 92 ? -2.62675 17.75423 33.82823 0.757 12.65826 H ? A ? 93 HG2 1
   ATOM 2973 HG3 B PRO A 92 ? -1.42061 18.08866 34.80741 0.757 12.65826 H ? A ? 93 HG3 1
   ATOM 2974 HD2 B PRO A 92 ? -1.06942 16.68508 32.67022 0.757 9.85308 H ? A ? 93 HD2 1
   ATOM 2975 HD3 B PRO A 92 ? -0.13630 16.50062 33.94327 0.757 9.85308 H ? A ? 93 HD3 1
   ATOM 2976 N A PRO A 93 ? -4.88039 14.86174 35.20012 0.243 5.86554 N ? A ? 94 N 1
   ATOM 2977 CA A PRO A 93 ? -6.26805 14.75973 34.72941 0.243 6.25090 C ? A ? 94 CA 1
   ATOM 2978 C A PRO A 93 ? -6.74664 16.06035 34.09670 0.243 5.96712 C ? A ? 94 C 1
   ATOM 2979 O A PRO A 93 ? -6.31888 17.15196 34.47087 0.243 6.86160 O ? A ? 94 O 1
   ATOM 2980 CB A PRO A 93 ? -7.05906 14.43576 36.00111 0.243 7.12570 C ? A ? 94 CB 1
   ATOM 2981 CG A PRO A 93 ? -6.04684 13.86518 36.95120 0.243 8.46395 C ? A ? 94 CG 1
   ATOM 2982 CD A PRO A 93 ? -4.76779 14.61268 36.64374 0.243 7.08586 C ? A ? 94 CD 1
   ATOM 2983 HA A PRO A 93 ? -6.35712 14.03409 34.09190 0.243 7.50107 H ? A ? 94 HA 1
   ATOM 2984 HB2 A PRO A 93 ? -7.45426 15.24575 36.35978 0.243 8.55084 H ? A ? 94 HB2 1
   ATOM 2985 HB3 A PRO A 93 ? -7.75304 13.78780 35.80252 0.243 8.55084 H ? A ? 94 HB3 1
   ATOM 2986 HG2 A PRO A 93 ? -6.32776 14.01857 37.86688 0.243 10.15673 H ? A ? 94 HG2 1
   ATOM 2987 HG3 A PRO A 93 ? -5.94090 12.91430 36.79155 0.243 10.15673 H ? A ? 94 HG3 1
   ATOM 2988 HD2 A PRO A 93 ? -4.72466 15.44613 37.13811 0.243 8.50303 H ? A ? 94 HD2 1
   ATOM 2989 HD3 A PRO A 93 ? -3.99023 14.06809 36.84308 0.243 8.50303 H ? A ? 94 HD3 1
   ATOM 2990 N B PRO A 93 ? -5.06250 14.66850 35.11925 0.757 6.33050 N ? A ? 94 N 1
   ATOM 2991 CA B PRO A 93 ? -6.46713 14.73071 34.70084 0.757 6.69874 C ? A ? 94 CA 1
   ATOM 2992 C B PRO A 93 ? -6.81874 16.03666 34.01066 0.757 6.00972 C ? A ? 94 C 1
   ATOM 2993 O B PRO A 93 ? -6.31855 17.08989 34.37973 0.757 6.68065 O ? A ? 94 O 1
   ATOM 2994 CB B PRO A 93 ? -7.21991 14.58767 36.02079 0.757 6.94775 C ? A ? 94 CB 1
   ATOM 2995 CG B PRO A 93 ? -6.27971 13.79557 36.89632 0.757 8.57135 C ? A ? 94 CG 1
   ATOM 2996 CD B PRO A 93 ? -4.93640 14.39335 36.55916 0.757 7.09313 C ? A ? 94 CD 1
   ATOM 2997 HA B PRO A 93 ? -6.66901 13.99433 34.10259 0.757 8.03849 H ? A ? 94 HA 1
   ATOM 2998 HB2 B PRO A 93 ? -7.39828 15.46256 36.39981 0.757 8.33730 H ? A ? 94 HB2 1
   ATOM 2999 HB3 B PRO A 93 ? -8.05290 14.11100 35.88002 0.757 8.33730 H ? A ? 94 HB3 1
   ATOM 3000 HG2 B PRO A 93 ? -6.49967 13.92071 37.83272 0.757 10.28562 H ? A ? 94 HG2 1
   ATOM 3001 HG3 B PRO A 93 ? -6.31640 12.85306 36.66999 0.757 10.28562 H ? A ? 94 HG3 1
   ATOM 3002 HD2 B PRO A 93 ? -4.78412 15.21123 37.05794 0.757 8.51176 H ? A ? 94 HD2 1
   ATOM 3003 HD3 B PRO A 93 ? -4.22090 13.76151 36.73160 0.757 8.51176 H ? A ? 94 HD3 1
   ATOM 3004 N A HIS A 94 ? -7.65647 15.92888 33.13221 0.243 5.85529 N ? A ? 95 N 1
   ATOM 3005 CA A HIS A 94 ? -8.28769 17.06772 32.47318 0.243 6.06582 C ? A ? 95 CA 1
   ATOM 3006 C A HIS A 94 ? -7.25330 18.02795 31.88245 0.243 5.31719 C ? A ? 95 C 1
   ATOM 3007 O A HIS A 94 ? -7.30152 19.23362 32.11826 0.243 4.35725 O ? A ? 95 O 1
   ATOM 3008 CB A HIS A 94 ? -9.22835 17.82495 33.41238 0.243 7.89704 C ? A ? 95 CB 1
   ATOM 3009 CG A HIS A 94 ? -10.26059 16.97722 34.07534 0.243 10.50618 C ? A ? 95 CG 1
   ATOM 3010 ND1 A HIS A 94 ? -11.53812 16.84199 33.57685 0.243 11.61427 N ? A ? 95 ND1 1
   ATOM 3011 CD2 A HIS A 94 ? -10.22274 16.24874 35.21595 0.243 10.95149 C ? A ? 95 CD2 1
   ATOM 3012 CE1 A HIS A 94 ? -12.23687 16.04935 34.36752 0.243 9.99450 C ? A ? 95 CE1 1
   ATOM 3013 NE2 A HIS A 94 ? -11.46441 15.68481 35.37848 0.243 8.92305 N ? A ? 95 NE2 1
   ATOM 3014 H A HIS A 94 ? -7.93095 15.16985 32.83533 0.243 7.02635 H ? A ? 95 H 1
   ATOM 3015 HA A HIS A 94 ? -8.81484 16.70932 31.74204 0.243 7.27899 H ? A ? 95 HA 1
   ATOM 3016 HB2 A HIS A 94 ? -8.69843 18.23993 34.11087 0.243 9.47645 H ? A ? 95 HB2 1
   ATOM 3017 HB3 A HIS A 94 ? -9.69350 18.50504 32.90051 0.243 9.47645 H ? A ? 95 HB3 1
   ATOM 3018 HD2 A HIS A 94 ? -9.49258 16.14891 35.78321 0.243 13.14178 H ? A ? 95 HD2 1
   ATOM 3019 HE1 A HIS A 94 ? -13.12068 15.79117 34.23671 0.243 11.99340 H ? A ? 95 HE1 1
   ATOM 3020 HE2 A HIS A 94 ? -11.70144 15.17732 36.03106 0.243 10.70766 H ? A ? 95 HE2 1
   ATOM 3021 N B HIS A 94 ? -7.73655 15.96794 33.02805 0.757 5.77047 N ? A ? 95 N 1
   ATOM 3022 CA B HIS A 94 ? -8.35345 17.13433 32.40603 0.757 5.92170 C ? A ? 95 CA 1
   ATOM 3023 C B HIS A 94 ? -7.35067 18.05700 31.72551 0.757 5.30618 C ? A ? 95 C 1
   ATOM 3024 O B HIS A 94 ? -7.51360 19.27115 31.75362 0.757 7.26828 O ? A ? 95 O 1
   ATOM 3025 CB B HIS A 94 ? -9.19623 17.93471 33.38669 0.757 7.93288 C ? A ? 95 CB 1
   ATOM 3026 CG B HIS A 94 ? -10.08369 17.11546 34.23852 0.757 11.92260 C ? A ? 95 CG 1
   ATOM 3027 ND1 B HIS A 94 ? -11.23820 16.54616 33.75390 0.757 13.12546 N ? A ? 95 ND1 1
   ATOM 3028 CD2 B HIS A 94 ? -10.01335 16.76339 35.54184 0.757 15.01526 C ? A ? 95 CD2 1
   ATOM 3029 CE1 B HIS A 94 ? -11.83847 15.88108 34.71901 0.757 13.00644 C ? A ? 95 CE1 1
   ATOM 3030 NE2 B HIS A 94 ? -11.11485 15.99686 35.82332 0.757 15.84142 N ? A ? 95 NE2 1
   ATOM 3031 H B HIS A 94 ? -8.02253 15.22661 32.69905 0.757 6.92456 H ? A ? 95 H 1
   ATOM 3032 HA B HIS A 94 ? -8.93325 16.78047 31.71356 0.757 7.10604 H ? A ? 95 HA 1
   ATOM 3033 HB2 B HIS A 94 ? -8.60261 18.43007 33.97248 0.757 9.51946 H ? A ? 95 HB2 1
   ATOM 3034 HB3 B HIS A 94 ? -9.75548 18.54837 32.88514 0.757 9.51946 H ? A ? 95 HB3 1
   ATOM 3035 HD1 B HIS A 94 ? -11.52386 16.61404 32.94558 0.757 15.75055 H ? A ? 95 HD1 1
   ATOM 3036 HD2 B HIS A 94 ? -9.34022 16.99839 36.13898 0.757 18.01832 H ? A ? 95 HD2 1
   ATOM 3037 HE1 B HIS A 94 ? -12.63603 15.40947 34.63914 0.757 15.60773 H ? A ? 95 HE1 1
   ATOM 3038 N . ALA A 95 ? -6.32844 17.48353 31.10106 1.000 5.47110 N ? A ? 96 N 1
   ATOM 3039 CA . ALA A 95 ? -5.23672 18.25496 30.52541 1.000 5.87293 C ? A ? 96 CA 1
   ATOM 3040 C . ALA A 95 ? -5.42072 18.49309 29.02944 1.000 5.61585 C ? A ? 96 C 1
   ATOM 3041 O . ALA A 95 ? -5.44327 17.54412 28.23374 1.000 6.25161 O ? A ? 96 O 1
   ATOM 3042 CB . ALA A 95 ? -3.90975 17.54379 30.75603 1.000 6.62768 C ? A ? 96 CB 1
   ATOM 3043 HA . ALA A 95 ? -5.24544 19.12515 30.95389 1.000 7.04751 H ? A ? 96 HA 1
   ATOM 3044 HB1 . ALA A 95 ? -3.19410 18.08173 30.38272 1.000 7.95321 H ? A ? 96 HB1 1
   ATOM 3045 HB2 . ALA A 95 ? -3.77446 17.42914 31.70968 1.000 7.95321 H ? A ? 96 HB2 1
   ATOM 3046 HB3 . ALA A 95 ? -3.93529 16.67813 30.31914 1.000 7.95321 H ? A ? 96 HB3 1
   ATOM 3047 H A ALA A 95 ? -6.31301 16.65097 30.88611 0.243 6.56531 H ? A ? 96 H 1
   ATOM 3048 H B ALA A 95 ? -6.24468 16.63397 30.99697 0.757 6.56531 H ? A ? 96 H 1
   ATOM 3049 N A THR A 96 ? -5.45320 19.75207 28.64448 0.698 5.13592 N ? A ? 97 N 1
   ATOM 3050 CA A THR A 96 ? -5.27518 20.12343 27.24939 0.698 5.37263 C ? A ? 97 CA 1
   ATOM 3051 C A THR A 96 ? -3.80966 19.95520 26.89015 0.698 5.46382 C ? A ? 97 C 1
   ATOM 3052 O A THR A 96 ? -2.92859 20.40488 27.62718 0.698 6.86312 O ? A ? 97 O 1
   ATOM 3053 CB A THR A 96 ? -5.67952 21.57897 27.03570 0.698 6.68274 C ? A ? 97 CB 1
   ATOM 3054 OG1 A THR A 96 ? -7.10656 21.66660 26.92974 0.698 6.38137 O ? A ? 97 OG1 1
   ATOM 3055 CG2 A THR A 96 ? -5.04206 22.17355 25.77590 0.698 6.23728 C ? A ? 97 CG2 1
   ATOM 3056 H A THR A 96 ? -5.57755 20.41959 29.17225 0.698 6.16310 H ? A ? 97 H 1
   ATOM 3057 HA A THR A 96 ? -5.82765 19.56437 26.68094 0.698 6.44716 H ? A ? 97 HA 1
   ATOM 3058 HB A THR A 96 ? -5.36736 22.10039 27.79172 0.698 8.01929 H ? A ? 97 HB 1
   ATOM 3059 HG1 A THR A 96 ? -7.46823 21.17387 27.50595 0.698 7.65765 H ? A ? 97 HG1 1
   ATOM 3060 HG21 A THR A 96 ? -5.41333 23.05210 25.59925 0.698 7.48473 H ? A ? 97 HG21 1
   ATOM 3061 HG22 A THR A 96 ? -4.08307 22.25548 25.89639 0.698 7.48473 H ? A ? 97 HG22 1
   ATOM 3062 HG23 A THR A 96 ? -5.21565 21.59936 25.01363 0.698 7.48473 H ? A ? 97 HG23 1
   ATOM 3063 N B THR A 96 ? -5.45823 19.76449 28.66068 0.302 5.15380 N ? A ? 97 N 1
   ATOM 3064 CA B THR A 96 ? -5.19070 20.16084 27.29061 0.302 5.30853 C ? A ? 97 CA 1
   ATOM 3065 C B THR A 96 ? -3.72820 19.85187 26.98064 0.302 5.51532 C ? A ? 97 C 1
   ATOM 3066 O B THR A 96 ? -2.84398 20.01898 27.82459 0.302 5.23500 O ? A ? 97 O 1
   ATOM 3067 CB B THR A 96 ? -5.51073 21.64988 27.08349 0.302 6.42755 C ? A ? 97 CB 1
   ATOM 3068 OG1 B THR A 96 ? -6.79016 21.96300 27.66486 0.302 5.50896 O ? A ? 97 OG1 1
   ATOM 3069 CG2 B THR A 96 ? -5.57784 22.03416 25.57440 0.302 5.71667 C ? A ? 97 CG2 1
   ATOM 3070 H B THR A 96 ? -5.63714 20.41997 29.18788 0.302 6.18456 H ? A ? 97 H 1
   ATOM 3071 HA B THR A 96 ? -5.75456 19.67519 26.66844 0.302 6.37024 H ? A ? 97 HA 1
   ATOM 3072 HB B THR A 96 ? -4.80142 22.16126 27.50332 0.302 7.71306 H ? A ? 97 HB 1
   ATOM 3073 HG1 B THR A 96 ? -7.39300 21.51159 27.29281 0.302 6.61075 H ? A ? 97 HG1 1
   ATOM 3074 HG21 B THR A 96 ? -5.79668 22.97452 25.48093 0.302 6.86000 H ? A ? 97 HG21 1
   ATOM 3075 HG22 B THR A 96 ? -4.72134 21.86669 25.15100 0.302 6.86000 H ? A ? 97 HG22 1
   ATOM 3076 HG23 B THR A 96 ? -6.25833 21.50667 25.12767 0.302 6.86000 H ? A ? 97 HG23 1
   ATOM 3077 N A LEU A 97 ? -3.54070 19.27273 25.77360 0.698 4.84199 N ? A ? 98 N 1
   ATOM 3078 CA A LEU A 97 ? -2.17077 19.01268 25.37535 0.698 5.14069 C ? A ? 98 CA 1
   ATOM 3079 C A LEU A 97 ? -1.81032 19.88627 24.19177 0.698 4.61561 C ? A ? 98 C 1
   ATOM 3080 O A LEU A 97 ? -2.65756 20.25540 23.38409 0.698 5.69521 O ? A ? 98 O 1
   ATOM 3081 CB A LEU A 97 ? -1.96911 17.54114 25.01228 0.698 4.90514 C ? A ? 98 CB 1
   ATOM 3082 CG A LEU A 97 ? -2.41525 16.54392 26.06536 0.698 5.81134 C ? A ? 98 CG 1
   ATOM 3083 CD1 A LEU A 97 ? -2.09787 15.11295 25.62000 0.698 6.46684 C ? A ? 98 CD1 1
   ATOM 3084 CD2 A LEU A 97 ? -1.81049 16.82158 27.40789 0.698 7.20241 C ? A ? 98 CD2 1
   ATOM 3085 H A LEU A 97 ? -4.13622 18.95605 25.24005 0.698 5.81039 H ? A ? 98 H 1
   ATOM 3086 HA A LEU A 97 ? -1.57278 19.22323 26.10950 0.698 6.16883 H ? A ? 98 HA 1
   ATOM 3087 HB2 A LEU A 97 ? -2.47303 17.35468 24.20469 0.698 5.88617 H ? A ? 98 HB2 1
   ATOM 3088 HB3 A LEU A 97 ? -1.02351 17.39289 24.85495 0.698 5.88617 H ? A ? 98 HB3 1
   ATOM 3089 HG A LEU A 97 ? -3.37574 16.63376 26.16676 0.698 6.97360 H ? A ? 98 HG 1
   ATOM 3090 HD11 A LEU A 97 ? -2.37623 14.49669 26.31544 0.698 7.76021 H ? A ? 98 HD11 1
   ATOM 3091 HD12 A LEU A 97 ? -2.57830 14.92390 24.79881 0.698 7.76021 H ? A ? 98 HD12 1
   ATOM 3092 HD13 A LEU A 97 ? -1.14281 15.03328 25.47031 0.698 7.76021 H ? A ? 98 HD13 1
   ATOM 3093 HD21 A LEU A 97 ? -2.01035 16.08235 28.00327 0.698 8.64290 H ? A ? 98 HD21 1
   ATOM 3094 HD22 A LEU A 97 ? -0.85022 16.91580 27.30830 0.698 8.64290 H ? A ? 98 HD22 1
   ATOM 3095 HD23 A LEU A 97 ? -2.18852 17.64216 27.76093 0.698 8.64290 H ? A ? 98 HD23 1
   ATOM 3096 N B LEU A 97 ? -3.48810 19.31296 25.78548 0.302 4.74506 N ? A ? 98 N 1
   ATOM 3097 CA B LEU A 97 ? -2.15561 18.94459 25.33947 0.302 5.16585 C ? A ? 98 CA 1
   ATOM 3098 C B LEU A 97 ? -1.81218 19.77092 24.11365 0.302 4.82630 C ? A ? 98 C 1
   ATOM 3099 O B LEU A 97 ? -2.63882 19.92071 23.21026 0.302 4.53649 O ? A ? 98 O 1
   ATOM 3100 CB B LEU A 97 ? -2.07755 17.46584 24.93979 0.302 4.85873 C ? A ? 98 CB 1
   ATOM 3101 CG B LEU A 97 ? -2.50135 16.44426 25.98295 0.302 5.63263 C ? A ? 98 CG 1
   ATOM 3102 CD1 B LEU A 97 ? -2.16273 15.04229 25.51299 0.302 6.37527 C ? A ? 98 CD1 1
   ATOM 3103 CD2 B LEU A 97 ? -1.85992 16.73642 27.31334 0.302 6.82503 C ? A ? 98 CD2 1
   ATOM 3104 H B LEU A 97 ? -4.10042 19.14900 25.20429 0.302 5.69408 H ? A ? 98 H 1
   ATOM 3105 HA B LEU A 97 ? -1.52364 19.11116 26.05624 0.302 6.19902 H ? A ? 98 HA 1
   ATOM 3106 HB2 B LEU A 97 ? -2.64958 17.33507 24.16741 0.302 5.83047 H ? A ? 98 HB2 1
   ATOM 3107 HB3 B LEU A 97 ? -1.15671 17.26777 24.70800 0.302 5.83047 H ? A ? 98 HB3 1
   ATOM 3108 HG B LEU A 97 ? -3.46204 16.49729 26.10606 0.302 6.75916 H ? A ? 98 HG 1
   ATOM 3109 HD11 B LEU A 97 ? -2.43857 14.40649 26.19164 0.302 7.65032 H ? A ? 98 HD11 1
   ATOM 3110 HD12 B LEU A 97 ? -2.63285 14.86520 24.68322 0.302 7.65032 H ? A ? 98 HD12 1
   ATOM 3111 HD13 B LEU A 97 ? -1.20529 14.97958 25.37060 0.302 7.65032 H ? A ? 98 HD13 1
   ATOM 3112 HD21 B LEU A 97 ? -2.05646 16.00974 27.92507 0.302 8.19004 H ? A ? 98 HD21 1
   ATOM 3113 HD22 B LEU A 97 ? -0.90093 16.81557 27.19098 0.302 8.19004 H ? A ? 98 HD22 1
   ATOM 3114 HD23 B LEU A 97 ? -2.21873 17.56779 27.66115 0.302 8.19004 H ? A ? 98 HD23 1
   ATOM 3115 N A VAL A 98 ? -0.52474 20.16961 24.08492 0.698 4.81826 N ? A ? 99 N 1
   ATOM 3116 CA A VAL A 98 ? -0.00012 20.91204 22.95110 0.698 4.98283 C ? A ? 99 CA 1
   ATOM 3117 C A VAL A 98 ? 1.13163 20.09323 22.36469 0.698 4.84847 C ? A ? 99 C 1
   ATOM 3118 O A VAL A 98 ? 2.09969 19.80827 23.06857 0.698 6.21368 O ? A ? 99 O 1
   ATOM 3119 CB A VAL A 98 ? 0.50532 22.30659 23.34189 0.698 6.81395 C ? A ? 99 CB 1
   ATOM 3120 CG1 A VAL A 98 ? 1.16919 22.97396 22.12398 0.698 9.07791 C ? A ? 99 CG1 1
   ATOM 3121 CG2 A VAL A 98 ? -0.63428 23.15645 23.90741 0.698 8.09032 C ? A ? 99 CG2 1
   ATOM 3122 H A VAL A 98 ? 0.07036 19.94056 24.66198 0.698 5.78192 H ? A ? 99 H 1
   ATOM 3123 HA A VAL A 98 ? -0.69915 21.02031 22.28737 0.698 5.97940 H ? A ? 99 HA 1
   ATOM 3124 HB A VAL A 98 ? 1.17197 22.23045 24.04237 0.698 8.17674 H ? A ? 99 HB 1
   ATOM 3125 HG11 A VAL A 98 ? 1.28282 23.92008 22.30523 0.698 10.89349 H ? A ? 99 HG11 1
   ATOM 3126 HG12 A VAL A 98 ? 2.03302 22.56072 21.96927 0.698 10.89349 H ? A ? 99 HG12 1
   ATOM 3127 HG13 A VAL A 98 ? 0.60033 22.85184 21.34785 0.698 10.89349 H ? A ? 99 HG13 1
   ATOM 3128 HG21 A VAL A 98 ? -0.28659 24.02826 24.15228 0.698 9.70839 H ? A ? 99 HG21 1
   ATOM 3129 HG22 A VAL A 98 ? -1.32225 23.25294 23.23044 0.698 9.70839 H ? A ? 99 HG22 1
   ATOM 3130 HG23 A VAL A 98 ? -0.99969 22.71442 24.68971 0.698 9.70839 H ? A ? 99 HG23 1
   ATOM 3131 N B VAL A 98 ? -0.58133 20.27879 24.08735 0.302 4.92629 N ? A ? 99 N 1
   ATOM 3132 CA B VAL A 98 ? -0.00936 20.92804 22.91423 0.302 5.17666 C ? A ? 99 CA 1
   ATOM 3133 C B VAL A 98 ? 1.08804 20.02119 22.36244 0.302 4.89177 C ? A ? 99 C 1
   ATOM 3134 O B VAL A 98 ? 1.96608 19.56719 23.10006 0.302 4.80155 O ? A ? 99 O 1
   ATOM 3135 CB B VAL A 98 ? 0.53336 22.33523 23.22443 0.302 6.72304 C ? A ? 99 CB 1
   ATOM 3136 CG1 B VAL A 98 ? 1.10637 22.97201 21.95906 0.302 8.34830 C ? A ? 99 CG1 1
   ATOM 3137 CG2 B VAL A 98 ? -0.56726 23.23092 23.80122 0.302 7.97927 C ? A ? 99 CG2 1
   ATOM 3138 H B VAL A 98 ? -0.04417 20.25738 24.75862 0.302 5.91155 H ? A ? 99 H 1
   ATOM 3139 HA B VAL A 98 ? -0.70106 21.02751 22.24150 0.302 6.21199 H ? A ? 99 HA 1
   ATOM 3140 HB B VAL A 98 ? 1.23867 22.25309 23.88526 0.302 8.06765 H ? A ? 99 HB 1
   ATOM 3141 HG11 B VAL A 98 ? 1.30041 23.90587 22.13553 0.302 10.01796 H ? A ? 99 HG11 1
   ATOM 3142 HG12 B VAL A 98 ? 1.92038 22.50601 21.71181 0.302 10.01796 H ? A ? 99 HG12 1
   ATOM 3143 HG13 B VAL A 98 ? 0.45358 22.89894 21.24532 0.302 10.01796 H ? A ? 99 HG13 1
   ATOM 3144 HG21 B VAL A 98 ? -0.20646 24.11909 23.94913 0.302 9.57513 H ? A ? 99 HG21 1
   ATOM 3145 HG22 B VAL A 98 ? -1.30276 23.27353 23.17025 0.302 9.57513 H ? A ? 99 HG22 1
   ATOM 3146 HG23 B VAL A 98 ? -0.87330 22.85413 24.64102 0.302 9.57513 H ? A ? 99 HG23 1
   ATOM 3147 N . PHE A 99 ? 1.01409 19.74764 21.08079 1.000 4.98017 N ? A ? 100 N 1
   ATOM 3148 CA . PHE A 99 ? 2.08729 19.03708 20.39886 1.000 4.71568 C ? A ? 100 CA 1
   ATOM 3149 C . PHE A 99 ? 2.63841 19.88122 19.27812 1.000 5.09767 C ? A ? 100 C 1
   ATOM 3150 O . PHE A 99 ? 1.87728 20.35836 18.43203 1.000 6.32722 O ? A ? 100 O 1
   ATOM 3151 CB . PHE A 99 ? 1.63289 17.71250 19.78466 1.000 5.14822 C ? A ? 100 CB 1
   ATOM 3152 CG . PHE A 99 ? 1.31455 16.65683 20.81107 1.000 4.99361 C ? A ? 100 CG 1
   ATOM 3153 CD1 . PHE A 99 ? 0.08912 16.57384 21.42361 1.000 5.24366 C ? A ? 100 CD1 1
   ATOM 3154 CD2 . PHE A 99 ? 2.26663 15.69197 21.13497 1.000 5.45404 C ? A ? 100 CD2 1
   ATOM 3155 CE1 . PHE A 99 ? -0.20848 15.56407 22.32361 1.000 6.80263 C ? A ? 100 CE1 1
   ATOM 3156 CE2 . PHE A 99 ? 1.97133 14.68389 22.04214 1.000 6.45401 C ? A ? 100 CE2 1
   ATOM 3157 CZ . PHE A 99 ? 0.73516 14.64009 22.62335 1.000 6.61071 C ? A ? 100 CZ 1
   ATOM 3158 HA . PHE A 99 ? 2.77149 18.86515 21.06461 1.000 5.65882 H ? A ? 100 HA 1
   ATOM 3159 HB2 . PHE A 99 ? 0.83223 17.86863 19.25981 1.000 6.17786 H ? A ? 100 HB2 1
   ATOM 3160 HB3 . PHE A 99 ? 2.34093 17.37129 19.21620 1.000 6.17786 H ? A ? 100 HB3 1
   ATOM 3161 HD1 . PHE A 99 ? -0.55842 17.21244 21.22922 1.000 6.29239 H ? A ? 100 HD1 1
   ATOM 3162 HD2 . PHE A 99 ? 3.10777 15.72389 20.73953 1.000 6.54485 H ? A ? 100 HD2 1
   ATOM 3163 HE1 . PHE A 99 ? -1.04924 15.52091 22.71878 1.000 8.16315 H ? A ? 100 HE1 1
   ATOM 3164 HE2 . PHE A 99 ? 2.61062 14.04227 22.25316 1.000 7.74482 H ? A ? 100 HE2 1
   ATOM 3165 HZ . PHE A 99 ? 0.53918 13.96609 23.23344 1.000 7.93286 H ? A ? 100 HZ 1
   ATOM 3166 H A PHE A 99 ? 0.32642 19.91442 20.59201 0.698 5.97621 H ? A ? 100 H 1
   ATOM 3167 H B PHE A 99 ? 0.35154 19.96157 20.57594 0.302 5.97621 H ? A ? 100 H 1
   ATOM 3168 N A ASP A 100 ? 3.96401 20.02257 19.25506 0.431 4.53091 N ? A ? 101 N 1
   ATOM 3169 CA A ASP A 100 ? 4.69402 20.68720 18.17089 0.431 4.91619 C ? A ? 101 CA 1
   ATOM 3170 C A ASP A 100 ? 5.12049 19.55737 17.23361 0.431 4.69836 C ? A ? 101 C 1
   ATOM 3171 O A ASP A 100 ? 6.02455 18.78373 17.56149 0.431 5.39404 O ? A ? 101 O 1
   ATOM 3172 CB A ASP A 100 ? 5.88858 21.41375 18.79363 0.431 6.17263 C ? A ? 101 CB 1
   ATOM 3173 CG A ASP A 100 ? 6.82686 22.02913 17.77765 0.431 6.77981 C ? A ? 101 CG 1
   ATOM 3174 OD1 A ASP A 100 ? 6.56889 21.94173 16.56062 0.431 7.17228 O ? A ? 101 OD1 1
   ATOM 3175 OD2 A ASP A 100 ? 7.82389 22.65692 18.22170 0.431 6.52932 O ? A ? 101 OD2 1
   ATOM 3176 H A ASP A 100 ? 4.48212 19.73226 19.87705 0.431 5.43709 H ? A ? 101 H 1
   ATOM 3177 HA A ASP A 100 ? 4.16209 21.32874 17.67453 0.431 5.89943 H ? A ? 101 HA 1
   ATOM 3178 HB2 A ASP A 100 ? 5.55831 22.12765 19.36123 0.431 7.40715 H ? A ? 101 HB2 1
   ATOM 3179 HB3 A ASP A 100 ? 6.39903 20.77969 19.32118 0.431 7.40715 H ? A ? 101 HB3 1
   ATOM 3180 N B ASP A 100 ? 3.95214 20.09230 19.29694 0.569 4.74468 N ? A ? 101 N 1
   ATOM 3181 CA B ASP A 100 ? 4.67234 20.66755 18.16175 0.569 4.94540 C ? A ? 101 CA 1
   ATOM 3182 C B ASP A 100 ? 5.03864 19.48287 17.27099 0.569 4.99284 C ? A ? 101 C 1
   ATOM 3183 O B ASP A 100 ? 5.78025 18.58910 17.69257 0.569 5.57775 O ? A ? 101 O 1
   ATOM 3184 CB B ASP A 100 ? 5.89536 21.39335 18.72625 0.569 6.14258 C ? A ? 101 CB 1
   ATOM 3185 CG B ASP A 100 ? 6.76055 22.04170 17.68942 0.569 6.72685 C ? A ? 101 CG 1
   ATOM 3186 OD1 B ASP A 100 ? 6.85660 21.53449 16.53761 0.569 6.39687 O ? A ? 101 OD1 1
   ATOM 3187 OD2 B ASP A 100 ? 7.38691 23.06744 18.08634 0.569 9.94209 O ? A ? 101 OD2 1
   ATOM 3188 H B ASP A 100 ? 4.45807 19.90754 19.96738 0.569 5.69362 H ? A ? 101 H 1
   ATOM 3189 HA B ASP A 100 ? 4.15632 21.29783 17.63509 0.569 5.93448 H ? A ? 101 HA 1
   ATOM 3190 HB2 B ASP A 100 ? 5.59178 22.08817 19.33120 0.569 7.37110 H ? A ? 101 HB2 1
   ATOM 3191 HB3 B ASP A 100 ? 6.44272 20.75192 19.20568 0.569 7.37110 H ? A ? 101 HB3 1
   ATOM 3192 N . VAL A 101 ? 4.40576 19.42921 16.06271 1.000 4.59642 N ? A ? 102 N 1
   ATOM 3193 CA . VAL A 101 ? 4.52954 18.27911 15.19865 1.000 4.80636 C ? A ? 102 CA 1
   ATOM 3194 C . VAL A 101 ? 5.09000 18.74137 13.86180 1.000 4.62131 C ? A ? 102 C 1
   ATOM 3195 O . VAL A 101 ? 4.59849 19.72098 13.28644 1.000 5.49821 O ? A ? 102 O 1
   ATOM 3196 CB . VAL A 101 ? 3.15799 17.60194 14.95220 1.000 5.63824 C ? A ? 102 CB 1
   ATOM 3197 CG1 . VAL A 101 ? 3.28817 16.42036 13.98015 1.000 7.43475 C ? A ? 102 CG1 1
   ATOM 3198 CG2 . VAL A 101 ? 2.52628 17.18021 16.25694 1.000 6.57992 C ? A ? 102 CG2 1
   ATOM 3199 HA . VAL A 101 ? 5.13982 17.64757 15.61050 1.000 5.76763 H ? A ? 102 HA 1
   ATOM 3200 HB . VAL A 101 ? 2.56594 18.24827 14.53670 1.000 6.76589 H ? A ? 102 HB 1
   ATOM 3201 HG11 . VAL A 101 ? 2.45632 15.92147 13.97630 1.000 8.92170 H ? A ? 102 HG11 1
   ATOM 3202 HG12 . VAL A 101 ? 3.47332 16.76163 13.09124 1.000 8.92170 H ? A ? 102 HG12 1
   ATOM 3203 HG13 . VAL A 101 ? 4.01520 15.84899 14.27317 1.000 8.92170 H ? A ? 102 HG13 1
   ATOM 3204 HG21 . VAL A 101 ? 1.67608 16.75139 16.07210 1.000 7.89590 H ? A ? 102 HG21 1
   ATOM 3205 HG22 . VAL A 101 ? 3.11884 16.55900 16.70845 1.000 7.89590 H ? A ? 102 HG22 1
   ATOM 3206 HG23 . VAL A 101 ? 2.38751 17.96561 16.80902 1.000 7.89590 H ? A ? 102 HG23 1
   ATOM 3207 H A VAL A 101 ? 3.84812 20.01762 15.77563 0.431 5.51571 H ? A ? 102 H 1
   ATOM 3208 H B VAL A 101 ? 3.90859 20.05655 15.74828 0.569 5.51571 H ? A ? 102 H 1
   ATOM 3209 N A GLU A 102 ? 6.09329 18.01925 13.36279 0.463 4.54127 N ? A ? 103 N 1
   ATOM 3210 CA A GLU A 102 ? 6.55442 18.13142 11.98577 0.463 6.20096 C ? A ? 103 CA 1
   ATOM 3211 C A GLU A 102 ? 6.12400 16.88521 11.22332 0.463 5.65346 C ? A ? 103 C 1
   ATOM 3212 O A GLU A 102 ? 6.43438 15.75404 11.62842 0.463 5.08960 O ? A ? 103 O 1
   ATOM 3213 CB A GLU A 102 ? 8.07555 18.32613 11.87726 0.463 7.40423 C ? A ? 103 CB 1
   ATOM 3214 CG A GLU A 102 ? 8.57553 19.61901 12.55629 0.463 10.94997 C ? A ? 103 CG 1
   ATOM 3215 CD A GLU A 102 ? 10.09229 19.76415 12.60380 0.463 16.37409 C ? A ? 103 CD 1
   ATOM 3216 OE1 A GLU A 102 ? 10.73325 19.79997 11.53570 0.463 20.82846 O ? A ? 103 OE1 1
   ATOM 3217 OE2 A GLU A 102 ? 10.66045 19.83289 13.71509 0.463 19.56013 O ? A ? 103 OE2 1
   ATOM 3218 H A GLU A 102 ? 6.53434 17.43986 13.82037 0.463 5.44952 H ? A ? 103 H 1
   ATOM 3219 HA A GLU A 102 ? 6.13694 18.91244 11.59002 0.463 7.44115 H ? A ? 103 HA 1
   ATOM 3220 HB2 A GLU A 102 ? 8.51889 17.57545 12.30251 0.463 8.88508 H ? A ? 103 HB2 1
   ATOM 3221 HB3 A GLU A 102 ? 8.32020 18.36812 10.93956 0.463 8.88508 H ? A ? 103 HB3 1
   ATOM 3222 HG2 A GLU A 102 ? 8.22429 20.38019 12.06830 0.463 13.13997 H ? A ? 103 HG2 1
   ATOM 3223 HG3 A GLU A 102 ? 8.25186 19.63304 13.47059 0.463 13.13997 H ? A ? 103 HG3 1
   ATOM 3224 N B GLU A 102 ? 6.04357 18.00158 13.33529 0.537 4.57114 N ? A ? 103 N 1
   ATOM 3225 CA B GLU A 102 ? 6.55563 18.20532 11.99321 0.537 6.14487 C ? A ? 103 CA 1
   ATOM 3226 C B GLU A 102 ? 6.23579 16.95182 11.19727 0.537 5.87465 C ? A ? 103 C 1
   ATOM 3227 O B GLU A 102 ? 6.71495 15.87281 11.56812 0.537 5.31532 O ? A ? 103 O 1
   ATOM 3228 CB B GLU A 102 ? 8.07423 18.42565 12.04285 0.537 8.58428 C ? A ? 103 CB 1
   ATOM 3229 CG B GLU A 102 ? 8.63462 18.73172 10.73503 0.537 12.92452 C ? A ? 103 CG 1
   ATOM 3230 CD B GLU A 102 ? 9.97896 19.36834 10.74071 0.537 18.43435 C ? A ? 103 CD 1
   ATOM 3231 OE1 B GLU A 102 ? 10.79471 19.05239 11.57189 0.537 20.11185 O ? A ? 103 OE1 1
   ATOM 3232 OE2 B GLU A 102 ? 10.24980 20.20600 9.88383 0.537 22.01859 O ? A ? 103 OE2 1
   ATOM 3233 H B GLU A 102 ? 6.42488 17.35139 13.74934 0.537 5.48537 H ? A ? 103 H 1
   ATOM 3234 HA B GLU A 102 ? 6.13821 18.97248 11.57117 0.537 7.37385 H ? A ? 103 HA 1
   ATOM 3235 HB2 B GLU A 102 ? 8.26730 19.16907 12.63526 0.537 10.30114 H ? A ? 103 HB2 1
   ATOM 3236 HB3 B GLU A 102 ? 8.50075 17.61926 12.37258 0.537 10.30114 H ? A ? 103 HB3 1
   ATOM 3237 HG2 B GLU A 102 ? 8.71110 17.90392 10.23524 0.537 15.50942 H ? A ? 103 HG2 1
   ATOM 3238 HG3 B GLU A 102 ? 8.03108 19.33954 10.27983 0.537 15.50942 H ? A ? 103 HG3 1
   ATOM 3239 N . LEU A 103 ? 5.42320 17.08058 10.12250 1.000 5.64870 N ? A ? 104 N 1
   ATOM 3240 CA . LEU A 103 ? 5.05749 15.95661 9.24447 1.000 5.69518 C ? A ? 104 CA 1
   ATOM 3241 C . LEU A 103 ? 6.18327 15.80042 8.22257 1.000 5.51250 C ? A ? 104 C 1
   ATOM 3242 O . LEU A 103 ? 6.31043 16.59527 7.30393 1.000 6.95742 O ? A ? 104 O 1
   ATOM 3243 CB . LEU A 103 ? 3.71484 16.19188 8.57982 1.000 5.98040 C ? A ? 104 CB 1
   ATOM 3244 CG . LEU A 103 ? 3.24092 15.07710 7.65802 1.000 6.16940 C ? A ? 104 CG 1
   ATOM 3245 CD1 . LEU A 103 ? 3.17154 13.71148 8.33345 1.000 7.74800 C ? A ? 104 CD1 1
   ATOM 3246 CD2 . LEU A 103 ? 1.88139 15.43665 7.04192 1.000 7.74171 C ? A ? 104 CD2 1
   ATOM 3247 HA . LEU A 103 ? 4.98361 15.14095 9.76421 1.000 6.83422 H ? A ? 104 HA 1
   ATOM 3248 HB2 . LEU A 103 ? 3.04550 16.29894 9.27366 1.000 7.17648 H ? A ? 104 HB2 1
   ATOM 3249 HB3 . LEU A 103 ? 3.77485 17.00152 8.04899 1.000 7.17648 H ? A ? 104 HB3 1
   ATOM 3250 HG . LEU A 103 ? 3.90410 14.99257 6.95521 1.000 7.40328 H ? A ? 104 HG 1
   ATOM 3251 HD11 . LEU A 103 ? 2.77886 13.07382 7.71693 1.000 9.29760 H ? A ? 104 HD11 1
   ATOM 3252 HD12 . LEU A 103 ? 4.06899 13.43124 8.57211 1.000 9.29760 H ? A ? 104 HD12 1
   ATOM 3253 HD13 . LEU A 103 ? 2.62368 13.78104 9.13089 1.000 9.29760 H ? A ? 104 HD13 1
   ATOM 3254 HD21 . LEU A 103 ? 1.65839 14.77992 6.36377 1.000 9.29005 H ? A ? 104 HD21 1
   ATOM 3255 HD22 . LEU A 103 ? 1.20765 15.43340 7.73975 1.000 9.29005 H ? A ? 104 HD22 1
   ATOM 3256 HD23 . LEU A 103 ? 1.93919 16.31850 6.64204 1.000 9.29005 H ? A ? 104 HD23 1
   ATOM 3257 H A LEU A 103 ? 5.14328 17.84796 9.85349 0.463 6.77845 H ? A ? 104 H 1
   ATOM 3258 H B LEU A 103 ? 5.06751 17.82567 9.88182 0.537 6.77845 H ? A ? 104 H 1
   ATOM 3259 N . LEU A 104 ? 7.02866 14.80902 8.43806 1.000 5.78356 N ? A ? 105 N 1
   ATOM 3260 CA . LEU A 104 ? 8.23981 14.66228 7.66467 1.000 7.18804 C ? A ? 105 CA 1
   ATOM 3261 C . LEU A 104 ? 7.99583 14.00309 6.31341 1.000 7.50012 C ? A ? 105 C 1
   ATOM 3262 O . LEU A 104 ? 8.55772 14.43082 5.29127 1.000 8.62269 O ? A ? 105 O 1
   ATOM 3263 CB . LEU A 104 ? 9.24273 13.80200 8.43514 1.000 7.83801 C ? A ? 105 CB 1
   ATOM 3264 CG . LEU A 104 ? 9.63918 14.32627 9.81087 1.000 8.18129 C ? A ? 105 CG 1
   ATOM 3265 CD1 . LEU A 104 ? 10.39538 13.27383 10.61430 1.000 10.06431 C ? A ? 105 CD1 1
   ATOM 3266 CD2 . LEU A 104 ? 10.45703 15.57126 9.65365 1.000 13.81200 C ? A ? 105 CD2 1
   ATOM 3267 H . LEU A 104 ? 6.92116 14.19976 9.03543 1.000 6.94027 H ? A ? 105 H 1
   ATOM 3268 HA . LEU A 104 ? 8.60057 15.55075 7.51845 1.000 8.62565 H ? A ? 105 HA 1
   ATOM 3269 HB2 . LEU A 104 ? 8.85439 12.92223 8.56197 1.000 9.40561 H ? A ? 105 HB2 1
   ATOM 3270 HB3 . LEU A 104 ? 10.05357 13.73376 7.90714 1.000 9.40561 H ? A ? 105 HB3 1
   ATOM 3271 HG . LEU A 104 ? 8.83771 14.53855 10.31435 1.000 9.81755 H ? A ? 105 HG 1
   ATOM 3272 HD11 . LEU A 104 ? 10.59748 13.63211 11.49276 1.000 12.07717 H ? A ? 105 HD11 1
   ATOM 3273 HD12 . LEU A 104 ? 9.84068 12.48265 10.69935 1.000 12.07717 H ? A ? 105 HD12 1
   ATOM 3274 HD13 . LEU A 104 ? 11.21786 13.05280 10.14998 1.000 12.07717 H ? A ? 105 HD13 1
   ATOM 3275 HD21 . LEU A 104 ? 10.68925 15.90965 10.53256 1.000 16.57440 H ? A ? 105 HD21 1
   ATOM 3276 HD22 . LEU A 104 ? 11.26298 15.35909 9.15734 1.000 16.57440 H ? A ? 105 HD22 1
   ATOM 3277 HD23 . LEU A 104 ? 9.93616 16.23250 9.17162 1.000 16.57440 H ? A ? 105 HD23 1
   ATOM 3278 N . LYS A 105 ? 7.18579 12.95619 6.27802 1.000 7.72421 N ? A ? 106 N 1
   ATOM 3279 CA . LYS A 105 ? 6.95355 12.23198 5.04254 1.000 8.77200 C ? A ? 106 CA 1
   ATOM 3280 C . LYS A 105 ? 5.76592 11.31264 5.25176 1.000 8.51793 C ? A ? 106 C 1
   ATOM 3281 O . LYS A 105 ? 5.36975 11.01779 6.39888 1.000 9.20668 O ? A ? 106 O 1
   ATOM 3282 CB . LYS A 105 ? 8.19704 11.48344 4.53239 1.000 12.68019 C ? A ? 106 CB 1
   ATOM 3283 CG . LYS A 105 ? 8.79561 10.48569 5.48571 1.000 12.98505 C ? A ? 106 CG 1
   ATOM 3284 CD . LYS A 105 ? 10.08785 9.88251 4.95817 1.000 12.27954 C ? A ? 106 CD 1
   ATOM 3285 CE . LYS A 105 ? 10.66050 8.91792 5.96699 1.000 19.45824 C ? A ? 106 CE 1
   ATOM 3286 NZ . LYS A 105 ? 11.93693 8.35732 5.46156 1.000 23.26040 N ? A ? 106 NZ 1
   ATOM 3287 H . LYS A 105 ? 6.75918 12.64646 6.95748 1.000 9.26906 H ? A ? 106 H 1
   ATOM 3288 HA . LYS A 105 ? 6.72149 12.86125 4.34178 1.000 10.52640 H ? A ? 106 HA 1
   ATOM 3289 HB2 . LYS A 105 ? 7.95251 11.00104 3.72716 1.000 15.21622 H ? A ? 106 HB2 1
   ATOM 3290 HB3 . LYS A 105 ? 8.88455 12.13753 4.33141 1.000 15.21622 H ? A ? 106 HB3 1
   ATOM 3291 HG2 . LYS A 105 ? 8.99111 10.92754 6.32681 1.000 15.58206 H ? A ? 106 HG2 1
   ATOM 3292 HG3 . LYS A 105 ? 8.16327 9.76424 5.62908 1.000 15.58206 H ? A ? 106 HG3 1
   ATOM 3293 HD2 . LYS A 105 ? 9.91134 9.40186 4.13432 1.000 14.73544 H ? A ? 106 HD2 1
   ATOM 3294 HD3 . LYS A 105 ? 10.73578 10.58664 4.79917 1.000 14.73544 H ? A ? 106 HD3 1
   ATOM 3295 HE2 . LYS A 105 ? 10.83236 9.38121 6.80169 1.000 23.34988 H ? A ? 106 HE2 1
   ATOM 3296 HE3 . LYS A 105 ? 10.03679 8.18972 6.11405 1.000 23.34988 H ? A ? 106 HE3 1
   ATOM 3297 HZ1 . LYS A 105 ? 12.34271 7.89568 6.10524 1.000 27.91248 H ? A ? 106 HZ1 1
   ATOM 3298 HZ2 . LYS A 105 ? 11.78006 7.81593 4.77280 1.000 27.91248 H ? A ? 106 HZ2 1
   ATOM 3299 HZ3 . LYS A 105 ? 12.47407 9.01514 5.19537 1.000 27.91248 H ? A ? 106 HZ3 1
   ATOM 3300 N . LEU A 106 ? 5.21324 10.87460 4.11046 1.000 10.32788 N ? A ? 107 N 1
   ATOM 3301 CA . LEU A 106 ? 4.24206 9.78190 4.08884 1.000 12.04184 C ? A ? 107 CA 1
   ATOM 3302 C . LEU A 106 ? 4.90037 8.60798 3.37262 1.000 14.62169 C ? A ? 107 C 1
   ATOM 3303 O . LEU A 106 ? 5.53482 8.79486 2.31943 1.000 20.23069 O ? A ? 107 O 1
   ATOM 3304 CB . LEU A 106 ? 2.97571 10.19508 3.36336 1.000 13.97476 C ? A ? 107 CB 1
   ATOM 3305 CG . LEU A 106 ? 2.27990 11.39822 3.98473 1.000 13.14838 C ? A ? 107 CG 1
   ATOM 3306 CD1 . LEU A 106 ? 1.14063 11.86358 3.11206 1.000 16.24812 C ? A ? 107 CD1 1
   ATOM 3307 CD2 . LEU A 106 ? 1.75680 11.08176 5.36915 1.000 15.59119 C ? A ? 107 CD2 1
   ATOM 3308 H . LEU A 106 ? 5.38968 11.20011 3.33425 1.000 12.39346 H ? A ? 107 H 1
   ATOM 3309 HA . LEU A 106 ? 3.99283 9.52177 4.98946 1.000 14.45020 H ? A ? 107 HA 1
   ATOM 3310 HB2 . LEU A 106 ? 3.20137 10.42248 2.44779 1.000 16.76971 H ? A ? 107 HB2 1
   ATOM 3311 HB3 . LEU A 106 ? 2.35254 9.45186 3.37666 1.000 16.76971 H ? A ? 107 HB3 1
   ATOM 3312 HG . LEU A 106 ? 2.93235 12.11180 4.06228 1.000 15.77806 H ? A ? 107 HG 1
   ATOM 3313 HD11 . LEU A 106 ? 0.78917 12.69462 3.46808 1.000 19.49775 H ? A ? 107 HD11 1
   ATOM 3314 HD12 . LEU A 106 ? 1.47005 12.00307 2.21043 1.000 19.49775 H ? A ? 107 HD12 1
   ATOM 3315 HD13 . LEU A 106 ? 0.44723 11.18528 3.10964 1.000 19.49775 H ? A ? 107 HD13 1
   ATOM 3316 HD21 . LEU A 106 ? 1.31389 11.86724 5.72658 1.000 18.70943 H ? A ? 107 HD21 1
   ATOM 3317 HD22 . LEU A 106 ? 1.12753 10.34608 5.30844 1.000 18.70943 H ? A ? 107 HD22 1
   ATOM 3318 HD23 . LEU A 106 ? 2.50152 10.83385 5.93909 1.000 18.70943 H ? A ? 107 HD23 1
   ATOM 3319 N . GLU A 107 ? 4.76944 7.42543 3.94414 1.000 13.93891 N ? A ? 108 N 1
   ATOM 3320 CA . GLU A 107 ? 5.33761 6.21468 3.35989 1.000 16.11654 C ? A ? 108 CA 1
   ATOM 3321 C . GLU A 107 ? 4.20949 5.27732 2.95504 1.000 23.50908 C ? A ? 108 C 1
   ATOM 3322 O . GLU A 107 ? 3.11524 5.32464 3.51883 1.000 17.38842 O ? A ? 108 O 1
   ATOM 3323 CB . GLU A 107 ? 6.25061 5.49894 4.35215 1.000 22.82884 C ? A ? 108 CB 1
   ATOM 3324 CG . GLU A 107 ? 7.51995 6.23576 4.71999 1.000 26.41972 C ? A ? 108 CG 1
   ATOM 3325 CD . GLU A 107 ? 8.33993 5.51644 5.78908 1.000 27.73519 C ? A ? 108 CD 1
   ATOM 3326 OE1 . GLU A 107 ? 7.79379 4.70632 6.56928 1.000 27.61948 O ? A ? 108 OE1 1
   ATOM 3327 OE2 . GLU A 107 ? 9.55526 5.76576 5.84957 1.000 32.37074 O ? A ? 108 OE2 1
   ATOM 3328 H . GLU A 107 ? 4.35023 7.29002 4.68274 1.000 16.72670 H ? A ? 108 H 1
   ATOM 3329 HA . GLU A 107 ? 5.87182 6.45041 2.58532 1.000 19.33985 H ? A ? 108 HA 1
   ATOM 3330 HB2 . GLU A 107 ? 5.75402 5.35263 5.17245 1.000 27.39461 H ? A ? 108 HB2 1
   ATOM 3331 HB3 . GLU A 107 ? 6.51236 4.64822 3.96658 1.000 27.39461 H ? A ? 108 HB3 1
   ATOM 3332 HG2 . GLU A 107 ? 8.07341 6.32448 3.92834 1.000 31.70367 H ? A ? 108 HG2 1
   ATOM 3333 HG3 . GLU A 107 ? 7.28711 7.11308 5.06203 1.000 31.70367 H ? A ? 108 HG3 1
   HETATM 3334 C1 . OP5 A 201 ? 4.39019 7.95583 24.72593 1.000 8.24223 C ? B ? . C1 1
   HETATM 3335 C10 . OP5 A 201 ? 2.08246 9.39118 25.74165 1.000 7.52794 C ? B ? . C10 1
   HETATM 3336 C11 . OP5 A 201 ? 2.81775 4.99668 26.06973 1.000 13.80288 C ? B ? . C11 1
   HETATM 3337 C12 . OP5 A 201 ? 2.78672 11.09666 23.95762 1.000 6.69712 C ? B ? . C12 1
   HETATM 3338 C14 . OP5 A 201 ? 5.34031 5.81083 21.60253 1.000 8.37988 C ? B ? . C14 1
   HETATM 3339 C15 . OP5 A 201 ? 7.41673 7.28265 24.56799 1.000 13.50027 C ? B ? . C15 1
   HETATM 3340 C16 . OP5 A 201 ? 1.48071 10.32681 26.78207 1.000 8.56325 C ? B ? . C16 1
   HETATM 3341 C17 . OP5 A 201 ? 1.48533 10.88038 23.24023 1.000 6.71794 C ? B ? . C17 1
   HETATM 3342 C19 . OP5 A 201 ? 5.90239 4.43871 21.99251 1.000 9.28759 C ? B ? . C19 1
   HETATM 3343 C2 . OP5 A 201 ? 3.21934 7.16814 25.34704 1.000 8.60119 C ? B ? . C2 1
   HETATM 3344 C20 . OP5 A 201 ? 6.42183 6.75566 21.09492 1.000 10.89593 C ? B ? . C20 1
   HETATM 3345 C23 . OP5 A 201 ? 4.91632 3.32935 21.72758 1.000 8.59696 C ? B ? . C23 1
   HETATM 3346 C24 . OP5 A 201 ? 0.17191 10.17081 21.36126 1.000 6.41343 C ? B ? . C24 1
   HETATM 3347 C25 . OP5 A 201 ? 2.64922 9.84136 21.30886 1.000 5.82832 C ? B ? . C25 1
   HETATM 3348 C26 . OP5 A 201 ? 4.19358 2.83829 22.73448 1.000 8.90624 C ? B ? . C26 1
   HETATM 3349 C27 . OP5 A 201 ? 4.82386 2.86639 20.26667 1.000 10.40744 C ? B ? . C27 1
   HETATM 3350 C28 . OP5 A 201 ? -0.41394 8.78424 21.22456 1.000 6.12760 C ? B ? . C28 1
   HETATM 3351 C29 . OP5 A 201 ? 0.27905 10.85937 19.99757 1.000 6.89095 C ? B ? . C29 1
   HETATM 3352 C30 . OP5 A 201 ? 2.73483 10.46822 19.92926 1.000 6.49119 C ? B ? . C30 1
   HETATM 3353 C31 . OP5 A 201 ? 3.15369 1.76738 22.65386 1.000 8.50373 C ? B ? . C31 1
   HETATM 3354 C34 . OP5 A 201 ? 1.42774 10.29181 19.18836 1.000 7.01260 C ? B ? . C34 1
   HETATM 3355 C35 . OP5 A 201 ? 1.84372 2.55861 22.61465 1.000 7.57241 C ? B ? . C35 1
   HETATM 3356 C36 . OP5 A 201 ? 3.19161 0.80959 23.83321 1.000 10.47385 C ? B ? . C36 1
   HETATM 3357 C37 . OP5 A 201 ? -0.27693 6.42934 21.46063 1.000 7.12887 C ? B ? . C37 1
   HETATM 3358 C38 . OP5 A 201 ? 1.34740 2.86167 21.24144 1.000 7.97757 C ? B ? . C38 1
   HETATM 3359 C4 . OP5 A 201 ? 5.26577 7.27580 23.67797 1.000 7.39045 C ? B ? . C4 1
   HETATM 3360 C40 . OP5 A 201 ? 2.17449 -0.30605 23.68108 1.000 10.22899 C ? B ? . C40 1
   HETATM 3361 C41 . OP5 A 201 ? -1.18414 6.12316 22.63187 1.000 6.82517 C ? B ? . C41 1
   HETATM 3362 C42 . OP5 A 201 ? 0.84652 5.39646 21.27054 1.000 7.19452 C ? B ? . C42 1
   HETATM 3363 C43 . OP5 A 201 ? 0.29695 3.95189 21.09489 1.000 7.43308 C ? B ? . C43 1
   HETATM 3364 C44 . OP5 A 201 ? 1.90230 -1.20732 24.86562 1.000 14.35242 C ? B ? . C44 1
   HETATM 3365 C46 . OP5 A 201 ? -2.45792 5.84034 22.34745 1.000 6.83137 C ? B ? . C46 1
   HETATM 3366 C47 . OP5 A 201 ? -0.55498 6.09573 23.99365 1.000 8.41786 C ? B ? . C47 1
   HETATM 3367 C48 . OP5 A 201 ? 1.73124 5.79986 20.11382 1.000 7.92620 C ? B ? . C48 1
   HETATM 3368 C5 . OP5 A 201 ? 2.51267 8.08235 26.35461 1.000 9.74322 C ? B ? . C5 1
   HETATM 3369 C50 . OP5 A 201 ? -3.50024 5.38704 23.31895 1.000 7.64276 C ? B ? . C50 1
   HETATM 3370 C51 . OP5 A 201 ? -4.71671 6.29336 23.29282 1.000 7.79200 C ? B ? . C51 1
   HETATM 3371 C52 . OP5 A 201 ? -3.88886 3.94051 22.97830 1.000 8.19254 C ? B ? . C52 1
   HETATM 3372 C53 . OP5 A 201 ? -5.83131 5.79449 24.18830 1.000 7.43505 C ? B ? . C53 1
   HETATM 3373 C54 . OP5 A 201 ? -4.99917 3.45024 23.86341 1.000 8.16231 C ? B ? . C54 1
   HETATM 3374 C55 . OP5 A 201 ? -6.21803 4.37326 23.80565 1.000 8.35265 C ? B ? . C55 1
   HETATM 3375 C58 . OP5 A 201 ? -7.13792 7.60148 24.97811 1.000 9.25069 C ? B ? . C58 1
   HETATM 3376 C7 . OP5 A 201 ? 3.25013 10.02966 24.94451 1.000 6.67888 C ? B ? . C7 1
   HETATM 3377 C8 . OP5 A 201 ? 4.48796 6.44455 22.71090 1.000 7.44310 C ? B ? . C8 1
   HETATM 3378 N21 . OP5 A 201 ? 1.46557 10.30165 22.05797 1.000 5.73446 N ? B ? . N21 1
   HETATM 3379 O13 . OP5 A 201 ? 4.19174 10.57349 25.80928 1.000 7.72384 O ? B ? . O13 1
   HETATM 3380 O18 . OP5 A 201 ? 3.39777 12.11999 23.74301 1.000 7.73727 O ? B ? . O18 1
   HETATM 3381 O22 . OP5 A 201 ? 0.47366 11.31264 23.80781 1.000 7.78203 O ? B ? . O22 1
   HETATM 3382 O3 . OP5 A 201 ? 3.82665 9.09592 24.06866 1.000 6.71764 O ? B ? . O3 1
   HETATM 3383 O32 . OP5 A 201 ? 0.34012 7.74856 21.63345 1.000 6.53030 O ? B ? . O32 1
   HETATM 3384 O33 . OP5 A 201 ? -1.49340 8.66575 20.71051 1.000 6.56692 O ? B ? . O33 1
   HETATM 3385 O39 . OP5 A 201 ? 1.24715 2.90336 23.59282 1.000 8.61969 O ? B ? . O39 1
   HETATM 3386 O45 . OP5 A 201 ? 1.60621 -0.50974 22.61992 1.000 12.52350 O ? B ? . O45 1
   HETATM 3387 O49 . OP5 A 201 ? -0.26894 3.71807 19.79842 1.000 8.22532 O ? B ? . O49 1
   HETATM 3388 O56 . OP5 A 201 ? -7.02313 6.55377 24.06501 1.000 9.29106 O ? B ? . O56 1
   HETATM 3389 O57 . OP5 A 201 ? -7.22222 3.87665 24.67435 1.000 9.56029 O ? B ? . O57 1
   HETATM 3390 O6 . OP5 A 201 ? 3.74858 5.99120 25.91102 1.000 9.80782 O ? B ? . O6 1
   HETATM 3391 O9 . OP5 A 201 ? 6.30729 6.52145 24.24535 1.000 9.49716 O ? B ? . O9 1
   HETATM 3392 H1 . OP5 A 201 ? 4.98376 8.22347 25.44491 1.000 9.89067 H ? B ? . H1 1
   HETATM 3393 H2 . OP5 A 201 ? 2.57677 6.92396 24.66266 1.000 10.32143 H ? B ? . H2 1
   HETATM 3394 H3 . OP5 A 201 ? 1.35091 5.39175 22.09907 1.000 8.63343 H ? B ? . H3 1
   HETATM 3395 H10 . OP5 A 201 ? -1.21203 6.13950 24.70587 1.000 10.10143 H ? B ? . H10 1
   HETATM 3396 H11 . OP5 A 201 ? -0.03932 5.28857 24.14692 1.000 10.10143 H ? B ? . H11 1
   HETATM 3397 H12 . OP5 A 201 ? 2.05212 6.70980 20.21359 1.000 9.51144 H ? B ? . H12 1
   HETATM 3398 H13 . OP5 A 201 ? 1.25576 5.75012 19.26981 1.000 9.51144 H ? B ? . H13 1
   HETATM 3399 H14 . OP5 A 201 ? 2.50833 5.22351 20.04419 1.000 9.51144 H ? B ? . H14 1
   HETATM 3400 H15 . OP5 A 201 ? -3.17030 5.42942 24.23012 1.000 9.17131 H ? B ? . H15 1
   HETATM 3401 H16 . OP5 A 201 ? -5.03684 6.36381 22.37988 1.000 9.35040 H ? B ? . H16 1
   HETATM 3402 H17 . OP5 A 201 ? -4.45057 7.18492 23.56704 1.000 9.35040 H ? B ? . H17 1
   HETATM 3403 H18 . OP5 A 201 ? -3.11162 3.36776 23.07180 1.000 9.83104 H ? B ? . H18 1
   HETATM 3404 H19 . OP5 A 201 ? -4.15850 3.89012 22.04790 1.000 9.83104 H ? B ? . H19 1
   HETATM 3405 H20 . OP5 A 201 ? -5.51425 5.81348 25.10483 1.000 8.92207 H ? B ? . H20 1
   HETATM 3406 H21 . OP5 A 201 ? -6.52470 4.38095 22.88544 1.000 10.02318 H ? B ? . H21 1
   HETATM 3407 H22 . OP5 A 201 ? -8.01385 8.00106 24.85989 1.000 11.10083 H ? B ? . H22 1
   HETATM 3408 H23 . OP5 A 201 ? -6.43286 8.23918 24.78543 1.000 11.10083 H ? B ? . H23 1
   HETATM 3409 H24 . OP5 A 201 ? -7.03987 7.22890 25.86832 1.000 11.10083 H ? B ? . H24 1
   HETATM 3410 H25 . OP5 A 201 ? 2.22479 5.26658 26.78838 1.000 16.56345 H ? B ? . H25 1
   HETATM 3411 H26 . OP5 A 201 ? 3.29745 4.18337 26.29179 1.000 16.56345 H ? B ? . H26 1
   HETATM 3412 H27 . OP5 A 201 ? 2.34068 4.90937 25.22968 1.000 16.56345 H ? B ? . H27 1
   HETATM 3413 H28 . OP5 A 201 ? 4.75420 5.64941 20.84668 1.000 10.05585 H ? B ? . H28 1
   HETATM 3414 H29 . OP5 A 201 ? 7.16901 7.86536 25.30283 1.000 16.20032 H ? B ? . H29 1
   HETATM 3415 H30 . OP5 A 201 ? 7.66092 7.79366 23.78049 1.000 16.20032 H ? B ? . H30 1
   HETATM 3416 H31 . OP5 A 201 ? 8.12580 6.67303 24.82582 1.000 16.20032 H ? B ? . H31 1
   HETATM 3417 H32 . OP5 A 201 ? 2.11292 10.54577 27.48440 1.000 10.27591 H ? B ? . H32 1
   HETATM 3418 H33 . OP5 A 201 ? 1.19270 11.16744 26.39311 1.000 10.27591 H ? B ? . H33 1
   HETATM 3419 H34 . OP5 A 201 ? 0.70452 9.93887 27.21559 1.000 10.27591 H ? B ? . H34 1
   HETATM 3420 H35 . OP5 A 201 ? 6.72011 4.27614 21.49673 1.000 11.14511 H ? B ? . H35 1
   HETATM 3421 H36 . OP5 A 201 ? 6.14180 4.44730 22.93246 1.000 11.14511 H ? B ? . H36 1
   HETATM 3422 H37 . OP5 A 201 ? 7.12339 6.85536 21.75732 1.000 13.07512 H ? B ? . H37 1
   HETATM 3423 H38 . OP5 A 201 ? 6.04773 7.63125 20.90972 1.000 13.07512 H ? B ? . H38 1
   HETATM 3424 H39 . OP5 A 201 ? 6.81696 6.41165 20.27857 1.000 13.07512 H ? B ? . H39 1
   HETATM 3425 H4 . OP5 A 201 ? -0.38034 3.84295 21.78067 1.000 8.91969 H ? B ? . H4 1
   HETATM 3426 H40 . OP5 A 201 ? -0.48602 10.60646 21.92539 1.000 7.69612 H ? B ? . H40 1
   HETATM 3427 H41 . OP5 A 201 ? 3.44845 10.05068 21.81710 1.000 6.99398 H ? B ? . H41 1
   HETATM 3428 H42 . OP5 A 201 ? 2.62056 8.87487 21.23146 1.000 6.99398 H ? B ? . H42 1
   HETATM 3429 H43 . OP5 A 201 ? 4.33476 3.18400 23.58621 1.000 10.68749 H ? B ? . H43 1
   HETATM 3430 H44 . OP5 A 201 ? 5.67362 2.85412 19.79906 1.000 12.48893 H ? B ? . H44 1
   HETATM 3431 H45 . OP5 A 201 ? 4.25107 3.41739 19.71060 1.000 12.48893 H ? B ? . H45 1
   HETATM 3432 H46 . OP5 A 201 ? 4.47507 1.96809 20.15570 1.000 12.48893 H ? B ? . H46 1
   HETATM 3433 H47 . OP5 A 201 ? 0.39724 11.81217 20.13575 1.000 8.26914 H ? B ? . H47 1
   HETATM 3434 H48 . OP5 A 201 ? -0.55982 10.74826 19.52337 1.000 8.26914 H ? B ? . H48 1
   HETATM 3435 H49 . OP5 A 201 ? 3.46928 10.05226 19.45129 1.000 7.78943 H ? B ? . H49 1
   HETATM 3436 H5 . OP5 A 201 ? 1.14143 -1.78716 24.70513 1.000 17.22291 H ? B ? . H5 1
   HETATM 3437 H50 . OP5 A 201 ? 2.95567 11.40682 20.03489 1.000 7.78943 H ? B ? . H50 1
   HETATM 3438 H51 . OP5 A 201 ? 5.67638 8.00687 23.19029 1.000 8.86854 H ? B ? . H51 1
   HETATM 3439 H52 . OP5 A 201 ? 1.72525 7.64799 26.71819 1.000 11.69186 H ? B ? . H52 1
   HETATM 3440 H53 . OP5 A 201 ? 3.09428 8.27937 27.10549 1.000 11.69186 H ? B ? . H53 1
   HETATM 3441 H54 . OP5 A 201 ? 4.01850 5.75107 23.20037 1.000 8.93172 H ? B ? . H54 1
   HETATM 3442 H55 . OP5 A 201 ? 3.79147 6.99223 22.31613 1.000 8.93172 H ? B ? . H55 1
   HETATM 3443 H56 . OP5 A 201 ? 1.40379 9.16034 25.08818 1.000 9.03353 H ? B ? . H56 1
   HETATM 3444 H57 . OP5 A 201 ? 4.58150 11.23320 25.44134 1.000 9.26861 H ? B ? . H57 1
   HETATM 3445 H58 . OP5 A 201 ? 3.27128 1.23957 21.84857 1.000 10.20447 H ? B ? . H58 1
   HETATM 3446 H59 . OP5 A 201 ? 1.46570 10.73508 18.32640 1.000 8.41512 H ? B ? . H59 1
   HETATM 3447 H6 . OP5 A 201 ? 1.71062 -0.69517 25.66678 1.000 17.22291 H ? B ? . H6 1
   HETATM 3448 H60 . OP5 A 201 ? 1.26449 9.35232 19.01061 1.000 8.41512 H ? B ? . H60 1
   HETATM 3449 H61 . OP5 A 201 ? 4.07567 0.42385 23.93586 1.000 12.56862 H ? B ? . H61 1
   HETATM 3450 H62 . OP5 A 201 ? 3.02711 1.28037 24.66519 1.000 12.56862 H ? B ? . H62 1
   HETATM 3451 H63 . OP5 A 201 ? -0.80560 6.49430 20.64996 1.000 8.55465 H ? B ? . H63 1
   HETATM 3452 H64 . OP5 A 201 ? 2.13378 3.06848 20.71254 1.000 9.57309 H ? B ? . H64 1
   HETATM 3453 H65 . OP5 A 201 ? 1.02274 2.02087 20.88290 1.000 9.57309 H ? B ? . H65 1
   HETATM 3454 H66 . OP5 A 201 ? -0.27961 2.88047 19.65416 1.000 9.87039 H ? B ? . H66 1
   HETATM 3455 H67 . OP5 A 201 ? -4.68632 3.39008 24.77960 1.000 9.79477 H ? B ? . H67 1
   HETATM 3456 H68 . OP5 A 201 ? -5.26197 2.55582 23.59536 1.000 9.79477 H ? B ? . H68 1
   HETATM 3457 H69 . OP5 A 201 ? -7.44496 3.10520 24.39550 1.000 11.47235 H ? B ? . H69 1
   HETATM 3458 H7 . OP5 A 201 ? 2.66241 -1.77687 25.06246 1.000 17.22291 H ? B ? . H7 1
   HETATM 3459 H8 . OP5 A 201 ? -2.74817 5.92598 21.46807 1.000 8.19765 H ? B ? . H8 1
   HETATM 3460 H9 . OP5 A 201 ? 0.05204 6.83882 24.13593 1.000 10.10143 H ? B ? . H9 1
   HETATM 3461 CD . CD A 202 ? 1.17591 1.87349 13.62520 1.000 6.47774 Cd ? C ? . CD 1
   HETATM 3462 CL . CL A 203 ? -0.12211 0.03878 12.23503 0.505 6.42185 Cl ? D ? . CL 1
   HETATM 3463 CL . CL A 204 ? 2.72227 2.77774 11.85752 1.000 7.61156 Cl ? E ? . CL 1
   HETATM 3464 NA . NA A 205 ? 0.05094 0.07447 17.47624 0.294 15.77709 Na 1+ F ? . NA 1
   HETATM 3465 O . HOH A 301 ? -11.25534 6.08609 14.97399 0.768 15.02405 O ? G ? . O 1
   HETATM 3466 O . HOH A 302 ? -14.25635 12.70967 16.09870 1.000 20.23395 O ? G ? . O 1
   HETATM 3467 O . HOH A 303 ? -11.59301 16.41776 31.13558 1.000 14.08647 O ? G ? . O 1
   HETATM 3468 O . HOH A 304 ? -2.43949 26.28706 22.84021 1.000 13.89984 O ? G ? . O 1
   HETATM 3470 O . HOH A 306 ? -11.09691 17.88258 14.08661 0.965 26.59592 O ? G ? . O 1
   HETATM 3471 O . HOH A 307 ? 3.62748 2.08104 3.54316 0.725 14.85286 O ? G ? . O 1
   HETATM 3472 O . HOH A 308 ? -2.35155 28.80313 27.27836 0.973 21.43799 O ? G ? . O 1
   HETATM 3473 O . HOH A 309 ? -2.63370 6.78494 7.43561 0.991 14.45724 O ? G ? . O 1
   HETATM 3474 O . HOH A 310 ? -6.30909 28.27176 17.40335 0.955 29.17199 O ? G ? . O 1
   HETATM 3477 O . HOH A 313 ? -8.38915 21.76465 29.30247 0.856 11.08387 O ? G ? . O 1
   HETATM 3479 O . HOH A 315 ? -2.53955 21.94285 29.75836 0.980 12.04232 O ? G ? . O 1
   HETATM 3480 O . HOH A 316 ? 7.85411 10.82378 28.51527 0.957 17.54610 O ? G ? . O 1
   HETATM 3481 O . HOH A 317 ? 1.83732 2.71741 4.71626 0.998 30.00921 O ? G ? . O 1
   HETATM 3483 O . HOH A 319 ? -2.68249 25.09910 18.45440 0.962 9.15012 O ? G ? . O 1
   HETATM 3484 O . HOH A 320 ? -7.64135 7.94890 16.82117 1.000 12.22423 O ? G ? . O 1
   HETATM 3485 O . HOH A 321 ? -10.57470 9.38984 30.87841 1.000 7.31788 O ? G ? . O 1
   HETATM 3486 O . HOH A 322 ? 12.01054 5.37897 7.24552 1.000 35.60637 O ? G ? . O 1
   HETATM 3487 O . HOH A 323 ? 7.94422 25.57271 5.28783 0.997 14.48778 O ? G ? . O 1
   HETATM 3488 O . HOH A 325 ? -6.46630 26.95759 12.80437 0.999 18.33267 O ? G ? . O 1
   HETATM 3489 O . HOH A 327 ? -4.31792 3.39389 7.65138 0.931 11.30144 O ? G ? . O 1
   HETATM 3490 O . HOH A 328 ? -6.13122 14.34006 5.17183 0.975 14.17307 O ? G ? . O 1
   HETATM 3491 O . HOH A 329 ? -7.20094 23.56740 10.75405 0.935 18.46252 O ? G ? . O 1
   HETATM 3492 O . HOH A 330 ? 1.01322 10.82467 -0.62757 0.977 19.72885 O ? G ? . O 1
   HETATM 3493 O . HOH A 332 ? -5.06366 5.53971 14.01952 1.000 7.70934 O ? G ? . O 1
   HETATM 3494 O . HOH A 334 ? 0.13716 26.93625 24.42681 0.895 27.42931 O ? G ? . O 1
   HETATM 3496 O . HOH A 336 ? 2.32359 16.87698 32.25729 0.903 15.28209 O ? G ? . O 1
   HETATM 3497 O . HOH A 337 ? 15.73973 14.94674 16.52345 0.928 24.93970 O ? G ? . O 1
   HETATM 3498 O . HOH A 340 ? -6.26107 21.53657 30.83440 1.000 7.42660 O ? G ? . O 1
   HETATM 3499 O . HOH A 341 ? -1.03195 22.82186 4.41871 0.997 10.52131 O ? G ? . O 1
   HETATM 3502 O . HOH A 345 ? -1.61909 24.70451 -2.56866 0.916 24.34551 O ? G ? . O 1
   HETATM 3503 O . HOH A 346 ? 11.85660 12.16592 25.07639 0.948 21.02640 O ? G ? . O 1
   HETATM 3505 O . HOH A 348 ? -9.23948 21.48567 13.73122 0.956 11.91834 O ? G ? . O 1
   HETATM 3507 O . HOH A 350 ? 2.29216 3.28181 15.17844 0.999 7.57552 O ? G ? . O 1
   HETATM 3508 O . HOH A 351 ? -1.53688 11.65469 0.51158 1.000 16.78432 O ? G ? . O 1
   HETATM 3509 O . HOH A 352 ? -5.83440 14.45878 30.81768 1.000 5.80766 O ? G ? . O 1
   HETATM 3510 O . HOH A 353 ? -0.83924 26.11168 7.00859 0.916 13.35535 O ? G ? . O 1
   HETATM 3511 O . HOH A 354 ? -8.39416 22.21126 21.31951 0.942 13.01304 O ? G ? . O 1
   HETATM 3512 O . HOH A 355 ? -4.52889 -0.36487 16.18512 0.994 9.86222 O ? G ? . O 1
   HETATM 3513 O . HOH A 356 ? -4.89355 27.59336 23.87235 0.943 14.70360 O ? G ? . O 1
   HETATM 3514 O . HOH A 357 ? -5.51459 19.81645 34.25446 0.948 15.39925 O ? G ? . O 1
   HETATM 3515 O . HOH A 358 ? -3.00549 26.08515 10.58060 0.850 14.86172 O ? G ? . O 1
   HETATM 3516 O . HOH A 359 ? -8.60197 11.92761 10.23345 0.926 19.79215 O ? G ? . O 1
   HETATM 3517 O . HOH A 360 ? 11.28687 5.96293 13.08367 1.000 39.68673 O ? G ? . O 1
   HETATM 3518 O . HOH A 361 ? 4.50688 18.38876 31.35387 0.915 12.46081 O ? G ? . O 1
   HETATM 3519 O . HOH A 363 ? 5.36999 14.63824 32.99819 0.871 17.89334 O ? G ? . O 1
   HETATM 3521 O . HOH A 365 ? 19.54363 9.92183 20.83205 0.941 20.02686 O ? G ? . O 1
   HETATM 3522 O . HOH A 367 ? -8.74137 5.74890 14.06720 0.965 10.79922 O ? G ? . O 1
   HETATM 3523 O . HOH A 368 ? -3.11965 4.58845 0.89106 0.916 19.33485 O ? G ? . O 1
   HETATM 3524 O . HOH A 370 ? -7.09411 10.14220 37.19010 1.000 9.94155 O ? G ? . O 1
   HETATM 3525 O . HOH A 371 ? 1.43499 2.81321 17.74889 0.996 15.35933 O ? G ? . O 1
   HETATM 3527 O . HOH A 373 ? 3.34207 21.14898 -3.45919 0.809 16.25179 O ? G ? . O 1
   HETATM 3528 O . HOH A 374 ? 12.79409 18.36804 14.62003 0.986 22.96245 O ? G ? . O 1
   HETATM 3529 O . HOH A 375 ? -5.06254 14.72566 28.13536 1.000 6.09237 O ? G ? . O 1
   HETATM 3530 O . HOH A 376 ? 13.52942 10.17364 6.69025 0.859 26.02365 O ? G ? . O 1
   HETATM 3531 O . HOH A 378 ? 4.36962 6.51257 28.54241 1.000 24.60410 O ? G ? . O 1
   HETATM 3532 O . HOH A 379 ? -3.47789 14.97568 -0.56373 0.997 17.82398 O ? G ? . O 1
   HETATM 3533 O . HOH A 380 ? -7.72813 23.88967 13.40513 0.992 13.27383 O ? G ? . O 1
   HETATM 3534 O . HOH A 381 ? -2.07738 1.42109 20.00604 0.947 16.86560 O ? G ? . O 1
   HETATM 3535 O . HOH A 382 ? 6.47977 16.95996 32.43621 0.919 18.03781 O ? G ? . O 1
   HETATM 3537 O . HOH A 384 ? 0.77066 24.53884 5.32736 0.997 10.52917 O ? G ? . O 1
   HETATM 3538 O . HOH A 385 ? 9.58758 22.04527 29.71134 0.985 12.29010 O ? G ? . O 1
   HETATM 3540 O . HOH A 387 ? -2.59695 22.99974 6.85087 0.979 18.93241 O ? G ? . O 1
   HETATM 3543 O . HOH A 391 ? 0.86663 2.45569 26.49677 0.990 17.30448 O ? G ? . O 1
   HETATM 3544 O . HOH A 394 ? 6.03066 12.13237 1.55806 1.000 14.60449 O ? G ? . O 1
   HETATM 3545 O . HOH A 395 ? -12.53928 17.91957 26.43865 1.000 11.56060 O ? G ? . O 1
   HETATM 3546 O . HOH A 397 ? -8.38229 22.41739 24.33472 0.915 13.96982 O ? G ? . O 1
   HETATM 3547 O . HOH A 398 ? -6.93165 17.96362 4.95317 1.000 22.34177 O ? G ? . O 1
   HETATM 3548 O . HOH A 399 ? -14.34575 19.08278 17.66635 1.000 20.60067 O ? G ? . O 1
   HETATM 3549 O . HOH A 400 ? 7.36371 4.75662 15.65723 0.999 14.60568 O ? G ? . O 1
   HETATM 3550 O . HOH A 401 ? 2.42449 17.73708 34.95871 0.999 19.55903 O ? G ? . O 1
   HETATM 3552 O . HOH A 403 ? -11.79877 19.80574 16.28971 0.839 17.88816 O ? G ? . O 1
   HETATM 3554 O . HOH A 405 ? -5.52572 18.59312 37.15890 0.988 20.57191 O ? G ? . O 1
   HETATM 3555 O . HOH A 406 ? 8.43578 22.47777 21.22057 1.000 16.86748 O ? G ? . O 1
   HETATM 3556 O . HOH A 407 ? 5.39776 2.76836 15.04600 1.000 24.23615 O ? G ? . O 1
   HETATM 3558 O . HOH A 409 ? 10.26875 10.27508 27.17177 0.582 22.34105 O ? G ? . O 1
   HETATM 3559 O . HOH A 411 ? 2.24738 0.23452 14.78146 1.000 9.01611 O ? G ? . O 1
   HETATM 3560 O . HOH A 414 ? -11.88114 19.32727 31.40577 0.994 23.77854 O ? G ? . O 1
   HETATM 3562 O . HOH A 418 ? -0.35610 28.33728 30.73671 0.470 15.27987 O ? G ? . O 1
   HETATM 3563 O . HOH A 420 ? -0.97081 4.46562 27.37887 1.000 16.06101 O ? G ? . O 1
   HETATM 3564 O . HOH A 421 ? -12.63887 3.81955 15.08386 0.822 18.09733 O ? G ? . O 1
   HETATM 3565 O . HOH A 422 ? 12.34441 7.54071 8.99977 0.869 27.06590 O ? G ? . O 1
   HETATM 3567 O . HOH A 425 ? -4.89309 24.42125 9.59505 0.773 17.58383 O ? G ? . O 1
   HETATM 3568 O . HOH A 426 ? -2.99666 7.03746 -0.62921 0.823 22.88170 O ? G ? . O 1
   HETATM 3569 O . HOH A 427 ? 3.55354 11.15725 -0.35332 0.688 23.76993 O ? G ? . O 1
   HETATM 3571 O . HOH A 429 ? -3.71836 5.80600 27.19279 0.991 13.39082 O ? G ? . O 1
   HETATM 3572 O . HOH A 430 ? 9.46583 3.63287 14.19335 0.906 25.77885 O ? G ? . O 1
   HETATM 3573 O . HOH A 431 ? 8.30109 23.56196 23.75353 0.814 4.91040 O ? G ? . O 1
   HETATM 3574 O . HOH A 432 ? -5.88763 6.82557 -1.29057 0.999 15.69563 O ? G ? . O 1
   HETATM 3576 O . HOH A 434 ? -3.51676 27.84984 30.00374 0.811 15.62991 O ? G ? . O 1
   HETATM 3577 O . HOH A 436 ? 17.04703 17.01385 27.29112 0.393 11.16525 O ? G ? . O 1
   HETATM 3578 O . HOH A 437 ? 2.86825 0.48195 18.39527 0.996 13.61399 O ? G ? . O 1
   HETATM 3579 O . HOH A 438 ? 13.28262 6.22603 11.18813 0.850 30.08783 O ? G ? . O 1
   HETATM 3581 O . HOH A 441 ? -0.37724 28.96300 6.09447 0.473 14.46534 O ? G ? . O 1
   HETATM 3582 O . HOH A 442 ? 15.95598 6.76341 12.14241 0.969 24.65836 O ? G ? . O 1
   HETATM 4003 O . HOH S 443 ? 7.98248 24.46344 25.67220 0.721 15.71236 O ? H ? . O 1
   HETATM 4005 O . HOH S 445 ? -3.53947 18.29897 38.72376 0.835 20.07760 O ? H ? . O 1
   HETATM 4006 O . HOH S 446 ? -3.65115 28.00885 8.93287 0.990 25.10148 O ? H ? . O 1
   HETATM 4007 O . HOH S 447 ? -10.84563 20.79584 29.51125 0.799 24.65080 O ? H ? . O 1
   HETATM 4008 O . HOH S 448 ? 14.47439 16.73071 15.37584 1.000 27.19276 O ? H ? . O 1
   HETATM 4009 O . HOH S 449 ? -9.13961 9.16108 10.63694 0.924 23.99756 O ? H ? . O 1
   HETATM 4010 O . HOH S 450 ? 12.35948 14.35577 26.36607 1.000 27.97381 O ? H ? . O 1
   HETATM 4011 O . HOH S 451 ? 12.29958 12.44910 7.03831 0.997 21.20709 O ? H ? . O 1
   HETATM 4012 O . HOH S 452 ? 13.23391 19.23209 11.61149 1.000 27.21905 O ? H ? . O 1
   HETATM 4013 O . HOH S 453 ? 9.54186 6.16226 17.62491 0.655 18.93389 O ? H ? . O 1
   HETATM 4015 O . HOH S 455 ? 18.50923 7.60072 19.78192 0.857 33.79105 O ? H ? . O 1
   HETATM 4016 O . HOH S 456 ? 8.73001 29.43142 8.51384 1.000 25.03025 O ? H ? . O 1
   HETATM 4018 O . HOH S 458 ? 5.70239 9.51361 27.92507 0.952 28.45838 O ? H ? . O 1
   HETATM 4019 O . HOH S 459 ? -8.47047 8.51944 3.62445 0.999 25.28346 O ? H ? . O 1
   HETATM 4021 O . HOH S 461 ? 2.32258 22.97399 34.84546 0.961 32.64601 O ? H ? . O 1
   HETATM 4025 O . HOH S 465 ? 7.19814 25.68501 22.63994 1.000 29.87491 O ? H ? . O 1
   HETATM 4026 O . HOH S 466 ? 10.14987 18.64340 31.35876 0.391 14.44680 O ? H ? . O 1
   HETATM 4030 O . HOH S 470 ? -6.13664 15.34542 0.05282 1.000 35.50238 O ? H ? . O 1
   HETATM 4033 O . HOH S 473 ? 3.74708 17.98233 -3.61582 0.816 26.23930 O ? H ? . O 1
   HETATM 4034 O . HOH S 474 ? 19.72911 14.17742 21.54356 0.869 25.90271 O ? H ? . O 1
   HETATM 4035 O . HOH S 475 ? 14.78149 17.57291 28.18990 1.000 32.67623 O ? H ? . O 1
   HETATM 4037 O . HOH S 477 ? 10.51744 28.05438 11.20801 0.507 16.19272 O ? H ? . O 1
   HETATM 4039 O . HOH S 479 ? -8.78858 -0.51268 16.23124 0.888 35.26326 O ? H ? . O 1
   HETATM 4047 O . HOH S 487 ? 12.33728 9.95832 25.41819 0.325 17.97699 O ? H ? . O 1
   HETATM 4051 O . HOH S 491 ? -7.03665 14.24832 2.76507 0.999 31.40097 O ? H ? . O 1
   HETATM 4054 O . HOH S 494 ? -7.50496 11.61849 5.75292 0.573 18.63851 O ? H ? . O 1
   HETATM 4055 O . HOH S 495 ? -5.19022 26.42122 10.98768 0.256 16.01052 O ? H ? . O 1
   HETATM 4059 O . HOH S 499 ? 9.02283 13.95318 2.60027 0.855 27.19316 O ? H ? . O 1
   HETATM 4061 O . HOH S 501 ? 14.79653 10.54820 26.08559 1.000 33.77000 O ? H ? . O 1
   HETATM 4069 O . HOH S 509 ? 12.02699 18.65081 21.95581 0.604 22.85407 O ? H ? . O 1
   HETATM 4118 O . HOH S 518 ? 15.08935 10.18130 4.30574 1.000 24.38706 O ? I ? . O 1
   HETATM 4123 O . HOH S 523 ? 12.00133 22.16325 11.99309 0.941 29.74124 O ? I ? . O 1
   HETATM 4124 O . HOH S 524 ? 10.65145 24.75628 23.97772 0.562 20.34591 O ? I ? . O 1
   HETATM 4125 O . HOH S 525 ? -14.13791 14.98174 15.51781 0.833 39.56332 O ? I ? . O 1
   HETATM 4133 O . HOH S 533 ? -2.12022 28.60439 20.91043 1.000 32.45010 O ? I ? . O 1
   HETATM 4135 O . HOH S 535 ? 11.54878 14.05557 5.50150 0.680 26.15671 O ? I ? . O 1
   HETATM 4137 O . HOH S 537 ? 11.54089 12.62463 2.15002 1.000 31.38434 O ? I ? . O 1
   HETATM 4143 O . HOH S 540 ? 10.19327 8.55217 18.69284 0.720 17.14426 O ? J ? . O 1
   HETATM 4149 O . HOH S 546 ? -14.34524 21.47254 21.87369 0.832 30.46488 O ? J ? . O 1
   HETATM 4151 O . HOH S 548 ? 12.85704 12.93758 4.04924 0.471 17.43290 O ? J ? . O 1
   HETATM 4152 O . HOH S 549 ? -11.37052 12.02158 11.13345 0.413 12.62598 O ? J ? . O 1
   HETATM 4157 O . HOH S 554 ? -12.13205 7.13664 12.36159 1.000 39.43012 O ? J ? . O 1
   HETATM 4158 O . HOH S 555 ? -10.25178 0.74117 14.84801 0.689 24.55134 O ? J ? . O 1
   HETATM 4162 O . HOH S 559 ? 12.33870 13.70192 0.38485 0.545 25.17051 O ? J ? . O 1
   HETATM 4164 O . HOH S 561 ? 7.56961 5.12804 18.11419 0.364 14.62776 O ? J ? . O 1
   HETATM 4168 O . HOH S 565 ? 3.53325 1.14791 7.33202 0.513 21.28594 O ? J ? . O 1
   HETATM 4172 O . HOH S 569 ? -6.55799 27.13803 15.13784 0.529 25.07795 O ? J ? . O 1
   HETATM 4173 O . HOH S 570 ? 7.78887 13.68581 0.61118 0.429 19.03016 O ? J ? . O 1
   HETATM 4175 O . HOH S 572 ? 10.81903 20.78232 21.12508 0.521 27.55389 O ? J ? . O 1
   HETATM 4178 O . HOH S 575 ? -14.45168 24.03873 22.16768 0.631 35.93619 O ? J ? . O 1
   HETATM 4184 O . HOH S 581 ? -9.04119 25.61624 10.82922 0.798 39.68977 O ? J ? . O 1
   HETATM 4195 O . HOH S 584 ? -11.63294 21.56238 12.43671 0.558 14.23321 O ? K ? . O 1
   HETATM 4196 O . HOH S 585 ? -13.09354 16.24489 13.83951 0.489 20.13940 O ? K ? . O 1
   HETATM 4198 O . HOH S 587 ? -13.63130 0.39907 17.76092 0.621 17.41591 O ? K ? . O 1
   HETATM 4206 O . HOH S 595 ? -15.08541 4.54783 14.22268 0.509 21.45511 O ? K ? . O 1
   HETATM 4209 O . HOH S 598 ? -12.16883 17.78256 15.96267 0.380 17.03827 O ? K ? . O 1
   HETATM 4210 O . HOH S 599 ? 0.41264 15.29891 -3.41851 0.531 21.79330 O ? K ? . O 1
   HETATM 4214 O . HOH S 603 ? -1.60098 27.64728 29.13977 0.207 14.34604 O ? K ? . O 1
   HETATM 4216 O . HOH S 605 ? -13.74666 8.38112 9.70429 0.651 30.32568 O ? K ? . O 1
   HETATM 4221 O . HOH S 610 ? -13.79645 8.38215 11.86381 0.446 25.16199 O ? K ? . O 1
   HETATM 4223 O . HOH S 612 ? -14.00914 1.80047 16.35149 0.577 20.99588 O ? K ? . O 1
   HETATM 4226 O . HOH S 615 ? -1.87425 6.44418 -2.81987 0.978 41.33663 O ? K ? . O 1
   HETATM 4227 O . HOH S 616 ? 12.73603 19.04585 30.10985 0.490 23.93762 O ? K ? . O 1
   HETATM 4231 O . HOH S 620 ? -2.56266 15.70496 39.15886 0.570 34.24947 O ? K ? . O 1
   HETATM 4232 O . HOH S 621 ? 8.88721 29.40910 10.90642 0.281 20.39550 O ? K ? . O 1
   HETATM 4247 O . HOH S 622 ? 5.91438 17.82799 -2.02539 0.580 16.42226 O ? L ? . O 1
   HETATM 4249 O . HOH S 624 ? 8.24419 16.08092 0.54307 0.873 31.93089 O ? L ? . O 1
   HETATM 4253 O . HOH S 628 ? -4.78911 26.78389 19.19162 0.432 16.91237 O ? L ? . O 1
   HETATM 4255 O . HOH S 630 ? -11.30939 22.14493 27.12937 0.556 22.24725 O ? L ? . O 1
   HETATM 4258 O . HOH S 633 ? 8.21353 9.03611 1.68953 0.836 29.78980 O ? L ? . O 1
   HETATM 4269 O . HOH S 644 ? -11.85193 19.91893 13.70727 0.276 17.49465 O ? L ? . O 1
   HETATM 4280 O . HOH S 655 ? -16.40528 14.25194 24.54172 0.336 14.40672 O ? L ? . O 1

data_comp_OP5
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
   OP5 C1 C CH1 0 0.009 4.6018 7.6474 24.6191
   OP5 C2 C CH1 0 0.069 3.7912 6.5854 25.3619
   OP5 O3 O O2 0 -0.525 3.7187 8.6576 24.1431
   OP5 C42 C CH1 0 -0.301 0.7503 5.3430 21.5636
   OP5 C43 C CH1 0 0.064 0.2452 3.8868 21.6412
   OP5 C44 C CH3 0 -0.766 3.0593 -0.6231 25.5997
   OP5 C46 C C1 0 -0.216 -2.7250 5.8059 22.2772
   OP5 C47 C CH3 0 -0.752 -0.9718 6.1928 24.0461
   OP5 C48 C CH3 0 -0.696 1.6319 5.5959 20.3442
   OP5 C50 C CH1 0 -0.331 -3.9203 5.5702 23.1427
   OP5 C51 C CH2 0 -0.455 -4.9968 6.6123 22.8182
   OP5 C52 C CH2 0 -0.422 -4.4799 4.1599 22.9282
   OP5 C53 C CH1 0 0.050 -6.2651 6.3781 23.6303
   OP5 C55 C CH1 0 0.066 -6.8127 4.9770 23.3798
   OP5 C12 C C 0 0.249 2.2913 10.4269 24.2843
   OP5 C14 C CH1 0 -0.224 5.3818 5.9678 21.1052
   OP5 C17 C C 0 0.518 1.0555 10.0777 23.4663
   OP5 C19 C CH2 0 -0.487 6.0770 4.6033 21.3047
   OP5 C20 C CH3 0 -0.680 6.3641 7.0072 20.5731
   OP5 C23 C C 0 0.110 5.0981 3.4579 21.3600
   OP5 C24 C CH1 0 -0.261 -0.0910 10.0048 21.3674
   OP5 C25 C CH2 0 -0.337 2.3975 9.8489 21.4088
   OP5 C26 C C1 0 -0.241 4.5797 3.0736 22.5304
   OP5 C27 C CH3 0 -0.742 4.7547 2.8608 20.0290
   OP5 C28 C C 0 0.622 -0.5962 8.6074 21.0300
   OP5 C29 C CH2 0 -0.437 0.0180 10.8962 20.1271
   OP5 C30 C CH2 0 -0.433 2.4956 10.7724 20.2091
   OP5 C4 C CH1 0 0.047 5.4228 7.2001 23.3944
   OP5 C5 C CH2 0 -0.473 2.9691 7.2639 26.4590
   OP5 O6 O O2 0 -0.486 4.7053 5.6470 25.8716
   OP5 C7 C CT 0 0.446 3.0254 9.3717 25.1383
   OP5 C8 C CH2 0 -0.490 4.6102 6.4505 22.3452
   OP5 O9 O O2 0 -0.479 6.5303 6.4236 23.7803
   OP5 C10 C CH1 0 -0.302 2.1214 8.4200 25.9232
   OP5 O13 O OH1 0 -0.650 3.8680 10.0051 26.0240
   OP5 O18 O O 0 -0.340 2.6406 11.5786 24.3037
   OP5 N21 N NT 0 -0.447 1.1430 10.0276 22.1322
   OP5 O22 O O 0 -0.470 0.0156 10.0134 24.1051
   OP5 C31 C CH1 0 -0.444 3.5157 2.0354 22.7794
   OP5 O32 O O2 0 -0.463 0.0558 7.6420 21.6529
   OP5 O33 O O 0 -0.437 -1.5400 8.4423 20.3003
   OP5 C34 C CH2 0 -0.455 1.2734 10.6140 19.3177
   OP5 C35 C C 0 0.440 2.2040 2.8021 22.9027
   OP5 C36 C CH2 0 -0.550 3.8263 1.2389 24.0368
   OP5 C37 C CH1 0 -0.006 -0.4528 6.2897 21.5397
   OP5 C38 C CH2 0 -0.614 1.3646 2.8566 21.6568
   OP5 O39 O O 0 -0.402 1.8764 3.3370 23.9389
   OP5 C40 C C 0 0.398 2.7671 0.2308 24.3987
   OP5 O45 O O 0 -0.398 1.7490 0.1169 23.7526
   OP5 O49 O OH1 0 -0.672 -0.5752 3.5643 20.5320
   OP5 C54 C CH2 0 -0.471 -5.7581 3.9385 23.7272
   OP5 O56 O O2 0 -0.500 -7.2902 7.2922 23.2991
   OP5 O57 O OH1 0 -0.673 -7.9655 4.7226 24.1481
   OP5 H1 H HCH1 0 0.237 5.2990 8.0937 25.3406
   OP5 H2 H HCH1 0 0.209 3.0933 6.0976 24.6610
   OP5 H3 H HCH1 0 0.254 1.3374 5.5352 22.4686
   OP5 H4 H HCH1 0 0.234 -0.3286 3.7741 22.5685
   OP5 H5 H HCH3 0 0.259 2.2047 -1.2395 25.8696
   OP5 H6 H HCH3 0 0.268 3.9120 -1.2726 25.3899
   OP5 H7 H HCH3 0 0.261 3.3429 -0.0013 26.4502
   OP5 H8 H H 0 0.241 -2.9440 5.7654 21.2103
   OP5 H9 H HCH3 0 0.251 -1.7638 6.0491 24.7773
   OP5 H10 H HCH3 0 0.240 -0.1942 5.4557 24.2599
   OP5 H11 H HCH3 0 0.251 -0.5339 7.1751 24.2308
   OP5 H12 H HCH3 0 0.249 1.9857 6.6260 20.3142
   OP5 H13 H HCH3 0 0.244 2.5200 4.9646 20.3519
   OP5 H14 H HCH3 0 0.230 1.0935 5.4007 19.4159
   OP5 H15 H HCH1 0 0.243 -3.6549 5.6697 24.1998
   OP5 H16 H HCH2 0 0.247 -4.6041 7.6146 23.0070
   OP5 H17 H HCH2 0 0.224 -5.2388 6.5619 21.7503
   OP5 H18 H HCH2 0 0.220 -4.6803 4.0124 21.8610
   OP5 H19 H HCH2 0 0.242 -3.7296 3.4176 23.2090
   OP5 H20 H HCH1 0 0.197 -6.0244 6.4629 24.7038
   OP5 H21 H HCH1 0 0.189 -7.0382 4.8938 22.3029
   OP5 H22 H HCH3 0 0.233 -8.0403 9.1432 23.6240
   OP5 H23 H HCH3 0 0.205 -7.1052 8.4972 24.9838
   OP5 H24 H HCH3 0 0.207 -6.2754 9.1036 23.5405
   OP5 H28 H HCH1 0 0.230 4.6271 5.8230 20.3245
   OP5 H29 H HCH3 0 0.232 8.4397 6.4544 24.4416
   OP5 H30 H HCH3 0 0.202 7.9423 7.9404 23.6151
   OP5 H31 H HCH3 0 0.208 7.3959 7.6139 25.2690
   OP5 H35 H HCH2 0 0.226 6.7619 4.4418 20.4661
   OP5 H36 H HCH2 0 0.249 6.6858 4.6315 22.2066
   OP5 H37 H HCH3 0 0.226 5.8862 7.9815 20.4509
   OP5 H38 H HCH3 0 0.226 7.2218 7.1359 21.2347
   OP5 H39 H HCH3 0 0.230 6.7487 6.7046 19.5979
   OP5 H40 H HCH1 0 0.320 -0.8763 10.4246 22.0022
   OP5 H41 H HCH2 0 0.265 2.4655 8.8092 21.0753
   OP5 H42 H HCH2 0 0.275 3.2360 10.0094 22.0816
   OP5 H43 H H 0 0.239 4.9202 3.5884 23.4262
   OP5 H44 H HCH3 0 0.239 4.0502 2.0335 20.0799
   OP5 H45 H HCH3 0 0.243 4.3306 3.6176 19.3636
   OP5 H46 H HCH3 0 0.250 5.6608 2.4968 19.5392
   OP5 H47 H HCH2 0 0.250 0.0349 11.9341 20.4677
   OP5 H48 H HCH2 0 0.260 -0.8829 10.7785 19.5262
   OP5 H49 H HCH2 0 0.249 3.4129 10.5337 19.6684
   OP5 H50 H HCH2 0 0.232 2.5793 11.8090 20.5473
   OP5 H51 H HCH1 0 0.214 5.7821 8.1353 22.9343
   OP5 H52 H HCH2 0 0.252 2.2919 6.5440 26.9256
   OP5 H53 H HCH2 0 0.234 3.6404 7.6209 27.2465
   OP5 H54 H HCH2 0 0.250 3.8233 7.1289 22.0066
   OP5 H55 H HCH2 0 0.245 4.0844 5.6016 22.7888
   OP5 H56 H HCH1 0 0.263 1.4063 7.9947 25.2123
   OP5 H57 H HOH1 0 0.456 4.2994 10.7564 25.5950
   OP5 H58 H HCH1 0 0.280 3.4389 1.3576 21.9267
   OP5 H59 H HCH2 0 0.250 1.3256 11.2946 18.4666
   OP5 H60 H HCH2 0 0.228 1.2426 9.5992 18.9065
   OP5 H61 H HCH2 0 0.289 4.7784 0.7115 23.9204
   OP5 H62 H HCH2 0 0.280 3.9751 1.9014 24.8953
   OP5 H63 H HCH1 0 0.256 -0.9467 6.1920 20.5704
   OP5 H64 H HCH2 0 0.296 0.9228 1.8560 21.5766
   OP5 H65 H HCH2 0 0.277 2.0101 2.9466 20.7804
   OP5 H66 H HOH1 0 0.452 -1.4762 3.8409 20.7257
   OP5 H67 H HCH2 0 0.242 -6.1523 2.9377 23.5355
   OP5 H68 H HCH2 0 0.222 -5.5376 3.9946 24.7987
   OP5 H69 H HOH1 0 0.440 -8.5922 5.4340 23.9776
   OP5 C41 C C 0 0.067 -1.4672 6.0752 22.6353
   OP5 C11 C CH3 0 -0.422 4.1266 4.5433 26.5241
   OP5 C16 C CH3 0 -0.657 1.3492 9.1019 27.0438
   OP5 C58 C CH3 0 -0.402 -7.1591 8.5605 23.8908
   OP5 C15 C CH3 0 -0.406 7.6131 7.1502 24.3010
   OP5 H25 H HCH3 0 0.232 4.9186 3.8143 26.6959
   OP5 H26 H HCH3 0 0.210 3.6903 4.8023 27.4943
   OP5 H27 H HCH3 0 0.213 3.3498 4.0694 25.9163
   OP5 H32 H HCH3 0 0.234 0.6539 8.3941 27.4964
   OP5 H33 H HCH3 0 0.228 2.0135 9.4619 27.8288
   OP5 H34 H HCH3 0 0.235 0.7626 9.9459 26.6820

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
   OP5 C34 C30 single 1.521 0.020 1.521
   OP5 C34 C29 single 1.520 0.020 1.520
   OP5 O49 C43 single 1.417 0.020 1.417
   OP5 C30 C25 single 1.517 0.020 1.517
   OP5 C29 C24 single 1.531 0.020 1.531
   OP5 C48 C42 single 1.526 0.020 1.526
   OP5 C27 C23 single 1.499 0.020 1.499
   OP5 O33 C28 double 1.204 0.020 1.204
   OP5 C20 C14 single 1.526 0.020 1.526
   OP5 C43 C38 single 1.521 0.020 1.521
   OP5 C43 C42 single 1.543 0.020 1.543
   OP5 C38 C35 single 1.503 0.020 1.503
   OP5 C28 C24 single 1.524 0.020 1.524
   OP5 C28 O32 single 1.321 0.020 1.321
   OP5 C42 C37 single 1.531 0.020 1.531
   OP5 C25 N21 single 1.459 0.020 1.459
   OP5 C24 N21 single 1.452 0.020 1.452
   OP5 C37 O32 single 1.449 0.020 1.449
   OP5 C37 C41 single 1.508 0.020 1.508
   OP5 C14 C19 single 1.544 0.020 1.544
   OP5 C14 C8 single 1.538 0.020 1.538
   OP5 C23 C19 single 1.508 0.020 1.508
   OP5 C23 C26 double 1.337 0.020 1.337
   OP5 N21 C17 single 1.338 0.020 1.338
   OP5 C46 C41 double 1.335 0.020 1.335
   OP5 C46 C50 single 1.494 0.020 1.494
   OP5 O45 C40 double 1.211 0.020 1.211
   OP5 C35 C31 single 1.524 0.020 1.524
   OP5 C35 O39 double 1.211 0.020 1.211
   OP5 C41 C47 single 1.500 0.020 1.500
   OP5 C31 C26 single 1.507 0.020 1.507
   OP5 C31 C36 single 1.521 0.020 1.521
   OP5 C8 C4 single 1.524 0.020 1.524
   OP5 C52 C50 single 1.532 0.020 1.532
   OP5 C52 C54 single 1.524 0.020 1.524
   OP5 C17 O22 double 1.222 0.020 1.222
   OP5 C17 C12 single 1.523 0.020 1.523
   OP5 C51 C50 single 1.533 0.020 1.533
   OP5 C51 C53 single 1.524 0.020 1.524
   OP5 C4 O9 single 1.407 0.020 1.407
   OP5 C4 C1 single 1.541 0.020 1.541
   OP5 C40 C36 single 1.506 0.020 1.506
   OP5 C40 C44 single 1.502 0.020 1.502
   OP5 O18 C12 double 1.204 0.020 1.204
   OP5 C55 C54 single 1.520 0.020 1.520
   OP5 C55 C53 single 1.525 0.020 1.525
   OP5 C55 O57 single 1.409 0.020 1.409
   OP5 C12 C7 single 1.543 0.020 1.543
   OP5 O3 C1 single 1.424 0.020 1.424
   OP5 O3 C7 single 1.407 0.020 1.407
   OP5 O56 C53 single 1.413 0.020 1.413
   OP5 O56 C58 single 1.406 0.020 1.406
   OP5 O9 C15 single 1.404 0.020 1.404
   OP5 C1 C2 single 1.529 0.020 1.529
   OP5 C7 C10 single 1.529 0.020 1.529
   OP5 C7 O13 single 1.377 0.020 1.377
   OP5 C2 O6 single 1.406 0.020 1.406
   OP5 C2 C5 single 1.530 0.020 1.530
   OP5 C10 C5 single 1.530 0.020 1.530
   OP5 C10 C16 single 1.522 0.020 1.522
   OP5 O6 C11 single 1.407 0.020 1.407
   OP5 C1 H1 single 0.970 0.020 1.090
   OP5 C2 H2 single 0.970 0.020 1.090
   OP5 C42 H3 single 0.970 0.020 1.090
   OP5 C43 H4 single 0.970 0.020 1.090
   OP5 C44 H5 single 0.970 0.020 1.090
   OP5 C44 H6 single 0.970 0.020 1.090
   OP5 C44 H7 single 0.970 0.020 1.090
   OP5 C46 H8 single 0.930 0.020 1.080
   OP5 C47 H9 single 0.970 0.020 1.090
   OP5 C47 H10 single 0.970 0.020 1.090
   OP5 C47 H11 single 0.970 0.020 1.090
   OP5 C48 H12 single 0.970 0.020 1.090
   OP5 C48 H13 single 0.970 0.020 1.090
   OP5 C48 H14 single 0.970 0.020 1.090
   OP5 C50 H15 single 0.970 0.020 1.090
   OP5 C51 H16 single 0.970 0.020 1.090
   OP5 C51 H17 single 0.970 0.020 1.090
   OP5 C52 H18 single 0.970 0.020 1.090
   OP5 C52 H19 single 0.970 0.020 1.090
   OP5 C53 H20 single 0.970 0.020 1.090
   OP5 C55 H21 single 0.970 0.020 1.090
   OP5 C58 H22 single 0.970 0.020 1.090
   OP5 C58 H23 single 0.970 0.020 1.090
   OP5 C58 H24 single 0.970 0.020 1.090
   OP5 C11 H25 single 0.970 0.020 1.090
   OP5 C11 H26 single 0.970 0.020 1.090
   OP5 C11 H27 single 0.970 0.020 1.090
   OP5 C14 H28 single 0.970 0.020 1.090
   OP5 C15 H29 single 0.970 0.020 1.090
   OP5 C15 H30 single 0.970 0.020 1.090
   OP5 C15 H31 single 0.970 0.020 1.090
   OP5 C16 H32 single 0.970 0.020 1.090
   OP5 C16 H33 single 0.970 0.020 1.090
   OP5 C16 H34 single 0.970 0.020 1.090
   OP5 C19 H35 single 0.970 0.020 1.090
   OP5 C19 H36 single 0.970 0.020 1.090
   OP5 C20 H37 single 0.970 0.020 1.090
   OP5 C20 H38 single 0.970 0.020 1.090
   OP5 C20 H39 single 0.970 0.020 1.090
   OP5 C24 H40 single 0.970 0.020 1.090
   OP5 C25 H41 single 0.970 0.020 1.090
   OP5 C25 H42 single 0.970 0.020 1.090
   OP5 C26 H43 single 0.930 0.020 1.080
   OP5 C27 H44 single 0.970 0.020 1.090
   OP5 C27 H45 single 0.970 0.020 1.090
   OP5 C27 H46 single 0.970 0.020 1.090
   OP5 C29 H47 single 0.970 0.020 1.090
   OP5 C29 H48 single 0.970 0.020 1.090
   OP5 C30 H49 single 0.970 0.020 1.090
   OP5 C30 H50 single 0.970 0.020 1.090
   OP5 C4 H51 single 0.970 0.020 1.090
   OP5 C5 H52 single 0.970 0.020 1.090
   OP5 C5 H53 single 0.970 0.020 1.090
   OP5 C8 H54 single 0.970 0.020 1.090
   OP5 C8 H55 single 0.970 0.020 1.090
   OP5 C10 H56 single 0.970 0.020 1.090
   OP5 O13 H57 single 0.850 0.020 0.980
   OP5 C31 H58 single 0.970 0.020 1.090
   OP5 C34 H59 single 0.970 0.020 1.090
   OP5 C34 H60 single 0.970 0.020 1.090
   OP5 C36 H61 single 0.970 0.020 1.090
   OP5 C36 H62 single 0.970 0.020 1.090
   OP5 C37 H63 single 0.970 0.020 1.090
   OP5 C38 H64 single 0.970 0.020 1.090
   OP5 C38 H65 single 0.970 0.020 1.090
   OP5 O49 H66 single 0.850 0.020 0.980
   OP5 C54 H67 single 0.970 0.020 1.090
   OP5 C54 H68 single 0.970 0.020 1.090
   OP5 O57 H69 single 0.850 0.020 0.980

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   OP5 H1 C1 C4 107.58 3.000
   OP5 H1 C1 O3 108.97 3.000
   OP5 C4 C1 O3 105.71 3.000
   OP5 H1 C1 C2 107.44 3.000
   OP5 O3 C1 C2 109.06 3.000
   OP5 C4 C1 C2 117.85 3.000
   OP5 H2 C2 O6 110.28 3.000
   OP5 H2 C2 C5 108.17 3.000
   OP5 O6 C2 C5 112.68 3.000
   OP5 H2 C2 C1 109.51 3.000
   OP5 C5 C2 C1 108.99 3.000
   OP5 O6 C2 C1 107.16 3.000
   OP5 C7 O3 C1 115.41 3.000
   OP5 H3 C42 C37 108.99 3.000
   OP5 H3 C42 C48 108.75 3.000
   OP5 C37 C42 C48 109.81 3.000
   OP5 H3 C42 C43 107.42 3.000
   OP5 C37 C42 C43 109.09 3.000
   OP5 C48 C42 C43 112.69 3.000
   OP5 H4 C43 O49 109.62 3.000
   OP5 H4 C43 C38 107.87 3.000
   OP5 O49 C43 C38 106.26 3.000
   OP5 H4 C43 C42 108.11 3.000
   OP5 C38 C43 C42 113.49 3.000
   OP5 O49 C43 C42 111.40 3.000
   OP5 H7 C44 H6 106.59 3.000
   OP5 H7 C44 H5 109.50 3.000
   OP5 H6 C44 H5 108.91 3.000
   OP5 H7 C44 C40 110.48 3.000
   OP5 H6 C44 C40 109.65 3.000
   OP5 H5 C44 C40 111.57 3.000
   OP5 H8 C46 C50 113.60 3.000
   OP5 H8 C46 C41 117.35 3.000
   OP5 C50 C46 C41 129.04 3.000
   OP5 H11 C47 H10 106.77 3.000
   OP5 H11 C47 H9 107.31 3.000
   OP5 H10 C47 H9 107.32 3.000
   OP5 H11 C47 C41 111.24 3.000
   OP5 H10 C47 C41 111.48 3.000
   OP5 H9 C47 C41 112.43 3.000
   OP5 H14 C48 H13 107.74 3.000
   OP5 H14 C48 H12 107.82 3.000
   OP5 H13 C48 H12 106.46 3.000
   OP5 H14 C48 C42 111.43 3.000
   OP5 H13 C48 C42 111.66 3.000
   OP5 H12 C48 C42 111.49 3.000
   OP5 H15 C50 C52 107.90 3.000
   OP5 H15 C50 C51 108.23 3.000
   OP5 C52 C50 C51 109.85 3.000
   OP5 H15 C50 C46 110.56 3.000
   OP5 C51 C50 C46 109.38 3.000
   OP5 C52 C50 C46 110.87 3.000
   OP5 H17 C51 H16 106.85 3.000
   OP5 H17 C51 C53 109.16 3.000
   OP5 H16 C51 C53 110.36 3.000
   OP5 H17 C51 C50 109.26 3.000
   OP5 H16 C51 C50 109.55 3.000
   OP5 C53 C51 C50 111.54 3.000
   OP5 H19 C52 H18 106.53 3.000
   OP5 H19 C52 C54 110.04 3.000
   OP5 H18 C52 C54 109.74 3.000
   OP5 H19 C52 C50 109.79 3.000
   OP5 H18 C52 C50 109.09 3.000
   OP5 C54 C52 C50 111.51 3.000
   OP5 H20 C53 O56 109.67 3.000
   OP5 H20 C53 C55 107.99 3.000
   OP5 O56 C53 C55 107.18 3.000
   OP5 H20 C53 C51 108.96 3.000
   OP5 O56 C53 C51 112.30 3.000
   OP5 C55 C53 C51 110.64 3.000
   OP5 H21 C55 O57 110.58 3.000
   OP5 H21 C55 C54 108.26 3.000
   OP5 O57 C55 C54 108.64 3.000
   OP5 H21 C55 C53 107.64 3.000
   OP5 O57 C55 C53 111.73 3.000
   OP5 C54 C55 C53 109.93 3.000
   OP5 O18 C12 C7 120.48 3.000
   OP5 C7 C12 C17 121.77 3.000
   OP5 O18 C12 C17 117.63 3.000
   OP5 H28 C14 C8 105.69 3.000
   OP5 H28 C14 C20 106.56 3.000
   OP5 C8 C14 C20 112.97 3.000
   OP5 H28 C14 C19 106.58 3.000
   OP5 C8 C14 C19 113.51 3.000
   OP5 C20 C14 C19 110.92 3.000
   OP5 O22 C17 N21 125.09 3.000
   OP5 O22 C17 C12 114.96 3.000
   OP5 N21 C17 C12 119.42 3.000
   OP5 H36 C19 H35 106.78 3.000
   OP5 H36 C19 C23 110.64 3.000
   OP5 H35 C19 C23 108.79 3.000
   OP5 H36 C19 C14 109.63 3.000
   OP5 H35 C19 C14 108.25 3.000
   OP5 C23 C19 C14 112.56 3.000
   OP5 H39 C20 H38 107.31 3.000
   OP5 H39 C20 H37 107.56 3.000
   OP5 H38 C20 H37 107.86 3.000
   OP5 H39 C20 C14 110.47 3.000
   OP5 H38 C20 C14 112.03 3.000
   OP5 H37 C20 C14 111.41 3.000
   OP5 C27 C23 C26 125.05 3.000
   OP5 C26 C23 C19 120.16 3.000
   OP5 C27 C23 C19 114.77 3.000
   OP5 H40 C24 N21 107.37 3.000
   OP5 H40 C24 C29 107.32 3.000
   OP5 N21 C24 C29 110.92 3.000
   OP5 H40 C24 C28 104.03 3.000
   OP5 N21 C24 C28 114.39 3.000
   OP5 C29 C24 C28 112.22 3.000
   OP5 H42 C25 H41 106.33 3.000
   OP5 H42 C25 N21 109.78 3.000
   OP5 H41 C25 N21 108.72 3.000
   OP5 H42 C25 C30 110.46 3.000
   OP5 H41 C25 C30 109.47 3.000
   OP5 N21 C25 C30 111.90 3.000
   OP5 H43 C26 C31 114.26 3.000
   OP5 H43 C26 C23 117.62 3.000
   OP5 C31 C26 C23 128.06 3.000
   OP5 H46 C27 H45 106.23 3.000
   OP5 H46 C27 H44 107.74 3.000
   OP5 H45 C27 H44 107.68 3.000
   OP5 H46 C27 C23 109.93 3.000
   OP5 H45 C27 C23 110.71 3.000
   OP5 H44 C27 C23 114.19 3.000
   OP5 O33 C28 O32 124.91 3.000
   OP5 O32 C28 C24 113.71 3.000
   OP5 O33 C28 C24 121.31 3.000
   OP5 H48 C29 H47 106.71 3.000
   OP5 H48 C29 C34 111.66 3.000
   OP5 H47 C29 C34 109.24 3.000
   OP5 H48 C29 C24 108.97 3.000
   OP5 H47 C29 C24 107.56 3.000
   OP5 C34 C29 C24 112.45 3.000
   OP5 H50 C30 H49 107.23 3.000
   OP5 H50 C30 C34 109.97 3.000
   OP5 H49 C30 C34 111.24 3.000
   OP5 H50 C30 C25 109.72 3.000
   OP5 H49 C30 C25 108.24 3.000
   OP5 C34 C30 C25 110.37 3.000
   OP5 H51 C4 O9 109.03 3.000
   OP5 H51 C4 C8 107.68 3.000
   OP5 O9 C4 C8 109.70 3.000
   OP5 H51 C4 C1 105.02 3.000
   OP5 O9 C4 C1 111.21 3.000
   OP5 C8 C4 C1 113.95 3.000
   OP5 H53 C5 H52 106.71 3.000
   OP5 H53 C5 C10 110.19 3.000
   OP5 H52 C5 C10 107.69 3.000
   OP5 H53 C5 C2 109.33 3.000
   OP5 H52 C5 C2 110.31 3.000
   OP5 C10 C5 C2 112.44 3.000
   OP5 C11 O6 C2 115.11 3.000
   OP5 O13 C7 C10 108.53 3.000
   OP5 O13 C7 C12 109.42 3.000
   OP5 C10 C7 C12 115.36 3.000
   OP5 O13 C7 O3 112.75 3.000
   OP5 C10 C7 O3 109.78 3.000
   OP5 C12 C7 O3 100.95 3.000
   OP5 H55 C8 H54 105.16 3.000
   OP5 H55 C8 C4 111.05 3.000
   OP5 H54 C8 C4 106.97 3.000
   OP5 H55 C8 C14 108.95 3.000
   OP5 H54 C8 C14 107.84 3.000
   OP5 C4 C8 C14 116.22 3.000
   OP5 C4 O9 C15 115.04 3.000
   OP5 H56 C10 C7 107.14 3.000
   OP5 H56 C10 C5 107.21 3.000
   OP5 C7 C10 C5 108.81 3.000
   OP5 H56 C10 C16 108.71 3.000
   OP5 C5 C10 C16 111.20 3.000
   OP5 C7 C10 C16 113.51 3.000
   OP5 H57 O13 C7 110.19 3.000
   OP5 C25 N21 C24 117.88 3.000
   OP5 C24 N21 C17 118.05 3.000
   OP5 C25 N21 C17 123.72 3.000
   OP5 H58 C31 C36 109.57 3.000
   OP5 H58 C31 C35 108.35 3.000
   OP5 C36 C31 C35 111.86 3.000
   OP5 H58 C31 C26 110.38 3.000
   OP5 C36 C31 C26 110.68 3.000
   OP5 C35 C31 C26 105.93 3.000
   OP5 C37 O32 C28 118.16 3.000
   OP5 H60 C34 H59 106.64 3.000
   OP5 H60 C34 C30 109.82 3.000
   OP5 H59 C34 C30 110.72 3.000
   OP5 H60 C34 C29 110.40 3.000
   OP5 H59 C34 C29 109.82 3.000
   OP5 C30 C34 C29 109.40 3.000
   OP5 O39 C35 C38 122.82 3.000
   OP5 O39 C35 C31 121.60 3.000
   OP5 C38 C35 C31 115.58 3.000
   OP5 H62 C36 H61 104.88 3.000
   OP5 H62 C36 C40 108.19 3.000
   OP5 H61 C36 C40 108.34 3.000
   OP5 H62 C36 C31 111.06 3.000
   OP5 H61 C36 C31 110.01 3.000
   OP5 C40 C36 C31 113.93 3.000
   OP5 H63 C37 O32 108.15 3.000
   OP5 H63 C37 C42 108.29 3.000
   OP5 O32 C37 C42 107.46 3.000
   OP5 H63 C37 C41 109.13 3.000
   OP5 O32 C37 C41 108.18 3.000
   OP5 C42 C37 C41 115.41 3.000
   OP5 H65 C38 H64 104.75 3.000
   OP5 H65 C38 C35 109.75 3.000
   OP5 H64 C38 C35 104.62 3.000
   OP5 H65 C38 C43 111.77 3.000
   OP5 H64 C38 C43 108.70 3.000
   OP5 C35 C38 C43 116.36 3.000
   OP5 O45 C40 C36 121.72 3.000
   OP5 C36 C40 C44 115.83 3.000
   OP5 O45 C40 C44 122.45 3.000
   OP5 H66 O49 C43 108.61 3.000
   OP5 H68 C54 H67 106.93 3.000
   OP5 H68 C54 C55 109.16 3.000
   OP5 H67 C54 C55 109.59 3.000
   OP5 H68 C54 C52 109.67 3.000
   OP5 H67 C54 C52 110.10 3.000
   OP5 C55 C54 C52 111.28 3.000
   OP5 C58 O56 C53 114.67 3.000
   OP5 H69 O57 C55 107.61 3.000
   OP5 C37 C41 C47 116.74 3.000
   OP5 C47 C41 C46 125.40 3.000
   OP5 C37 C41 C46 117.86 3.000
   OP5 H27 C11 H26 108.17 3.000
   OP5 H27 C11 H25 108.28 3.000
   OP5 H26 C11 H25 107.94 3.000
   OP5 H27 C11 O6 111.97 3.000
   OP5 H26 C11 O6 112.92 3.000
   OP5 H25 C11 O6 107.39 3.000
   OP5 H34 C16 H33 108.15 3.000
   OP5 H34 C16 H32 107.29 3.000
   OP5 H33 C16 H32 107.71 3.000
   OP5 H34 C16 C10 112.07 3.000
   OP5 H33 C16 C10 111.66 3.000
   OP5 H32 C16 C10 109.76 3.000
   OP5 H24 C58 H23 107.93 3.000
   OP5 H24 C58 H22 108.01 3.000
   OP5 H23 C58 H22 108.35 3.000
   OP5 H24 C58 O56 112.84 3.000
   OP5 H23 C58 O56 111.85 3.000
   OP5 H22 C58 O56 107.70 3.000
   OP5 H31 C15 H30 107.89 3.000
   OP5 H31 C15 H29 107.86 3.000
   OP5 H30 C15 H29 108.25 3.000
   OP5 H31 C15 O9 113.20 3.000
   OP5 H30 C15 O9 111.86 3.000
   OP5 H29 C15 O9 107.60 3.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   OP5 CONST_01 C24 N21 C17 C12 180.00 0.0 0
   OP5 CONST_02 O22 C17 N21 C24 0.00 0.0 0
   OP5 CONST_03 O22 C17 N21 C25 180.00 0.0 0
   OP5 Var_01 C31 C26 C23 C19 174.73 0.0 0
   OP5 Var_02 C31 C35 C38 C43 -165.14 30.0 1
   OP5 Var_03 C55 C54 C52 C50 56.67 30.0 1
   OP5 Var_04 C26 C23 C19 C14 -89.99 30.0 1
   OP5 Var_05 C30 C25 N21 C17 -136.83 30.0 3
   OP5 Var_06 C30 C34 C29 C24 -56.29 30.0 1
   OP5 Var_07 C29 C34 C30 C25 57.35 30.0 1
   OP5 Var_08 N21 C17 C12 C7 -108.62 30.0 1
   OP5 Var_09 C34 C30 C25 N21 -53.50 30.0 1
   OP5 Var_10 C37 C41 C46 C50 -179.13 0.0 2
   OP5 Var_11 H44 C27 C23 C19 179.83 30.0 3
   OP5 Var_12 C31 C36 C40 C44 177.37 30.0 3
   OP5 Var_13 H25 C11 O6 C2 169.36 30.0 3
   OP5 Var_14 H22 C58 O56 C53 -175.72 30.0 3
   OP5 Var_15 H29 C15 O9 C4 -173.08 30.0 3
   OP5 Var_16 H9 C47 C41 C37 178.63 30.0 3
   OP5 Var_17 H5 C44 C40 C36 173.18 30.0 3
   OP5 Var_18 C14 C8 C4 C1 -179.45 30.0 3
   OP5 Var_19 C12 C7 O3 C1 175.22 30.0 1
   OP5 Var_20 C10 C7 O3 C1 -62.56 30.0 1
   OP5 Var_21 C10 C5 C2 C1 53.05 30.0 1
   OP5 Var_22 C8 C4 C1 C2 53.61 30.0 3
   OP5 Var_23 C7 O3 C1 C2 62.64 30.0 1
   OP5 Var_24 C7 C10 C5 C2 -52.49 30.0 1
   OP5 Var_25 C8 C4 C1 O3 -68.55 30.0 3
   OP5 Var_26 C5 C2 C1 O3 -54.85 30.0 1
   OP5 Var_27 C17 C12 C7 O3 76.39 30.0 3
   OP5 Var_28 C5 C10 C7 O3 54.47 30.0 1
   OP5 Var_29 C35 C38 C43 C42 69.80 30.0 3
   OP5 Var_30 C28 O32 C37 C42 147.02 30.0 3
   OP5 Var_31 O32 C37 C42 C43 172.28 30.0 3
   OP5 Var_32 C55 C53 C51 C50 -57.56 30.0 1
   OP5 Var_33 C54 C52 C50 C51 -54.84 30.0 1
   OP5 Var_34 C54 C55 C53 C51 57.65 30.0 1
   OP5 Var_35 C53 C51 C50 C52 55.51 30.0 1
   OP5 Var_36 C53 C55 C54 C52 -57.37 30.0 1
   OP5 Var_37 C5 C10 C7 C12 167.66 30.0 1
   OP5 Var_38 C29 C24 N21 C17 139.05 30.0 1
   OP5 Var_39 C28 C24 N21 C17 -92.80 30.0 1
   OP5 Var_40 C10 C7 C12 C17 -41.84 30.0 3
   OP5 Var_41 C4 C8 C14 C19 85.07 30.0 3
   OP5 Var_42 C8 C14 C19 C23 71.41 30.0 3
   OP5 Var_43 C35 C31 C26 C23 -96.89 30.0 3
   OP5 Var_44 C37 O32 C28 C24 172.14 30.0 3
   OP5 Var_45 C29 C24 N21 C25 -47.44 30.0 1
   OP5 Var_46 C28 C24 N21 C25 80.70 30.0 1
   OP5 Var_47 C38 C35 C31 C26 97.54 30.0 3
   OP5 Var_48 C34 C29 C24 C28 -79.31 30.0 1
   OP5 Var_49 O32 C28 C24 C29 137.03 30.0 3
   OP5 Var_50 C7 O3 C1 C4 -169.74 30.0 1
   OP5 Var_51 C5 C2 C1 C4 -175.28 30.0 1
   OP5 Var_52 C34 C29 C24 N21 50.00 30.0 1
   OP5 Var_53 O32 C28 C24 N21 9.54 30.0 3
   OP5 Var_54 C38 C43 C42 C37 179.44 30.0 3
   OP5 Var_55 O13 C7 O3 C1 58.58 30.0 1
   OP5 Var_56 O9 C4 C1 C2 -71.01 30.0 3
   OP5 Var_57 C16 C10 C5 C2 -178.23 30.0 1
   OP5 Var_58 O9 C4 C1 O3 166.84 30.0 3
   OP5 Var_59 O6 C2 C1 O3 -177.06 30.0 1
   OP5 Var_60 O18 C12 C7 O3 -107.72 30.0 3
   OP5 Var_61 C16 C10 C7 O3 178.86 30.0 1
   OP5 Var_62 C41 C37 C42 C43 51.52 30.0 3
   OP5 Var_63 C54 C52 C50 C46 -175.85 30.0 1
   OP5 Var_64 C53 C51 C50 C46 177.41 30.0 1
   OP5 Var_65 C38 C43 C42 C48 57.19 30.0 3
   OP5 Var_66 O32 C37 C42 C48 -63.76 30.0 3
   OP5 Var_67 O56 C53 C51 C50 -177.27 30.0 1
   OP5 Var_68 O57 C55 C53 C51 178.36 30.0 1
   OP5 Var_69 O57 C55 C54 C52 -179.92 30.0 1
   OP5 Var_70 C16 C10 C7 C12 -67.95 30.0 1
   OP5 Var_71 O9 C4 C8 C14 -54.04 30.0 3
   OP5 Var_72 O13 C7 C12 C17 -164.54 30.0 3
   OP5 Var_73 C23 C19 C14 C20 -160.13 30.0 3
   OP5 Var_74 C4 C8 C14 C20 -42.33 30.0 3
   OP5 Var_75 C36 C31 C26 C23 141.67 30.0 3
   OP5 Var_76 O39 C35 C31 C26 -81.88 30.0 3
   OP5 Var_77 C41 C37 O32 C28 -87.76 30.0 3
   OP5 Var_78 O33 C28 C24 C29 -45.77 30.0 3
   OP5 Var_79 O6 C2 C1 C4 62.51 30.0 1
   OP5 Var_80 O13 C7 C10 C5 -69.17 30.0 1
   OP5 Var_81 C10 C5 C2 O6 171.87 30.0 1
   OP5 Var_82 O18 C12 C7 C10 134.05 30.0 3
   OP5 Var_83 O33 C28 C24 N21 -173.25 30.0 3
   OP5 Var_84 C37 O32 C28 O33 -4.94 30.0 3
   OP5 Var_85 O49 C43 C38 C35 -167.44 30.0 3
   OP5 Var_86 C38 C35 C31 C36 -141.78 30.0 3
   OP5 Var_87 O49 C43 C42 C37 59.56 30.0 3
   OP5 Var_88 O56 C53 C55 C54 -179.60 30.0 1
   OP5 Var_89 H54 C8 C4 C1 60.07 30.0 3
   OP5 Var_90 H55 C8 C4 C1 -54.17 30.0 3
   OP5 Var_91 H52 C5 C2 C1 173.27 30.0 1
   OP5 Var_92 H53 C5 C2 C1 -69.68 30.0 1
   OP5 Var_93 H51 C4 C1 C2 171.20 30.0 3
   OP5 Var_94 H56 C10 C5 C2 63.06 30.0 1
   OP5 Var_95 H2 C2 C1 O3 63.31 30.0 1
   OP5 Var_96 H64 C38 C43 C42 -172.49 30.0 3
   OP5 Var_97 H65 C38 C43 C42 -57.36 30.0 3
   OP5 Var_98 H63 C37 C42 C43 -71.11 30.0 3
   OP5 Var_99 H20 C53 C51 C50 61.02 30.0 1
   OP5 Var_100 H18 C52 C50 C51 66.52 30.0 1
   OP5 Var_101 H19 C52 C50 C51 -177.08 30.0 1
   OP5 Var_102 H21 C55 C53 C51 -60.06 30.0 1
   OP5 Var_103 H16 C51 C50 C52 177.99 30.0 1
   OP5 Var_104 H17 C51 C50 C52 -65.28 30.0 1
   OP5 Var_105 H15 C50 C51 C53 -62.07 30.0 1
   OP5 Var_106 H40 C24 N21 C17 22.08 30.0 1
   OP5 Var_107 H28 C14 C19 C23 -44.52 30.0 3
   OP5 Var_108 H58 C31 C26 C23 20.19 30.0 3
   OP5 Var_109 H47 C29 C24 C28 160.38 30.0 1
   OP5 Var_110 H48 C29 C24 C28 45.07 30.0 1
   OP5 Var_111 H1 C1 C2 C5 63.12 30.0 1
   OP5 Var_112 H3 C42 C37 O32 55.27 30.0 3
   OP5 Var_113 H4 C43 C38 C35 -49.96 30.0 3
   OP5 Var_114 C15 O9 C4 C1 -77.20 30.0 3
   OP5 Var_115 C11 O6 C2 C1 -176.37 30.0 3
   OP5 Var_116 C46 C41 C37 C42 -121.66 30.0 3
   OP5 Var_117 C47 C41 C37 C42 58.72 30.0 3
   OP5 Var_118 O32 C37 C41 C46 117.97 30.0 1
   OP5 Var_119 O32 C37 C41 C47 -61.65 30.0 1
   OP5 Var_120 O49 C43 C42 C48 -62.69 30.0 3
   OP5 Var_121 C41 C37 C42 C48 175.47 30.0 3
   OP5 Var_122 C41 C46 C50 C51 120.53 30.0 1
   OP5 Var_123 C58 O56 C53 C51 -79.70 30.0 2
   OP5 Var_124 C41 C46 C50 C52 -118.19 30.0 1
   OP5 Var_125 C58 O56 C53 C55 158.60 30.0 2
   OP5 Var_126 C40 C36 C31 C26 176.71 30.0 3
   OP5 Var_127 C11 O6 C2 C5 63.76 30.0 3
   OP5 Var_128 C15 O9 C4 C8 155.84 30.0 3
   OP5 Var_129 O18 C12 C7 O13 11.35 30.0 3
   OP5 Var_130 C16 C10 C7 O13 55.21 30.0 1
   OP5 Var_131 C40 C36 C31 C35 58.84 30.0 3
   OP5 Var_132 O39 C35 C31 C36 38.80 30.0 3
   OP5 Var_133 O57 C55 C53 O56 -58.90 30.0 1
   OP5 Var_134 H57 O13 C7 O3 71.63 30.0 3
   OP5 Var_135 H66 O49 C43 C42 -85.38 30.0 3
   OP5 Var_136 H12 C48 C42 C43 -179.41 30.0 3
   OP5 Var_137 H13 C48 C42 C43 -60.46 30.0 3
   OP5 Var_138 H14 C48 C42 C43 60.07 30.0 3
   OP5 Var_139 H8 C46 C50 C51 -58.17 30.0 1
   OP5 Var_140 H69 O57 C55 C53 53.41 30.0 3
   OP5 Var_141 H37 C20 C14 C19 -178.68 30.0 3
   OP5 Var_142 H38 C20 C14 C19 -57.76 30.0 3
   OP5 Var_143 H39 C20 C14 C19 61.83 30.0 3
   OP5 Var_144 H61 C36 C31 C26 -61.42 30.0 3
   OP5 Var_145 H62 C36 C31 C26 54.24 30.0 3
   OP5 Var_146 H32 C16 C10 C5 -62.53 30.0 3
   OP5 Var_147 H33 C16 C10 C5 56.85 30.0 3
   OP5 Var_148 H34 C16 C10 C5 178.36 30.0 3

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
   OP5 chir_01 C1 C4 O3 C2 negativ
   OP5 chir_02 C2 O6 C5 C1 negativ
   OP5 chir_03 C42 C48 C43 C37 positiv
   OP5 chir_04 C43 O49 C42 C38 positiv
   OP5 chir_05 C50 C46 C52 C51 positiv
   OP5 chir_06 C53 O56 C51 C55 positiv
   OP5 chir_07 C55 O57 C53 C54 negativ
   OP5 chir_08 C14 C20 C19 C8 negativ
   OP5 chir_09 C24 C29 C28 N21 negativ
   OP5 chir_10 C4 C8 O9 C1 positiv
   OP5 chir_11 C7 O3 C12 C10 negativ
   OP5 chir_12 C10 C7 C5 C16 negativ
   OP5 chir_13 C31 C35 C26 C36 negativ
   OP5 chir_14 C37 O32 C41 C42 positiv

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   OP5 plan-1 C12 0.020
   OP5 plan-1 C17 0.020
   OP5 plan-1 C24 0.020
   OP5 plan-1 C25 0.020
   OP5 plan-1 N21 0.020
   OP5 plan-1 O22 0.020
   OP5 plan-2 C12 0.020
   OP5 plan-2 C17 0.020
   OP5 plan-2 C7 0.020
   OP5 plan-2 O18 0.020
   OP5 plan-3 C31 0.020
   OP5 plan-3 C35 0.020
   OP5 plan-3 C38 0.020
   OP5 plan-3 O39 0.020
   OP5 plan-4 C44 0.020
   OP5 plan-4 C36 0.020
   OP5 plan-4 C40 0.020
   OP5 plan-4 O45 0.020
   OP5 plan-5 C24 0.020
   OP5 plan-5 C28 0.020
   OP5 plan-5 O32 0.020
   OP5 plan-5 O33 0.020
   OP5 plan-6 C19 0.020
   OP5 plan-6 C23 0.020
   OP5 plan-6 C26 0.020
   OP5 plan-6 C27 0.020
   OP5 plan-6 C31 0.020
   OP5 plan-6 H43 0.020
   OP5 plan-7 C46 0.020
   OP5 plan-7 C47 0.020
   OP5 plan-7 C50 0.020
   OP5 plan-7 C37 0.020
   OP5 plan-7 H8 0.020
   OP5 plan-7 C41 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   OP5 plan-1
   OP5 plan-2
   OP5 plan-3
   OP5 plan-4
   OP5 plan-5
   OP5 plan-6
   OP5 plan-7

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   OP5 OP5 (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone ligand 127 58 .

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

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   Cd P n/a O5* START
   Cd O1P P . .
   Cd O2P P . .
   Cd O5* P C5* .
   Cd C5* O5* C4* .
   Cd H5*1 C5* . .
   Cd H5*2 C5* . .
   Cd C4* C5* C3* .
   Cd H4* C4* . .
   Cd O4* C4* C1* .
   Cd C1* O4* C2* .
   Cd H1* C1* . .
   Cd N1 C1* C2 .
   Cd C2 N1 N3 .
   Cd O2 C2 . .
   Cd N3 C2 C4 .
   Cd C4 N3 C5 .
   Cd N4 C4 H42 .
   Cd H41 N4 . .
   Cd H42 N4 . .
   Cd C5 C4 C6 .
   Cd H5 C5 . .
   Cd C6 C5 H6 .
   Cd H6 C6 . .
   Cd C2* C1* H2*2 .
   Cd H2*1 C2* . .
   Cd H2*2 C2* . .
   Cd C3* C4* O3* .
   Cd H3* C3* . .
   Cd O3* C3* . END
   Cd C2* C3* . ADD
   Cd C6 N1 . ADD

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   Cd P O5* coval 1.600 0.020 1.600
   Cd P O1P coval 1.480 0.020 1.480
   Cd P O2P coval 1.480 0.020 1.480
   Cd C1* C2* coval 1.525 0.020 1.525
   Cd C2* C3* coval 1.525 0.020 1.525
   Cd C3* C4* coval 1.523 0.020 1.523
   Cd C3* O3* coval 1.422 0.030 1.422
   Cd C4* C5* coval 1.518 0.020 1.518
   Cd C4* O4* coval 1.450 0.020 1.450
   Cd O4* C1* coval 1.414 0.020 1.414
   Cd C5* O5* coval 1.423 0.030 1.423
   Cd C5* H5*1 coval 0.970 0.020 1.090
   Cd C5* H5*2 coval 0.970 0.020 1.090
   Cd C4* H4* coval 0.970 0.020 1.090
   Cd C1* H1* coval 0.970 0.020 1.090
   Cd C2* H2*1 coval 0.970 0.020 1.090
   Cd C2* H2*2 coval 0.970 0.020 1.090
   Cd C3* H3* coval 0.970 0.020 1.090
   Cd N1 C2 coval 1.399 0.020 1.399
   Cd C2 N3 coval 1.356 0.020 1.356
   Cd N3 C4 coval 1.334 0.020 1.334
   Cd C4 C5 coval 1.426 0.020 1.426
   Cd C5 C6 coval 1.337 0.020 1.337
   Cd C6 N1 coval 1.364 0.020 1.364
   Cd C2 O2 coval 1.237 0.020 1.237
   Cd C4 N4 coval 1.337 0.020 1.337
   Cd N1 C1* coval 1.490 0.030 1.490
   Cd N4 H41 coval 0.860 0.020 1.020
   Cd N4 H42 coval 0.860 0.020 1.020
   Cd C5 H5 coval 0.930 0.020 1.080
   Cd C6 H6 coval 0.930 0.020 1.080

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   Cd C6 N1 C2 120.600 1.500
   Cd C1* N1 C2 119.700 1.500
   Cd C1* N1 C6 119.700 1.500
   Cd N1 C2 N3 118.900 1.500
   Cd C2 N3 C4 120.000 1.500
   Cd N3 C4 C5 121.800 1.500
   Cd C4 C5 C6 117.600 1.500
   Cd C5 C6 N1 121.000 1.500
   Cd N1 C2 O2 119.200 1.500
   Cd N3 C2 O2 121.900 1.500
   Cd N3 C4 N4 117.900 1.500
   Cd C5 C4 N4 120.300 1.500
   Cd N1 C1* O4* 108.400 1.500
   Cd N1 C1* C2* 113.500 1.500
   Cd C4 N4 H41 120.000 1.500
   Cd C4 N4 H42 120.000 1.500
   Cd H41 N4 H42 120.000 1.500
   Cd C4 C5 H5 121.200 1.500
   Cd C6 C5 H5 121.200 1.500
   Cd C5 C6 H6 119.500 1.500
   Cd N1 C6 H6 119.500 1.500
   Cd O4* C1* C2* 106.400 1.500
   Cd C1* C2* C3* 101.600 1.500
   Cd C2* C3* C4* 102.400 1.500
   Cd C2* C3* O3* 111.500 1.500
   Cd O3* C3* C4* 110.000 1.500
   Cd C3* C4* C5* 114.900 1.500
   Cd C3* C4* O4* 105.400 1.500
   Cd O4* C4* C5* 109.400 1.500
   Cd C4* O4* C1* 109.700 1.500
   Cd C4* C5* O5* 110.800 1.500
   Cd C5* O5* P 120.000 1.500
   Cd O5* P O1P 109.000 3.000
   Cd O5* P O2P 108.000 3.000
   Cd O1P P O2P 120.000 3.000
   Cd O5* C5* H5*1 109.000 1.500
   Cd O5* C5* H5*2 109.000 1.500
   Cd C4* C5* H5*1 109.000 1.500
   Cd C4* C5* H5*2 109.000 1.500
   Cd H5*1 C5* H5*2 109.000 1.500
   Cd C5* C4* H4* 109.000 1.500
   Cd O4* C4* H4* 109.000 1.500
   Cd C3* C4* H4* 109.000 1.500
   Cd O4* C1* H1* 109.000 1.500
   Cd C2* C1* H1* 109.000 1.500
   Cd N1 C1* H1* 109.000 1.500
   Cd C1* C2* H2*1 109.000 1.500
   Cd C1* C2* H2*2 109.000 1.500
   Cd H2*1 C2* H2*2 109.000 1.500
   Cd C4* C3* H3* 109.000 1.500
   Cd C3* C2* H2*1 109.000 1.500
   Cd C3* C2* H2*2 109.000 1.500
   Cd C2* C3* H3* 109.000 1.500
   Cd O3* C3* H3* 109.000 1.500

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   Cd beta P O5* C5* C4* 170.000 25.000 3
   Cd gamma O5* C5* C4* C3* 55.000 20.000 3
   Cd delta C5* C4* C3* O3* 88.000 30.000 3
   Cd nu0 C4* O4* C1* C2* 13.000 40.000 3
   Cd nu1 O4* C1* C2* C3* -33.000 40.000 3
   Cd nu4 C5* C4* O4* C1* 137.000 40.000 3
   Cd chi O4* C1* N1 C2 30.000 40.000 2
   Cd CONST_01 C1* N1 C2 N3 180.000 0.000 0
   Cd CONST_02 N1 C2 N3 C4 0.000 0.000 0
   Cd CONST_03 C2 N3 C4 C5 0.000 0.000 0
   Cd hh1 N3 C4 N4 H42 0.000 40.000 2
   Cd CONST_04 N3 C4 C5 C6 0.000 0.000 0
   Cd CONST_05 C4 C5 C6 N1 0.000 0.000 0

loop_
  _chem_comp_chir.comp_id
  _chem_comp_chir.id
  _chem_comp_chir.atom_id_centre
  _chem_comp_chir.atom_id_1
  _chem_comp_chir.atom_id_2
  _chem_comp_chir.atom_id_3
  _chem_comp_chir.volume_sign
   Cd chir_01 C3* C2* O3* C4* positiv
   Cd chir_02 C4* C3* O4* C5* positiv
   Cd chir_03 C1* N1 O4* C2* positiv
   Cd chir_04 P O5* O1P O2P both

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   Cd plan N1 0.020
   Cd plan C2 0.020
   Cd plan O2 0.020
   Cd plan N3 0.020
   Cd plan C4 0.020
   Cd plan N4 0.020
   Cd plan C5 0.020
   Cd plan C6 0.020
   Cd plan C1* 0.020
   Cd plan H6 0.020
   Cd plan H5 0.020
   Cd plan2 C4 0.020
   Cd plan2 N4 0.020
   Cd plan2 H41 0.020
   Cd plan2 H42 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   Cd plan
   Cd plan2

data_comp_CL
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.partial_charge
   CL CL CL CL 0.000

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   CL CL n/a . END

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   CL . 'chlorine                            ' non-polymer 1 1 .

data_comp_NA
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.partial_charge
   NA NA NA NA 0.000

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   NA NA n/a . END

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   NA . 'sodium                              ' non-polymer 1 1 .

