data_2xlh_qFit
_cell.length_a                    53.659
_cell.length_b                    53.659
_cell.length_c                    181.155
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      451716.662
_space_group.crystal_system       hexagonal
_space_group.IT_number            179
_space_group.name_H-M_alt         'P 65 2 2'
_space_group.name_Hall            ' P 65 2 (x,y,z+1/12)'
_symmetry.space_group_name_H-M    'P 65 2 2'
_symmetry.space_group_name_Hall   ' P 65 2 (x,y,z+1/12)'
_symmetry.Int_Tables_number       179
_reflns.B_iso_Wilson_estimate     11.62
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              41.35
_refine.ls_d_res_high             1.14
_refine.pdbx_ls_sigma_F           1.31
_refine.ls_percent_reflns_obs     96.28
_refine.ls_number_reflns_obs      55315
_refine.ls_number_reflns_R_work   53315
_refine.ls_number_reflns_R_free   2000
_refine.ls_R_factor_obs           0.1711
_refine.ls_R_factor_R_work        0.1704
_refine.ls_R_factor_R_free        0.1902
_refine.ls_percent_reflns_R_free  3.62
_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             0.0999
_refine.pdbx_overall_phase_error  18.3302
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                15.94
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 x-y,x,z+5/6
   3 y,-x+y,z+1/6
   4 -y,x-y,z+2/3
   5 -x+y,-x,z+1/3
   6 x-y,-y,-z
   7 -x,-x+y,-z+1/3
   8 -x,-y,z+1/2
   9 y,x,-z+2/3
   10 -y,-x,-z+1/6
   11 -x+y,y,-z+1/2
   12 x,x-y,-z+5/6

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

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

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

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

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 1317 0.0284 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1815 1.9358 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 183 0.1281 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 240 0.0141 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 473 14.8302 ? ?

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' 2.75 41.35 4277 0.1548 98.21 0.1851 160
   'X-RAY DIFFRACTION' 2.18 2.75 4071 0.1622 99.69 0.1714 153
   'X-RAY DIFFRACTION' 1.90 2.18 3984 0.1586 99.61 0.1695 150
   'X-RAY DIFFRACTION' 1.73 1.90 3937 0.1709 99.49 0.1982 148
   'X-RAY DIFFRACTION' 1.61 1.73 3940 0.1683 99.32 0.1612 147
   'X-RAY DIFFRACTION' 1.51 1.61 3909 0.1713 99.19 0.1979 146
   'X-RAY DIFFRACTION' 1.44 1.51 3878 0.1848 99.02 0.2229 146
   'X-RAY DIFFRACTION' 1.37 1.44 3842 0.1874 98.83 0.2106 144
   'X-RAY DIFFRACTION' 1.32 1.37 3862 0.1924 98.48 0.2194 145
   'X-RAY DIFFRACTION' 1.28 1.32 3787 0.1989 98.25 0.2075 143
   'X-RAY DIFFRACTION' 1.24 1.28 3828 0.2098 98.05 0.2196 143
   'X-RAY DIFFRACTION' 1.20 1.24 3719 0.2272 96.16 0.2543 139
   'X-RAY DIFFRACTION' 1.17 1.20 3430 0.2309 89.11 0.2164 129
   'X-RAY DIFFRACTION' 1.14 1.17 2851 0.2422 73.62 0.2776 107

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale PHE A 2 N PHE A 1 N . PCA A 1 C PCA A 126 C . 'Bond created based on atom type and distance.'
   C00002 covale CYS A 116 SG CYS A 115 SG . HEC A 128 CAB HEC B . CAB . 'Bond created based on atom type and distance.'
   C00003 covale CYS A 119 SG CYS A 118 SG . HEC A 128 CAC HEC B . CAC . 'Bond created based on atom type and distance.'
   C00004 covale HIS A 120 NE2 HIS A 119 NE2 . HEC A 128 FE HEC B . FE . '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.
;
 .
   Fe . . 20.90327 4.99816 . . 2.55100 38.46870 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   H . . 0.51345 0.48472 . . 24.73122 6.32584 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   HEC
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PCA
   PHE
   PRO
   SER
   SO4
   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 . PHE A 2 ? -32.29206 8.43450 2.76877 1.000 10.13688 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -33.38105 9.36637 3.10543 1.000 10.76952 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -34.60616 9.02932 2.26321 1.000 12.46352 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -34.54994 8.99089 1.02581 1.000 13.11293 O ? A ? 1 O 1
   ATOM 5 CB . PHE A 2 ? -32.89214 10.79217 2.87795 1.000 10.04605 C ? A ? 1 CB 1
   ATOM 6 CG . PHE A 2 ? -31.62759 11.07359 3.65623 1.000 10.23892 C ? A ? 1 CG 1
   ATOM 7 CD1 . PHE A 2 ? -31.62740 10.93850 5.02656 1.000 9.88916 C ? A ? 1 CD1 1
   ATOM 8 CD2 . PHE A 2 ? -30.48147 11.49014 3.00821 1.000 9.99973 C ? A ? 1 CD2 1
   ATOM 9 CE1 . PHE A 2 ? -30.43061 11.18896 5.75200 1.000 10.29469 C ? A ? 1 CE1 1
   ATOM 10 CE2 . PHE A 2 ? -29.31042 11.74174 3.73838 1.000 11.07015 C ? A ? 1 CE2 1
   ATOM 11 CZ . PHE A 2 ? -29.28862 11.55836 5.10611 1.000 10.59404 C ? A ? 1 CZ 1
   ATOM 12 HA . PHE A 2 ? -33.64675 9.30099 4.03604 1.000 12.92436 H ? A ? 1 HA 1
   ATOM 13 HB2 . PHE A 2 ? -32.70571 10.92069 1.93475 1.000 12.05620 H ? A ? 1 HB2 1
   ATOM 14 HB3 . PHE A 2 ? -33.57559 11.41591 3.16904 1.000 12.05620 H ? A ? 1 HB3 1
   ATOM 15 HD1 . PHE A 2 ? -32.40290 10.68578 5.47337 1.000 11.86793 H ? A ? 1 HD1 1
   ATOM 16 HD2 . PHE A 2 ? -30.48599 11.60416 2.08523 1.000 12.00061 H ? A ? 1 HD2 1
   ATOM 17 HE1 . PHE A 2 ? -30.42690 11.09973 6.67770 1.000 12.35457 H ? A ? 1 HE1 1
   ATOM 18 HE2 . PHE A 2 ? -28.54476 12.03364 3.29854 1.000 13.28512 H ? A ? 1 HE2 1
   ATOM 19 HZ . PHE A 2 ? -28.50070 11.68588 5.58343 1.000 12.71379 H ? A ? 1 HZ 1
   ATOM 20 N . ALA A 3 ? -35.71582 8.79775 2.94774 1.000 13.28617 N ? A ? 2 N 1
   ATOM 21 CA . ALA A 3 ? -36.92366 8.45182 2.20291 1.000 15.06435 C ? A ? 2 CA 1
   ATOM 22 C . ALA A 3 ? -37.47013 9.60985 1.43118 1.000 15.04831 C ? A ? 2 C 1
   ATOM 23 O . ALA A 3 ? -37.99870 9.39465 0.30476 1.000 18.05855 O ? A ? 2 O 1
   ATOM 24 CB . ALA A 3 ? -37.93735 7.90575 3.15619 1.000 17.58706 C ? A ? 2 CB 1
   ATOM 25 H . ALA A 3 ? -35.79673 8.83163 3.80325 1.000 15.94434 H ? A ? 2 H 1
   ATOM 26 HA . ALA A 3 ? -36.70879 7.76820 1.54916 1.000 18.07816 H ? A ? 2 HA 1
   ATOM 27 HB1 . ALA A 3 ? -38.72575 7.63702 2.65909 1.000 21.10541 H ? A ? 2 HB1 1
   ATOM 28 HB2 . ALA A 3 ? -37.55870 7.13971 3.61522 1.000 21.10541 H ? A ? 2 HB2 1
   ATOM 29 HB3 . ALA A 3 ? -38.17006 8.59442 3.79843 1.000 21.10541 H ? A ? 2 HB3 1
   ATOM 30 N . LYS A 4 ? -37.36613 10.84917 1.92404 1.000 14.95646 N ? A ? 3 N 1
   ATOM 31 CA . LYS A 4 ? -37.82688 12.03602 1.23157 1.000 15.04702 C ? A ? 3 CA 1
   ATOM 32 C . LYS A 4 ? -36.80770 13.11162 1.43186 1.000 12.38853 C ? A ? 3 C 1
   ATOM 33 O . LYS A 4 ? -35.96272 13.03752 2.39466 1.000 13.50300 O ? A ? 3 O 1
   ATOM 34 CB . LYS A 4 ? -39.12153 12.55938 1.85806 1.000 15.59803 C ? A ? 3 CB 1
   ATOM 35 CG . LYS A 4 ? -40.27279 11.52348 1.79069 1.000 18.92699 C ? A ? 3 CG 1
   ATOM 36 CD . LYS A 4 ? -41.45532 11.92385 2.75141 1.000 48.00328 C ? A ? 3 CD 1
   ATOM 37 CE . LYS A 4 ? -42.73117 11.13770 2.42139 1.000 52.18878 C ? A ? 3 CE 1
   ATOM 38 NZ . LYS A 4 ? -43.85681 11.38927 3.39244 1.000 65.72406 N ? A ? 3 NZ 1
   ATOM 39 H . LYS A 4 ? -37.01646 11.02467 2.68989 1.000 17.94869 H ? A ? 3 H 1
   ATOM 40 HA . LYS A 4 ? -37.94924 11.83566 0.29040 1.000 18.05736 H ? A ? 3 HA 1
   ATOM 41 HB2 . LYS A 4 ? -38.95949 12.77006 2.79094 1.000 18.71857 H ? A ? 3 HB2 1
   ATOM 42 HB3 . LYS A 4 ? -39.40427 13.35600 1.38230 1.000 18.71857 H ? A ? 3 HB3 1
   ATOM 43 HG2 . LYS A 4 ? -40.61565 11.48079 0.88431 1.000 22.71333 H ? A ? 3 HG2 1
   ATOM 44 HG3 . LYS A 4 ? -39.93997 10.65333 2.06082 1.000 22.71333 H ? A ? 3 HG3 1
   ATOM 45 HD2 . LYS A 4 ? -41.20522 11.72998 3.66834 1.000 57.60487 H ? A ? 3 HD2 1
   ATOM 46 HD3 . LYS A 4 ? -41.64481 12.86997 2.65218 1.000 57.60487 H ? A ? 3 HD3 1
   ATOM 47 HE2 . LYS A 4 ? -43.03821 11.39416 1.53773 1.000 62.62747 H ? A ? 3 HE2 1
   ATOM 48 HE3 . LYS A 4 ? -42.52911 10.18916 2.44007 1.000 62.62747 H ? A ? 3 HE3 1
   ATOM 49 HZ1 . LYS A 4 ? -44.56604 10.89990 3.16972 1.000 78.86981 H ? A ? 3 HZ1 1
   ATOM 50 HZ2 . LYS A 4 ? -43.60231 11.17057 4.21676 1.000 78.86981 H ? A ? 3 HZ2 1
   ATOM 51 HZ3 . LYS A 4 ? -44.08385 12.24972 3.37898 1.000 78.86981 H ? A ? 3 HZ3 1
   ATOM 52 N . PRO A 5 ? -36.83491 14.17337 0.64663 1.000 13.73843 N ? A ? 4 N 1
   ATOM 53 CA . PRO A 5 ? -35.92693 15.29005 0.87415 1.000 14.68840 C ? A ? 4 CA 1
   ATOM 54 C . PRO A 5 ? -35.95382 15.82525 2.27262 1.000 12.40647 C ? A ? 4 C 1
   ATOM 55 O . PRO A 5 ? -34.88183 16.20603 2.81910 1.000 12.38485 O ? A ? 4 O 1
   ATOM 56 CB . PRO A 5 ? -36.27795 16.37212 -0.17775 1.000 16.59167 C ? A ? 4 CB 1
   ATOM 57 CG . PRO A 5 ? -37.18641 15.64011 -1.12343 1.000 23.43550 C ? A ? 4 CG 1
   ATOM 58 CD . PRO A 5 ? -37.71460 14.42150 -0.54855 1.000 15.50816 C ? A ? 4 CD 1
   ATOM 59 HA . PRO A 5 ? -35.03472 14.97621 0.65882 1.000 17.62702 H ? A ? 4 HA 1
   ATOM 60 HB2 . PRO A 5 ? -36.73187 17.11879 0.24338 1.000 19.91095 H ? A ? 4 HB2 1
   ATOM 61 HB3 . PRO A 5 ? -35.47515 16.68174 -0.62557 1.000 19.91095 H ? A ? 4 HB3 1
   ATOM 62 HG2 . PRO A 5 ? -37.92168 16.23068 -1.35036 1.000 28.12353 H ? A ? 4 HG2 1
   ATOM 63 HG3 . PRO A 5 ? -36.67753 15.42265 -1.92008 1.000 28.12353 H ? A ? 4 HG3 1
   ATOM 64 HD2 . PRO A 5 ? -38.63739 14.54322 -0.27554 1.000 18.61074 H ? A ? 4 HD2 1
   ATOM 65 HD3 . PRO A 5 ? -37.64946 13.68824 -1.18020 1.000 18.61074 H ? A ? 4 HD3 1
   ATOM 66 N . GLU A 6 ? -37.09758 15.83879 2.90774 1.000 11.70715 N ? A ? 5 N 1
   ATOM 67 CA . GLU A 6 ? -37.18597 16.39860 4.24728 1.000 11.89668 C ? A ? 5 CA 1
   ATOM 68 C . GLU A 6 ? -36.31678 15.63924 5.21178 1.000 10.44029 C ? A ? 5 C 1
   ATOM 69 O . GLU A 6 ? -35.86543 16.21634 6.22039 1.000 10.78348 O ? A ? 5 O 1
   ATOM 70 CB . GLU A 6 ? -38.60152 16.38603 4.78517 1.000 12.33612 C ? A ? 5 CB 1
   ATOM 71 CG . GLU A 6 ? -39.57454 17.33294 4.09360 1.000 15.68336 C ? A ? 5 CG 1
   ATOM 72 CD . GLU A 6 ? -40.15495 16.91255 2.75926 1.000 15.03613 C ? A ? 5 CD 1
   ATOM 73 OE1 . GLU A 6 ? -39.82069 15.95841 2.14285 1.000 14.24633 O ? A ? 5 OE1 1
   ATOM 74 OE2 . GLU A 6 ? -41.11947 17.75340 2.41748 1.000 17.44174 O ? A ? 5 OE2 1
   ATOM 75 H . GLU A 6 ? -37.83885 15.53423 2.59572 1.000 14.04951 H ? A ? 5 H 1
   ATOM 76 HA . GLU A 6 ? -36.89953 17.32302 4.18165 1.000 14.27696 H ? A ? 5 HA 1
   ATOM 77 HB2 . GLU A 6 ? -38.95589 15.48808 4.69026 1.000 14.80428 H ? A ? 5 HB2 1
   ATOM 78 HB3 . GLU A 6 ? -38.57387 16.63444 5.72241 1.000 14.80428 H ? A ? 5 HB3 1
   ATOM 79 HG2 . GLU A 6 ? -40.32622 17.47147 4.69084 1.000 18.82097 H ? A ? 5 HG2 1
   ATOM 80 HG3 . GLU A 6 ? -39.11220 18.17209 3.94203 1.000 18.82097 H ? A ? 5 HG3 1
   ATOM 81 N . ASP A 7 ? -36.11659 14.34971 4.96320 1.000 10.65603 N ? A ? 6 N 1
   ATOM 82 CA . ASP A 7 ? -35.28852 13.54408 5.85401 1.000 11.31897 C ? A ? 6 CA 1
   ATOM 83 C . ASP A 7 ? -33.81079 13.89981 5.68407 1.000 8.72708 C ? A ? 6 C 1
   ATOM 84 O . ASP A 7 ? -33.07281 13.91022 6.69585 1.000 9.29509 O ? A ? 6 O 1
   ATOM 85 H . ASP A 7 ? -36.44429 13.92067 4.29377 1.000 12.78818 H ? A ? 6 H 1
   ATOM 86 HA . ASP A 7 ? -35.55087 13.70450 6.77397 1.000 13.58370 H ? A ? 6 HA 1
   ATOM 87 CB A ASP A 7 ? -35.51904 12.03796 5.61191 0.269 10.84697 C ? A ? 6 CB 1
   ATOM 88 CG A ASP A 7 ? -36.91152 11.55097 6.06415 0.269 14.66621 C ? A ? 6 CG 1
   ATOM 89 OD1 A ASP A 7 ? -37.49763 12.17719 6.97911 0.269 15.35035 O ? A ? 6 OD1 1
   ATOM 90 OD2 A ASP A 7 ? -37.38375 10.53841 5.47600 0.269 12.03148 O ? A ? 6 OD2 1
   ATOM 91 HB2 A ASP A 7 ? -35.43436 11.85626 4.66285 0.269 13.01730 H ? A ? 6 HB2 1
   ATOM 92 HB3 A ASP A 7 ? -34.85317 11.53522 6.10665 0.269 13.01730 H ? A ? 6 HB3 1
   ATOM 93 CB B ASP A 7 ? -35.48989 12.06612 5.53238 0.731 10.99268 C ? A ? 6 CB 1
   ATOM 94 CG B ASP A 7 ? -36.92374 11.64158 5.74880 0.731 11.00461 C ? A ? 6 CG 1
   ATOM 95 OD1 B ASP A 7 ? -37.40535 11.79208 6.86232 0.731 13.71661 O ? A ? 6 OD1 1
   ATOM 96 OD2 B ASP A 7 ? -37.53727 11.13906 4.78942 0.731 13.05066 O ? A ? 6 OD2 1
   ATOM 97 HB2 B ASP A 7 ? -35.26121 11.90595 4.60343 0.731 13.19216 H ? A ? 6 HB2 1
   ATOM 98 HB3 B ASP A 7 ? -34.92301 11.53192 6.11046 0.731 13.19216 H ? A ? 6 HB3 1
   ATOM 99 N . ALA A 8 ? -33.38652 14.24399 4.50580 1.000 9.07494 N ? A ? 7 N 1
   ATOM 100 CA . ALA A 8 ? -32.03276 14.73514 4.29289 1.000 9.29363 C ? A ? 7 CA 1
   ATOM 101 C . ALA A 8 ? -31.81982 16.08003 4.93357 1.000 9.19334 C ? A ? 7 C 1
   ATOM 102 O . ALA A 8 ? -30.76936 16.32978 5.55884 1.000 8.66812 O ? A ? 7 O 1
   ATOM 103 CB . ALA A 8 ? -31.79678 14.80962 2.77166 1.000 9.76946 C ? A ? 7 CB 1
   ATOM 104 H . ALA A 8 ? -33.85985 14.20776 3.78869 1.000 10.89087 H ? A ? 7 H 1
   ATOM 105 HA . ALA A 8 ? -31.39044 14.12956 4.69489 1.000 11.15329 H ? A ? 7 HA 1
   ATOM 106 HB1 . ALA A 8 ? -30.90733 15.15977 2.60683 1.000 11.72429 H ? A ? 7 HB1 1
   ATOM 107 HB2 . ALA A 8 ? -31.87656 13.91899 2.39573 1.000 11.72429 H ? A ? 7 HB2 1
   ATOM 108 HB3 . ALA A 8 ? -32.46139 15.39587 2.37731 1.000 11.72429 H ? A ? 7 HB3 1
   ATOM 109 N . VAL A 9 ? -32.83779 16.94330 4.85349 1.000 8.55500 N ? A ? 8 N 1
   ATOM 110 CA . VAL A 9 ? -32.74642 18.24134 5.51546 1.000 9.04471 C ? A ? 8 CA 1
   ATOM 111 C . VAL A 9 ? -32.60450 18.05403 7.01272 1.000 9.20631 C ? A ? 8 C 1
   ATOM 112 O . VAL A 9 ? -31.75165 18.69625 7.66722 1.000 9.13112 O ? A ? 8 O 1
   ATOM 113 CB . VAL A 9 ? -33.95132 19.10308 5.14453 1.000 9.77248 C ? A ? 8 CB 1
   ATOM 114 CG1 . VAL A 9 ? -33.98150 20.40889 5.96484 1.000 11.48259 C ? A ? 8 CG1 1
   ATOM 115 CG2 . VAL A 9 ? -34.07833 19.39065 3.61366 1.000 11.66791 C ? A ? 8 CG2 1
   ATOM 116 H . VAL A 9 ? -33.57376 16.80248 4.43145 1.000 10.26694 H ? A ? 8 H 1
   ATOM 117 HA . VAL A 9 ? -31.95150 18.70392 5.20719 1.000 10.85459 H ? A ? 8 HA 1
   ATOM 118 HB . VAL A 9 ? -34.73542 18.58025 5.37421 1.000 11.72792 H ? A ? 8 HB 1
   ATOM 119 HG11 . VAL A 9 ? -34.67817 20.98584 5.61458 1.000 13.78004 H ? A ? 8 HG11 1
   ATOM 120 HG12 . VAL A 9 ? -34.16498 20.19465 6.89292 1.000 13.78004 H ? A ? 8 HG12 1
   ATOM 121 HG13 . VAL A 9 ? -33.11989 20.84828 5.89089 1.000 13.78004 H ? A ? 8 HG13 1
   ATOM 122 HG21 . VAL A 9 ? -34.87095 19.92769 3.45791 1.000 14.00243 H ? A ? 8 HG21 1
   ATOM 123 HG22 . VAL A 9 ? -33.28976 19.87073 3.31602 1.000 14.00243 H ? A ? 8 HG22 1
   ATOM 124 HG23 . VAL A 9 ? -34.15129 18.54787 3.13900 1.000 14.00243 H ? A ? 8 HG23 1
   ATOM 125 N . LYS A 10 ? -33.43921 17.23384 7.59269 1.000 8.99726 N ? A ? 9 N 1
   ATOM 126 CA . LYS A 10 ? -33.35575 17.00958 9.03176 1.000 9.45147 C ? A ? 9 CA 1
   ATOM 127 C . LYS A 10 ? -31.99639 16.48385 9.44685 1.000 8.36660 C ? A ? 9 C 1
   ATOM 128 O . LYS A 10 ? -31.42029 16.87237 10.46939 1.000 8.84364 O ? A ? 9 O 1
   ATOM 129 CB . LYS A 10 ? -34.45504 16.09254 9.48611 1.000 11.02650 C ? A ? 9 CB 1
   ATOM 130 CG . LYS A 10 ? -34.47556 15.79816 10.90948 1.000 16.70934 C ? A ? 9 CG 1
   ATOM 131 CD . LYS A 10 ? -35.88363 15.14577 11.33036 1.000 43.21717 C ? A ? 9 CD 1
   ATOM 132 CE . LYS A 10 ? -35.91281 14.28183 12.67845 1.000 47.10335 C ? A ? 9 CE 1
   ATOM 133 NZ . LYS A 10 ? -37.38895 14.03406 13.04202 1.000 52.94114 N ? A ? 9 NZ 1
   ATOM 134 H . LYS A 10 ? -34.06022 16.79383 7.19227 1.000 10.79765 H ? A ? 9 H 1
   ATOM 135 HA . LYS A 10 ? -33.48219 17.86123 9.47852 1.000 11.34270 H ? A ? 9 HA 1
   ATOM 136 HB2 . LYS A 10 ? -35.30564 16.50230 9.26369 1.000 13.23274 H ? A ? 9 HB2 1
   ATOM 137 HB3 . LYS A 10 ? -34.36104 15.24821 9.01795 1.000 13.23274 H ? A ? 9 HB3 1
   ATOM 138 HG2 . LYS A 10 ? -33.76809 15.16933 11.12150 1.000 20.05215 H ? A ? 9 HG2 1
   ATOM 139 HG3 . LYS A 10 ? -34.35235 16.61820 11.41272 1.000 20.05215 H ? A ? 9 HG3 1
   ATOM 140 HD2 . LYS A 10 ? -36.52516 15.86449 11.44340 1.000 51.86155 H ? A ? 9 HD2 1
   ATOM 141 HD3 . LYS A 10 ? -36.16759 14.55731 10.61343 1.000 51.86155 H ? A ? 9 HD3 1
   ATOM 142 HE2 . LYS A 10 ? -35.46863 13.43048 12.54129 1.000 56.52496 H ? A ? 9 HE2 1
   ATOM 143 HE3 . LYS A 10 ? -35.48209 14.76855 13.39851 1.000 56.52496 H ? A ? 9 HE3 1
   ATOM 144 HZ1 . LYS A 10 ? -37.44204 13.56625 13.79729 1.000 63.53031 H ? A ? 9 HZ1 1
   ATOM 145 HZ2 . LYS A 10 ? -37.80957 14.81051 13.15303 1.000 63.53031 H ? A ? 9 HZ2 1
   ATOM 146 HZ3 . LYS A 10 ? -37.79040 13.57855 12.39130 1.000 63.53031 H ? A ? 9 HZ3 1
   ATOM 147 N . TYR A 11 ? -31.48642 15.50126 8.67698 1.000 8.98061 N ? A ? 10 N 1
   ATOM 148 CA . TYR A 11 ? -30.16418 14.91873 8.97404 1.000 8.46996 C ? A ? 10 CA 1
   ATOM 149 C . TYR A 11 ? -29.10697 16.00730 8.94748 1.000 7.94532 C ? A ? 10 C 1
   ATOM 150 O . TYR A 11 ? -28.27702 16.10592 9.88416 1.000 7.98671 O ? A ? 10 O 1
   ATOM 151 CB . TYR A 11 ? -29.86698 13.81595 7.97657 1.000 8.30923 C ? A ? 10 CB 1
   ATOM 152 CG . TYR A 11 ? -28.51188 13.17983 8.17894 1.000 8.10311 C ? A ? 10 CG 1
   ATOM 153 CD1 . TYR A 11 ? -27.39494 13.80537 7.74030 1.000 8.05202 C ? A ? 10 CD1 1
   ATOM 154 CD2 . TYR A 11 ? -28.35352 11.98115 8.84598 1.000 7.90533 C ? A ? 10 CD2 1
   ATOM 155 CE1 . TYR A 11 ? -26.12828 13.23716 7.91758 1.000 7.86348 C ? A ? 10 CE1 1
   ATOM 156 CE2 . TYR A 11 ? -27.11454 11.38325 9.01742 1.000 8.59058 C ? A ? 10 CE2 1
   ATOM 157 CZ . TYR A 11 ? -26.02242 12.01183 8.57108 1.000 7.85194 C ? A ? 10 CZ 1
   ATOM 158 OH . TYR A 11 ? -24.72958 11.50811 8.70770 1.000 8.91163 O ? A ? 10 OH 1
   ATOM 159 H . TYR A 11 ? -31.87858 15.16172 7.99104 1.000 10.77767 H ? A ? 10 H 1
   ATOM 160 HA . TYR A 11 ? -30.15743 14.51764 9.85721 1.000 10.16489 H ? A ? 10 HA 1
   ATOM 161 HB2 . TYR A 11 ? -30.53881 13.12204 8.06621 1.000 9.97201 H ? A ? 10 HB2 1
   ATOM 162 HB3 . TYR A 11 ? -29.89143 14.18768 7.08096 1.000 9.97201 H ? A ? 10 HB3 1
   ATOM 163 HD1 . TYR A 11 ? -27.47042 14.62803 7.31316 1.000 9.66336 H ? A ? 10 HD1 1
   ATOM 164 HD2 . TYR A 11 ? -29.10608 11.55922 9.19315 1.000 9.48733 H ? A ? 10 HD2 1
   ATOM 165 HE1 . TYR A 11 ? -25.36827 13.67151 7.60355 1.000 9.43711 H ? A ? 10 HE1 1
   ATOM 166 HE2 . TYR A 11 ? -27.04414 10.55633 9.43712 1.000 10.30963 H ? A ? 10 HE2 1
   ATOM 167 HH . TYR A 11 ? -24.65767 10.78376 8.28847 1.000 10.69490 H ? A ? 10 HH 1
   ATOM 168 N . ARG A 12 ? -29.02665 16.77466 7.86427 1.000 7.87996 N ? A ? 11 N 1
   ATOM 169 CA . ARG A 12 ? -27.92525 17.70003 7.77573 1.000 7.95547 C ? A ? 11 CA 1
   ATOM 170 C . ARG A 12 ? -28.00269 18.79614 8.81795 1.000 7.57058 C ? A ? 11 C 1
   ATOM 171 O . ARG A 12 ? -26.97129 19.20902 9.36942 1.000 7.68038 O ? A ? 11 O 1
   ATOM 172 CB . ARG A 12 ? -27.74949 18.31313 6.36611 1.000 8.38949 C ? A ? 11 CB 1
   ATOM 173 CG . ARG A 12 ? -28.83833 19.25554 5.88798 1.000 8.17505 C ? A ? 11 CG 1
   ATOM 174 CD . ARG A 12 ? -28.95551 19.18965 4.38491 1.000 8.74913 C ? A ? 11 CD 1
   ATOM 175 NE . ARG A 12 ? -29.87709 20.20562 3.87964 1.000 8.57632 N ? A ? 11 NE 1
   ATOM 176 CZ . ARG A 12 ? -30.45561 20.13552 2.67463 1.000 9.48746 C ? A ? 11 CZ 1
   ATOM 177 NH1 . ARG A 12 ? -30.30572 19.08826 1.91618 1.000 9.29337 N ? A ? 11 NH1 1
   ATOM 178 NH2 . ARG A 12 ? -31.22541 21.15337 2.24606 1.000 9.79632 N ? A ? 11 NH2 1
   ATOM 179 H . ARG A 12 ? -29.57516 16.77300 7.20190 1.000 9.45690 H ? A ? 11 H 1
   ATOM 180 HA . ARG A 12 ? -27.13051 17.16955 7.94269 1.000 9.54750 H ? A ? 11 HA 1
   ATOM 181 HB2 . ARG A 12 ? -26.91871 18.81377 6.35848 1.000 10.06832 H ? A ? 11 HB2 1
   ATOM 182 HB3 . ARG A 12 ? -27.70422 17.58547 5.72630 1.000 10.06832 H ? A ? 11 HB3 1
   ATOM 183 HG2 . ARG A 12 ? -29.68827 18.99764 6.27782 1.000 9.81100 H ? A ? 11 HG2 1
   ATOM 184 HG3 . ARG A 12 ? -28.61864 20.16519 6.14325 1.000 9.81100 H ? A ? 11 HG3 1
   ATOM 185 HD2 . ARG A 12 ? -28.08407 19.34200 3.98707 1.000 10.49990 H ? A ? 11 HD2 1
   ATOM 186 HD3 . ARG A 12 ? -29.29040 18.31687 4.12605 1.000 10.49990 H ? A ? 11 HD3 1
   ATOM 187 HE . ARG A 12 ? -30.05625 20.88110 4.38087 1.000 10.29252 H ? A ? 11 HE 1
   ATOM 188 HH11 . ARG A 12 ? -29.82839 18.42607 2.18685 1.000 11.15299 H ? A ? 11 HH11 1
   ATOM 189 HH12 . ARG A 12 ? -30.68402 19.05855 1.14442 1.000 11.15299 H ? A ? 11 HH12 1
   ATOM 190 HH21 . ARG A 12 ? -31.34310 21.84342 2.74564 1.000 11.75652 H ? A ? 11 HH21 1
   ATOM 191 HH22 . ARG A 12 ? -31.59949 21.11355 1.47271 1.000 11.75652 H ? A ? 11 HH22 1
   ATOM 192 N . GLN A 13 ? -29.21618 19.25070 9.13784 1.000 8.12133 N ? A ? 12 N 1
   ATOM 193 CA . GLN A 13 ? -29.37721 20.23869 10.19094 1.000 8.56862 C ? A ? 12 CA 1
   ATOM 194 C . GLN A 13 ? -28.90842 19.68893 11.54714 1.000 7.99507 C ? A ? 12 C 1
   ATOM 195 O . GLN A 13 ? -28.27314 20.40076 12.34722 1.000 8.53933 O ? A ? 12 O 1
   ATOM 196 CB . GLN A 13 ? -30.79740 20.73922 10.24266 1.000 8.95458 C ? A ? 12 CB 1
   ATOM 197 CG . GLN A 13 ? -31.15866 21.57264 9.03720 1.000 7.97880 C ? A ? 12 CG 1
   ATOM 198 CD . GLN A 13 ? -32.59595 22.03467 9.00765 1.000 9.69473 C ? A ? 12 CD 1
   ATOM 199 OE1 . GLN A 13 ? -33.40204 21.50927 9.74082 1.000 12.69728 O ? A ? 12 OE1 1
   ATOM 200 NE2 . GLN A 13 ? -32.91934 23.00864 8.15880 1.000 10.31910 N ? A ? 12 NE2 1
   ATOM 201 H . GLN A 13 ? -29.94962 19.00371 8.76278 1.000 9.74654 H ? A ? 12 H 1
   ATOM 202 HA . GLN A 13 ? -28.82286 21.00786 9.98605 1.000 10.28328 H ? A ? 12 HA 1
   ATOM 203 HB2 . GLN A 13 ? -31.40002 19.97986 10.27609 1.000 10.74643 H ? A ? 12 HB2 1
   ATOM 204 HB3 . GLN A 13 ? -30.91129 21.28823 11.03419 1.000 10.74643 H ? A ? 12 HB3 1
   ATOM 205 HG2 . GLN A 13 ? -30.59642 22.36301 9.02708 1.000 9.57549 H ? A ? 12 HG2 1
   ATOM 206 HG3 . GLN A 13 ? -31.00385 21.04512 8.23803 1.000 9.57549 H ? A ? 12 HG3 1
   ATOM 207 HE21 . GLN A 13 ? -32.31748 23.35327 7.65027 1.000 12.38385 H ? A ? 12 HE21 1
   ATOM 208 HE22 . GLN A 13 ? -33.73003 23.29294 8.11919 1.000 12.38385 H ? A ? 12 HE22 1
   ATOM 209 N . SER A 14 ? -29.24654 18.45703 11.84737 1.000 8.45841 N ? A ? 13 N 1
   ATOM 210 CA . SER A 14 ? -28.78025 17.82226 13.06363 1.000 8.15145 C ? A ? 13 CA 1
   ATOM 211 C . SER A 14 ? -27.27285 17.66630 13.07488 1.000 7.84034 C ? A ? 13 C 1
   ATOM 212 O . SER A 14 ? -26.62327 17.90230 14.11367 1.000 8.54660 O ? A ? 13 O 1
   ATOM 213 CB . SER A 14 ? -29.40586 16.42686 13.22814 1.000 9.37297 C ? A ? 13 CB 1
   ATOM 214 OG . SER A 14 ? -30.79415 16.55856 13.45593 1.000 15.30436 O ? A ? 13 OG 1
   ATOM 215 H . SER A 14 ? -29.75030 17.95696 11.36182 1.000 10.15103 H ? A ? 13 H 1
   ATOM 216 HA . SER A 14 ? -29.05486 18.38799 13.80217 1.000 9.78268 H ? A ? 13 HA 1
   ATOM 217 HB2 . SER A 14 ? -29.26027 15.91188 12.41914 1.000 11.24850 H ? A ? 13 HB2 1
   ATOM 218 HB3 . SER A 14 ? -28.99704 15.97847 13.98492 1.000 11.24850 H ? A ? 13 HB3 1
   ATOM 219 HG . SER A 14 ? -31.21000 16.51768 12.72724 1.000 18.36616 H ? A ? 13 HG 1
   ATOM 220 N . ALA A 15 ? -26.66706 17.21451 11.95694 1.000 7.80935 N ? A ? 14 N 1
   ATOM 221 CA . ALA A 15 ? -25.21126 17.10320 11.88318 1.000 8.15467 C ? A ? 14 CA 1
   ATOM 222 C . ALA A 15 ? -24.53131 18.42380 12.11397 1.000 7.63264 C ? A ? 14 C 1
   ATOM 223 O . ALA A 15 ? -23.53010 18.48177 12.84031 1.000 8.66041 O ? A ? 14 O 1
   ATOM 224 CB . ALA A 15 ? -24.77816 16.52160 10.54435 1.000 9.03378 C ? A ? 14 CB 1
   ATOM 225 H . ALA A 15 ? -27.07734 16.97125 11.24133 1.000 9.37215 H ? A ? 14 H 1
   ATOM 226 HA . ALA A 15 ? -24.93079 16.49279 12.58291 1.000 9.78654 H ? A ? 14 HA 1
   ATOM 227 HB1 . ALA A 15 ? -23.81183 16.43796 10.53413 1.000 10.84148 H ? A ? 14 HB1 1
   ATOM 228 HB2 . ALA A 15 ? -25.18690 15.64913 10.43199 1.000 10.84148 H ? A ? 14 HB2 1
   ATOM 229 HB3 . ALA A 15 ? -25.06627 17.11582 9.83386 1.000 10.84148 H ? A ? 14 HB3 1
   ATOM 230 N . LEU A 16 ? -25.03761 19.47860 11.48776 1.000 8.52022 N ? A ? 15 N 1
   ATOM 231 CA . LEU A 16 ? -24.44621 20.79676 11.57335 1.000 8.02668 C ? A ? 15 CA 1
   ATOM 232 C . LEU A 16 ? -24.61898 21.36977 13.00568 1.000 8.42095 C ? A ? 15 C 1
   ATOM 233 O . LEU A 16 ? -23.71706 22.00525 13.53721 1.000 9.05648 O ? A ? 15 O 1
   ATOM 234 CB . LEU A 16 ? -25.06876 21.66366 10.50412 1.000 8.26413 C ? A ? 15 CB 1
   ATOM 235 CG . LEU A 16 ? -24.60359 21.27520 9.12083 1.000 8.36491 C ? A ? 15 CG 1
   ATOM 236 CD1 . LEU A 16 ? -25.54031 21.84942 8.03784 1.000 8.71245 C ? A ? 15 CD1 1
   ATOM 237 CD2 . LEU A 16 ? -23.17091 21.75338 8.81500 1.000 9.70411 C ? A ? 15 CD2 1
   ATOM 238 H . LEU A 16 ? -25.74176 19.45387 10.99465 1.000 10.22520 H ? A ? 15 H 1
   ATOM 239 HA . LEU A 16 ? -23.49163 20.77442 11.40250 1.000 9.63295 H ? A ? 15 HA 1
   ATOM 240 HB2 . LEU A 16 ? -26.03343 21.56825 10.53888 1.000 9.91789 H ? A ? 15 HB2 1
   ATOM 241 HB3 . LEU A 16 ? -24.82101 22.58843 10.66010 1.000 9.91789 H ? A ? 15 HB3 1
   ATOM 242 HG . LEU A 16 ? -24.61528 20.30560 9.09528 1.000 10.03883 H ? A ? 15 HG 1
   ATOM 243 HD11 . LEU A 16 ? -25.07387 21.85477 7.18737 1.000 10.45587 H ? A ? 15 HD11 1
   ATOM 244 HD12 . LEU A 16 ? -26.33204 21.29229 7.97737 1.000 10.45587 H ? A ? 15 HD12 1
   ATOM 245 HD13 . LEU A 16 ? -25.79026 22.75384 8.28371 1.000 10.45587 H ? A ? 15 HD13 1
   ATOM 246 HD21 . LEU A 16 ? -22.94184 21.50354 7.90616 1.000 11.64587 H ? A ? 15 HD21 1
   ATOM 247 HD22 . LEU A 16 ? -23.13222 22.71767 8.91271 1.000 11.64587 H ? A ? 15 HD22 1
   ATOM 248 HD23 . LEU A 16 ? -22.55787 21.33291 9.43814 1.000 11.64587 H ? A ? 15 HD23 1
   ATOM 249 N A THR A 17 ? -25.78975 21.09419 13.63558 0.364 8.18014 N ? A ? 16 N 1
   ATOM 250 CA A THR A 17 ? -26.02709 21.49996 15.01890 0.364 7.46617 C ? A ? 16 CA 1
   ATOM 251 C A THR A 17 ? -24.88925 20.99552 15.89733 0.364 8.91573 C ? A ? 16 C 1
   ATOM 252 O A THR A 17 ? -24.34492 21.70096 16.75656 0.364 7.31059 O ? A ? 16 O 1
   ATOM 253 CB A THR A 17 ? -27.33447 20.85956 15.54356 0.364 8.04711 C ? A ? 16 CB 1
   ATOM 254 OG1 A THR A 17 ? -28.41181 21.54994 14.90038 0.364 7.23820 O ? A ? 16 OG1 1
   ATOM 255 CG2 A THR A 17 ? -27.48735 20.95536 17.06938 0.364 10.72916 C ? A ? 16 CG2 1
   ATOM 256 H A THR A 17 ? -26.44961 20.67611 13.27586 0.364 9.81711 H ? A ? 16 H 1
   ATOM 257 HA A THR A 17 ? -26.09979 22.46661 15.05346 0.364 8.96034 H ? A ? 16 HA 1
   ATOM 258 HB A THR A 17 ? -27.34004 19.90952 15.34788 0.364 9.65747 H ? A ? 16 HB 1
   ATOM 259 HG1 A THR A 17 ? -28.20408 21.73074 14.10681 0.364 8.68677 H ? A ? 16 HG1 1
   ATOM 260 HG21 A THR A 17 ? -28.42441 20.89737 17.31320 0.364 12.87593 H ? A ? 16 HG21 1
   ATOM 261 HG22 A THR A 17 ? -27.00530 20.23049 17.49726 0.364 12.87593 H ? A ? 16 HG22 1
   ATOM 262 HG23 A THR A 17 ? -27.13138 21.80028 17.38607 0.364 12.87593 H ? A ? 16 HG23 1
   ATOM 263 N B THR A 17 ? -25.77242 21.10415 13.64863 0.636 8.18484 N ? A ? 16 N 1
   ATOM 264 CA B THR A 17 ? -25.93372 21.41019 15.05918 0.636 8.48067 C ? A ? 16 CA 1
   ATOM 265 C B THR A 17 ? -24.87626 20.67432 15.92939 0.636 8.19697 C ? A ? 16 C 1
   ATOM 266 O B THR A 17 ? -24.28927 21.28801 16.85352 0.636 8.67724 O ? A ? 16 O 1
   ATOM 267 CB B THR A 17 ? -27.37566 21.14397 15.46077 0.636 8.56616 C ? A ? 16 CB 1
   ATOM 268 OG1 B THR A 17 ? -28.26331 22.07964 14.82110 0.636 10.23984 O ? A ? 16 OG1 1
   ATOM 269 CG2 B THR A 17 ? -27.58264 21.39793 16.92318 0.636 9.26671 C ? A ? 16 CG2 1
   ATOM 270 H B THR A 17 ? -26.46538 20.74926 13.28332 0.636 9.82274 H ? A ? 16 H 1
   ATOM 271 HA B THR A 17 ? -25.77423 22.35246 15.22529 0.636 10.17774 H ? A ? 16 HA 1
   ATOM 272 HB B THR A 17 ? -27.56747 20.22439 15.21894 0.636 10.28033 H ? A ? 16 HB 1
   ATOM 273 HG1 B THR A 17 ? -28.17115 22.03899 13.98716 0.636 12.28874 H ? A ? 16 HG1 1
   ATOM 274 HG21 B THR A 17 ? -28.53116 21.44323 17.12105 0.636 11.12099 H ? A ? 16 HG21 1
   ATOM 275 HG22 B THR A 17 ? -27.18635 20.68170 17.44363 0.636 11.12099 H ? A ? 16 HG22 1
   ATOM 276 HG23 B THR A 17 ? -27.16786 22.23752 17.17607 0.636 11.12099 H ? A ? 16 HG23 1
   ATOM 277 N A LEU A 18 ? -24.55606 19.72588 15.73271 0.364 6.35641 N ? A ? 17 N 1
   ATOM 278 CA A LEU A 18 ? -23.53123 19.11718 16.56752 0.364 6.19462 C ? A ? 17 CA 1
   ATOM 279 C A LEU A 18 ? -22.18850 19.70639 16.23950 0.364 5.45571 C ? A ? 17 C 1
   ATOM 280 O A LEU A 18 ? -21.38897 19.93597 17.17048 0.364 6.14403 O ? A ? 17 O 1
   ATOM 281 CB A LEU A 18 ? -23.61569 17.57591 16.46854 0.364 8.65829 C ? A ? 17 CB 1
   ATOM 282 CG A LEU A 18 ? -24.00381 16.59241 17.75502 0.364 9.48632 C ? A ? 17 CG 1
   ATOM 283 CD1 A LEU A 18 ? -25.40774 17.07523 18.24402 0.364 8.78204 C ? A ? 17 CD1 1
   ATOM 284 CD2 A LEU A 18 ? -23.91351 15.09417 17.56917 0.364 13.84259 C ? A ? 17 CD2 1
   ATOM 285 H A LEU A 18 ? -24.90377 19.19715 15.15034 0.364 7.62863 H ? A ? 17 H 1
   ATOM 286 HA A LEU A 18 ? -23.67585 19.29836 17.50941 0.364 7.43448 H ? A ? 17 HA 1
   ATOM 287 HB2 A LEU A 18 ? -24.28200 17.38247 15.79067 0.364 10.39089 H ? A ? 17 HB2 1
   ATOM 288 HB3 A LEU A 18 ? -22.74306 17.27367 16.17178 0.364 10.39089 H ? A ? 17 HB3 1
   ATOM 289 HG A LEU A 18 ? -23.31425 16.68973 18.43025 0.364 11.38452 H ? A ? 17 HG 1
   ATOM 290 HD11 A LEU A 18 ? -25.73847 16.45702 18.91434 0.364 10.53939 H ? A ? 17 HD11 1
   ATOM 291 HD12 A LEU A 18 ? -25.32104 17.96246 18.62639 0.364 10.53939 H ? A ? 17 HD12 1
   ATOM 292 HD13 A LEU A 18 ? -26.01465 17.09885 17.48771 0.364 10.53939 H ? A ? 17 HD13 1
   ATOM 293 HD21 A LEU A 18 ? -24.14330 14.65791 18.40450 0.364 16.61205 H ? A ? 17 HD21 1
   ATOM 294 HD22 A LEU A 18 ? -24.53338 14.82429 16.87360 0.364 16.61205 H ? A ? 17 HD22 1
   ATOM 295 HD23 A LEU A 18 ? -23.00727 14.86178 17.31300 0.364 16.61205 H ? A ? 17 HD23 1
   ATOM 296 N B LEU A 18 ? -24.69935 19.36941 15.73883 0.636 8.49968 N ? A ? 17 N 1
   ATOM 297 CA B LEU A 18 ? -23.74834 18.66334 16.58637 0.636 8.68399 C ? A ? 17 CA 1
   ATOM 298 C B LEU A 18 ? -22.33141 19.08142 16.30023 0.636 9.37553 C ? A ? 17 C 1
   ATOM 299 O B LEU A 18 ? -21.50570 19.28122 17.23932 0.636 8.59870 O ? A ? 17 O 1
   ATOM 300 CB B LEU A 18 ? -23.75805 17.22703 16.26460 0.636 9.78448 C ? A ? 17 CB 1
   ATOM 301 CG B LEU A 18 ? -24.93739 16.67798 16.77173 0.636 11.30074 C ? A ? 17 CG 1
   ATOM 302 CD1 B LEU A 18 ? -24.96754 15.31328 16.11644 0.636 13.36787 C ? A ? 17 CD1 1
   ATOM 303 CD2 B LEU A 18 ? -25.15833 16.54350 18.31434 0.636 10.60024 C ? A ? 17 CD2 1
   ATOM 304 H B LEU A 18 ? -25.10174 18.88975 15.14924 0.636 10.20055 H ? A ? 17 H 1
   ATOM 305 HA B LEU A 18 ? -24.00925 18.84883 17.50203 0.636 10.42173 H ? A ? 17 HA 1
   ATOM 306 HB2 B LEU A 18 ? -23.73330 17.10096 15.30314 0.636 11.74232 H ? A ? 17 HB2 1
   ATOM 307 HB3 B LEU A 18 ? -22.99723 16.78833 16.67642 0.636 11.74232 H ? A ? 17 HB3 1
   ATOM 308 HG B LEU A 18 ? -25.66051 17.29443 16.57682 0.636 13.56183 H ? A ? 17 HG 1
   ATOM 309 HD11 B LEU A 18 ? -25.80742 14.87821 16.33142 0.636 16.04238 H ? A ? 17 HD11 1
   ATOM 310 HD12 B LEU A 18 ? -24.88789 15.42236 15.15588 0.636 16.04238 H ? A ? 17 HD12 1
   ATOM 311 HD13 B LEU A 18 ? -24.22616 14.78539 16.45199 0.636 16.04238 H ? A ? 17 HD13 1
   ATOM 312 HD21 B LEU A 18 ? -25.95514 16.01395 18.47427 0.636 12.72123 H ? A ? 17 HD21 1
   ATOM 313 HD22 B LEU A 18 ? -24.38646 16.10656 18.70701 0.636 12.72123 H ? A ? 17 HD22 1
   ATOM 314 HD23 B LEU A 18 ? -25.26722 17.42854 18.69611 0.636 12.72123 H ? A ? 17 HD23 1
   ATOM 315 N A MET A 19 ? -21.87333 19.93609 14.99734 0.364 5.53395 N ? A ? 18 N 1
   ATOM 316 CA A MET A 19 ? -20.60563 20.59809 14.69210 0.364 4.52448 C ? A ? 18 CA 1
   ATOM 317 C A MET A 19 ? -20.50056 21.91777 15.43681 0.364 5.41417 C ? A ? 18 C 1
   ATOM 318 O A MET A 19 ? -19.43613 22.25050 15.97226 0.364 5.08231 O ? A ? 18 O 1
   ATOM 319 CB A MET A 19 ? -20.50384 20.88709 13.18588 0.364 6.28440 C ? A ? 18 CB 1
   ATOM 320 CG A MET A 19 ? -19.34268 20.20727 12.50853 0.364 8.43646 C ? A ? 18 CG 1
   ATOM 321 SD A MET A 19 ? -19.51596 20.34037 10.65426 0.364 7.83815 S ? A ? 18 SD 1
   ATOM 322 CE A MET A 19 ? -19.98564 22.02760 10.52237 0.364 10.35994 C ? A ? 18 CE 1
   ATOM 323 H A MET A 19 ? -22.35410 19.72958 14.31483 0.364 6.64168 H ? A ? 18 H 1
   ATOM 324 HA A MET A 19 ? -19.88592 20.00045 14.94851 0.364 5.43031 H ? A ? 18 HA 1
   ATOM 325 HB2 A MET A 19 ? -21.31720 20.58103 12.75500 0.364 7.54221 H ? A ? 18 HB2 1
   ATOM 326 HB3 A MET A 19 ? -20.40082 21.84323 13.05911 0.364 7.54221 H ? A ? 18 HB3 1
   ATOM 327 HG2 A MET A 19 ? -18.51361 20.63437 12.77521 0.364 10.12468 H ? A ? 18 HG2 1
   ATOM 328 HG3 A MET A 19 ? -19.32603 19.26876 12.75311 0.364 10.12468 H ? A ? 18 HG3 1
   ATOM 329 HE1 A MET A 19 ? -19.89237 22.31013 9.59912 0.364 12.43286 H ? A ? 18 HE1 1
   ATOM 330 HE2 A MET A 19 ? -20.90866 22.12152 10.80539 0.364 12.43286 H ? A ? 18 HE2 1
   ATOM 331 HE3 A MET A 19 ? -19.40923 22.56128 11.09143 0.364 12.43286 H ? A ? 18 HE3 1
   ATOM 332 N B MET A 19 ? -21.99174 19.26189 15.02590 0.636 9.64196 N ? A ? 18 N 1
   ATOM 333 CA B MET A 19 ? -20.68024 19.70909 14.63618 0.636 9.35425 C ? A ? 18 CA 1
   ATOM 334 C B MET A 19 ? -20.41253 21.03816 15.29602 0.636 10.12459 C ? A ? 18 C 1
   ATOM 335 O B MET A 19 ? -19.29950 21.30650 15.80632 0.636 10.92482 O ? A ? 18 O 1
   ATOM 336 CB B MET A 19 ? -20.70392 20.14407 13.16206 0.636 15.70042 C ? A ? 18 CB 1
   ATOM 337 CG B MET A 19 ? -20.26078 19.51037 12.46857 0.636 9.58467 C ? A ? 18 CG 1
   ATOM 338 SD B MET A 19 ? -20.53220 19.71838 10.63208 0.636 10.28463 S ? A ? 18 SD 1
   ATOM 339 CE B MET A 19 ? -19.58470 21.22905 10.22505 0.636 11.33853 C ? A ? 18 CE 1
   ATOM 340 H B MET A 19 ? -22.52020 19.12699 14.36097 0.636 11.57128 H ? A ? 18 H 1
   ATOM 341 HA B MET A 19 ? -20.05651 18.99198 14.83014 0.636 11.22604 H ? A ? 18 HA 1
   ATOM 342 HB2 B MET A 19 ? -21.63144 20.24511 12.89672 0.636 18.84144 H ? A ? 18 HB2 1
   ATOM 343 HB3 B MET A 19 ? -20.24527 20.99624 13.09610 0.636 18.84144 H ? A ? 18 HB3 1
   ATOM 344 HG2 B MET A 19 ? -19.30200 19.57735 12.59951 0.636 11.50254 H ? A ? 18 HG2 1
   ATOM 345 HG3 B MET A 19 ? -20.56205 18.61207 12.67641 0.636 11.50254 H ? A ? 18 HG3 1
   ATOM 346 HE1 B MET A 19 ? -19.62515 21.37880 9.26753 0.636 13.60718 H ? A ? 18 HE1 1
   ATOM 347 HE2 B MET A 19 ? -19.97510 21.98277 10.69451 0.636 13.60718 H ? A ? 18 HE2 1
   ATOM 348 HE3 B MET A 19 ? -18.66306 21.10806 10.50228 0.636 13.60718 H ? A ? 18 HE3 1
   ATOM 349 N A ALA A 20 ? -21.56070 22.73049 15.43500 0.364 6.01826 N ? A ? 19 N 1
   ATOM 350 CA A ALA A 20 ? -21.53973 24.00148 16.14404 0.364 5.13574 C ? A ? 19 CA 1
   ATOM 351 C A ALA A 20 ? -21.29254 23.81870 17.61775 0.364 6.61271 C ? A ? 19 C 1
   ATOM 352 O A ALA A 20 ? -20.54449 24.58227 18.21296 0.364 5.68978 O ? A ? 19 O 1
   ATOM 353 CB A ALA A 20 ? -22.84808 24.73917 15.92721 0.364 6.45056 C ? A ? 19 CB 1
   ATOM 354 H A ALA A 20 ? -22.30156 22.56620 15.03036 0.364 7.22285 H ? A ? 19 H 1
   ATOM 355 HA A ALA A 20 ? -20.81585 24.53656 15.78268 0.364 6.16383 H ? A ? 19 HA 1
   ATOM 356 HB1 A ALA A 20 ? -22.82286 25.57703 16.41533 0.364 7.74161 H ? A ? 19 HB1 1
   ATOM 357 HB2 A ALA A 20 ? -22.95992 24.91184 14.97928 0.364 7.74161 H ? A ? 19 HB2 1
   ATOM 358 HB3 A ALA A 20 ? -23.57825 24.18918 16.25165 0.364 7.74161 H ? A ? 19 HB3 1
   ATOM 359 N B ALA A 20 ? -21.36661 21.95490 15.19707 0.636 10.24733 N ? A ? 19 N 1
   ATOM 360 CA B ALA A 20 ? -21.25136 23.28093 15.74071 0.636 9.42646 C ? A ? 19 CA 1
   ATOM 361 C B ALA A 20 ? -21.02040 23.25824 17.21239 0.636 11.55243 C ? A ? 19 C 1
   ATOM 362 O B ALA A 20 ? -20.24914 24.10609 17.72078 0.636 11.22955 O ? A ? 19 O 1
   ATOM 363 CB B ALA A 20 ? -22.47002 24.12639 15.40737 0.636 11.39613 C ? A ? 19 CB 1
   ATOM 364 H B ALA A 20 ? -22.11878 21.82125 14.80215 0.636 12.29773 H ? A ? 19 H 1
   ATOM 365 HA B ALA A 20 ? -20.48452 23.70052 15.32023 0.636 11.31269 H ? A ? 19 HA 1
   ATOM 366 HB1 B ALA A 20 ? -22.33995 25.02068 15.75985 0.636 13.67630 H ? A ? 19 HB1 1
   ATOM 367 HB2 B ALA A 20 ? -22.57520 24.16270 14.44378 0.636 13.67630 H ? A ? 19 HB2 1
   ATOM 368 HB3 B ALA A 20 ? -23.25437 23.72270 15.81075 0.636 13.67630 H ? A ? 19 HB3 1
   ATOM 369 N A SER A 21 ? -21.89325 22.84479 18.24244 0.364 5.51997 N ? A ? 20 N 1
   ATOM 370 CA A SER A 21 ? -21.60305 22.57231 19.65135 0.364 5.88752 C ? A ? 20 CA 1
   ATOM 371 C A SER A 21 ? -20.15397 22.18082 19.87015 0.364 5.57033 C ? A ? 20 C 1
   ATOM 372 O A SER A 21 ? -19.50630 22.68322 20.79195 0.364 8.27945 O ? A ? 20 O 1
   ATOM 373 CB A SER A 21 ? -22.51280 21.43321 20.13255 0.364 9.31323 C ? A ? 20 CB 1
   ATOM 374 OG A SER A 21 ? -22.33919 21.19851 21.52607 0.364 10.30221 O ? A ? 20 OG 1
   ATOM 375 H A SER A 21 ? -22.47443 22.31846 17.88916 0.364 6.62490 H ? A ? 20 H 1
   ATOM 376 HA A SER A 21 ? -21.77545 23.37869 20.16215 0.364 7.06596 H ? A ? 20 HA 1
   ATOM 377 HB2 A SER A 21 ? -23.43710 21.67594 19.96623 0.364 11.17681 H ? A ? 20 HB2 1
   ATOM 378 HB3 A SER A 21 ? -22.28956 20.62423 19.64613 0.364 11.17681 H ? A ? 20 HB3 1
   ATOM 379 HG A SER A 21 ? -21.69328 21.65098 21.81533 0.364 12.36359 H ? A ? 20 HG 1
   ATOM 380 N B SER A 21 ? -21.66935 22.34030 17.93290 0.636 9.50257 N ? A ? 20 N 1
   ATOM 381 CA B SER A 21 ? -21.44961 22.30427 19.39248 0.636 11.97231 C ? A ? 20 CA 1
   ATOM 382 C B SER A 21 ? -20.03121 21.81547 19.74813 0.636 10.68071 C ? A ? 20 C 1
   ATOM 383 O B SER A 21 ? -19.40456 22.31392 20.72198 0.636 8.69011 O ? A ? 20 O 1
   ATOM 384 CB B SER A 21 ? -22.51459 21.47434 20.08634 0.636 9.29705 C ? A ? 20 CB 1
   ATOM 385 OG B SER A 21 ? -22.24157 21.26272 21.46978 0.636 8.72881 O ? A ? 20 OG 1
   ATOM 386 H B SER A 21 ? -22.21624 21.75350 17.62277 0.636 11.40402 H ? A ? 20 H 1
   ATOM 387 HA B SER A 21 ? -21.53603 23.20960 19.72983 0.636 14.36772 H ? A ? 20 HA 1
   ATOM 388 HB2 B SER A 21 ? -23.36375 21.93662 20.00801 0.636 11.15739 H ? A ? 20 HB2 1
   ATOM 389 HB3 B SER A 21 ? -22.56530 20.61072 19.64761 0.636 11.15739 H ? A ? 20 HB3 1
   ATOM 390 HG B SER A 21 ? -21.66418 21.81170 21.73593 0.636 10.47551 H ? A ? 20 HG 1
   ATOM 391 N A HIS A 22 ? -19.63084 21.24504 19.07216 0.364 6.92798 N ? A ? 21 N 1
   ATOM 392 CA A HIS A 22 ? -18.30191 20.71180 19.36601 0.364 7.84802 C ? A ? 21 CA 1
   ATOM 393 C A HIS A 22 ? -17.21592 21.69547 18.96738 0.364 6.25221 C ? A ? 21 C 1
   ATOM 394 O A HIS A 22 ? -16.17310 21.79666 19.61438 0.364 7.04133 O ? A ? 21 O 1
   ATOM 395 CB A HIS A 22 ? -18.03656 19.33560 18.71355 0.364 6.00522 C ? A ? 21 CB 1
   ATOM 396 CG A HIS A 22 ? -18.69067 18.18464 19.43725 0.364 7.09961 C ? A ? 21 CG 1
   ATOM 397 ND1 A HIS A 22 ? -18.06383 17.48258 20.44972 0.364 8.48108 N ? A ? 21 ND1 1
   ATOM 398 CD2 A HIS A 22 ? -19.93624 17.64620 19.33772 0.364 8.88635 C ? A ? 21 CD2 1
   ATOM 399 CE1 A HIS A 22 ? -18.88758 16.56867 20.94370 0.364 9.66022 C ? A ? 21 CE1 1
   ATOM 400 NE2 A HIS A 22 ? -20.04277 16.67617 20.30871 0.364 9.46155 N ? A ? 21 NE2 1
   ATOM 401 H A HIS A 22 ? -20.01335 20.91343 18.37695 0.364 8.31451 H ? A ? 21 H 1
   ATOM 402 HA A HIS A 22 ? -18.27255 20.56354 20.32416 0.364 9.41856 H ? A ? 21 HA 1
   ATOM 403 HB2 A HIS A 22 ? -18.38014 19.34885 17.80653 0.364 7.20720 H ? A ? 21 HB2 1
   ATOM 404 HB3 A HIS A 22 ? -17.08014 19.17416 18.70370 0.364 7.20720 H ? A ? 21 HB3 1
   ATOM 405 HD2 A HIS A 22 ? -20.59405 17.88866 18.72667 0.364 10.66455 H ? A ? 21 HD2 1
   ATOM 406 HE1 A HIS A 22 ? -18.68831 15.95960 21.61766 0.364 11.59320 H ? A ? 21 HE1 1
   ATOM 407 HE2 A HIS A 22 ? -20.74828 16.21365 20.47582 0.364 11.35480 H ? A ? 21 HE2 1
   ATOM 408 N B HIS A 22 ? -19.53238 20.81875 19.01774 0.636 8.16732 N ? A ? 21 N 1
   ATOM 409 CA B HIS A 22 ? -18.15563 20.33657 19.18130 0.636 8.17212 C ? A ? 21 CA 1
   ATOM 410 C B HIS A 22 ? -17.10923 21.37400 18.78299 0.636 8.77970 C ? A ? 21 C 1
   ATOM 411 O B HIS A 22 ? -16.01960 21.31297 19.41641 0.636 8.49062 O ? A ? 21 O 1
   ATOM 412 CB B HIS A 22 ? -18.02564 18.96748 18.60330 0.636 10.14272 C ? A ? 21 CB 1
   ATOM 413 CG B HIS A 22 ? -18.73667 17.98766 19.44456 0.636 9.08034 C ? A ? 21 CG 1
   ATOM 414 ND1 B HIS A 22 ? -18.16080 17.47844 20.57127 0.636 8.84318 N ? A ? 21 ND1 1
   ATOM 415 CD2 B HIS A 22 ? -20.02326 17.55036 19.45134 0.636 8.22515 C ? A ? 21 CD2 1
   ATOM 416 CE1 B HIS A 22 ? -19.04537 16.71628 21.18084 0.636 7.30760 C ? A ? 21 CE1 1
   ATOM 417 NE2 B HIS A 22 ? -20.16446 16.70482 20.49871 0.636 7.87492 N ? A ? 21 NE2 1
   ATOM 418 H B HIS A 22 ? -19.97338 20.39695 18.41176 0.636 9.80173 H ? A ? 21 H 1
   ATOM 419 HA B HIS A 22 ? -17.93472 20.18989 20.11436 0.636 9.80748 H ? A ? 21 HA 1
   ATOM 420 HB2 B HIS A 22 ? -18.41244 18.95193 17.71389 0.636 12.17220 H ? A ? 21 HB2 1
   ATOM 421 HB3 B HIS A 22 ? -17.08877 18.71955 18.56200 0.636 12.17220 H ? A ? 21 HB3 1
   ATOM 422 HD2 B HIS A 22 ? -20.68717 17.78908 18.84543 0.636 9.87112 H ? A ? 21 HD2 1
   ATOM 423 HE1 B HIS A 22 ? -18.89808 16.25580 21.97530 0.636 8.77006 H ? A ? 21 HE1 1
   ATOM 424 HE2 B HIS A 22 ? -20.86501 16.24168 20.68397 0.636 9.45084 H ? A ? 21 HE2 1
   ATOM 425 N . PHE A 23 ? -17.41316 22.36567 17.89490 1.000 9.07193 N ? A ? 22 N 1
   ATOM 426 CA . PHE A 23 ? -16.54013 23.47551 17.60695 1.000 8.76955 C ? A ? 22 CA 1
   ATOM 427 C . PHE A 23 ? -16.66929 24.57786 18.63723 1.000 9.52554 C ? A ? 22 C 1
   ATOM 428 O . PHE A 23 ? -15.65147 24.95174 19.29290 1.000 9.85821 O ? A ? 22 O 1
   ATOM 429 HA . PHE A 23 ? -15.60506 23.22679 17.67533 1.000 10.52440 H ? A ? 22 HA 1
   ATOM 430 CB A PHE A 23 ? -16.75559 23.88419 16.13970 0.593 9.30722 C ? A ? 22 CB 1
   ATOM 431 CG A PHE A 23 ? -15.82276 24.94083 15.72291 0.593 8.46272 C ? A ? 22 CG 1
   ATOM 432 CD1 A PHE A 23 ? -14.46358 24.71352 15.51962 0.593 10.22290 C ? A ? 22 CD1 1
   ATOM 433 CD2 A PHE A 23 ? -16.30317 26.20018 15.53087 0.593 8.79831 C ? A ? 22 CD2 1
   ATOM 434 CE1 A PHE A 23 ? -13.65003 25.74192 15.14305 0.593 10.05929 C ? A ? 22 CE1 1
   ATOM 435 CE2 A PHE A 23 ? -15.50480 27.25810 15.12683 0.593 10.84727 C ? A ? 22 CE2 1
   ATOM 436 CZ A PHE A 23 ? -14.13637 27.02953 14.98413 0.593 10.33337 C ? A ? 22 CZ 1
   ATOM 437 H A PHE A 23 ? -18.03051 22.21480 17.31550 0.364 10.88725 H ? A ? 22 H 1
   ATOM 438 HB2 A PHE A 23 ? -16.61498 23.11222 15.56945 0.593 11.16960 H ? A ? 22 HB2 1
   ATOM 439 HB3 A PHE A 23 ? -17.66020 24.21687 16.03062 0.593 11.16960 H ? A ? 22 HB3 1
   ATOM 440 HD1 A PHE A 23 ? -14.11102 23.86147 15.64049 0.593 12.26842 H ? A ? 22 HD1 1
   ATOM 441 HD2 A PHE A 23 ? -17.20798 26.35743 15.67748 0.593 10.55891 H ? A ? 22 HD2 1
   ATOM 442 HE1 A PHE A 23 ? -12.74815 25.57482 14.98947 0.593 12.07208 H ? A ? 22 HE1 1
   ATOM 443 HE2 A PHE A 23 ? -15.87062 28.09586 14.95585 0.593 13.01767 H ? A ? 22 HE2 1
   ATOM 444 HZ A PHE A 23 ? -13.55895 27.73092 14.78527 0.593 12.40099 H ? A ? 22 HZ 1
   ATOM 445 CB B PHE A 23 ? -16.88734 24.04095 16.19664 0.407 8.86836 C ? A ? 22 CB 1
   ATOM 446 CG B PHE A 23 ? -16.12637 25.30584 15.81494 0.407 7.06337 C ? A ? 22 CG 1
   ATOM 447 CD1 B PHE A 23 ? -14.80833 25.19262 15.40116 0.407 7.95927 C ? A ? 22 CD1 1
   ATOM 448 CD2 B PHE A 23 ? -16.68400 26.57734 15.89308 0.407 11.50303 C ? A ? 22 CD2 1
   ATOM 449 CE1 B PHE A 23 ? -14.02363 26.31119 15.02701 0.407 7.35494 C ? A ? 22 CE1 1
   ATOM 450 CE2 B PHE A 23 ? -15.91586 27.67713 15.53643 0.407 12.19381 C ? A ? 22 CE2 1
   ATOM 451 CZ B PHE A 23 ? -14.60695 27.55326 15.13626 0.407 9.87323 C ? A ? 22 CZ 1
   ATOM 452 H B PHE A 23 ? -18.14664 22.39526 17.44687 0.636 10.88725 H ? A ? 22 H 1
   ATOM 453 HB2 B PHE A 23 ? -16.68077 23.36401 15.53333 0.407 10.64297 H ? A ? 22 HB2 1
   ATOM 454 HB3 B PHE A 23 ? -17.83407 24.25080 16.17280 0.407 10.64297 H ? A ? 22 HB3 1
   ATOM 455 HD1 B PHE A 23 ? -14.42297 24.34687 15.36775 0.407 9.55207 H ? A ? 22 HD1 1
   ATOM 456 HD2 B PHE A 23 ? -17.56120 26.68952 16.18089 0.407 13.80457 H ? A ? 22 HD2 1
   ATOM 457 HE1 B PHE A 23 ? -13.15134 26.21063 14.72057 0.407 8.82687 H ? A ? 22 HE1 1
   ATOM 458 HE2 B PHE A 23 ? -16.29880 28.52399 15.56929 0.407 14.63351 H ? A ? 22 HE2 1
   ATOM 459 HZ B PHE A 23 ? -14.11131 28.31470 14.93766 0.407 11.84882 H ? A ? 22 HZ 1
   ATOM 460 N . GLY A 24 ? -17.85762 25.09127 18.87072 1.000 9.83606 N ? A ? 23 N 1
   ATOM 461 CA . GLY A 24 ? -18.02860 26.25365 19.67329 1.000 11.37338 C ? A ? 23 CA 1
   ATOM 462 C . GLY A 24 ? -17.68202 26.02183 21.12598 1.000 9.98431 C ? A ? 23 C 1
   ATOM 463 O . GLY A 24 ? -17.28134 26.97826 21.82134 1.000 10.65352 O ? A ? 23 O 1
   ATOM 464 H . GLY A 24 ? -18.59429 24.77054 18.56405 1.000 11.80421 H ? A ? 23 H 1
   ATOM 465 HA2 . GLY A 24 ? -17.45874 26.96167 19.33437 1.000 13.64900 H ? A ? 23 HA2 1
   ATOM 466 HA3 . GLY A 24 ? -18.95350 26.54182 19.62399 1.000 13.64900 H ? A ? 23 HA3 1
   ATOM 467 N . ARG A 25 ? -17.83578 24.81340 21.62174 1.000 9.37933 N ? A ? 24 N 1
   ATOM 468 CA . ARG A 25 ? -17.51567 24.56364 23.03310 1.000 9.69092 C ? A ? 24 CA 1
   ATOM 469 C . ARG A 25 ? -16.05079 24.77847 23.32505 1.000 9.24400 C ? A ? 24 C 1
   ATOM 470 O . ARG A 25 ? -15.67313 24.85877 24.53072 1.000 9.92253 O ? A ? 24 O 1
   ATOM 471 CB . ARG A 25 ? -17.92918 23.19756 23.47140 1.000 10.10417 C ? A ? 24 CB 1
   ATOM 472 CG . ARG A 25 ? -17.14277 22.07011 22.90772 1.000 9.27344 C ? A ? 24 CG 1
   ATOM 473 CD . ARG A 25 ? -17.58152 20.69452 23.33577 1.000 9.84627 C ? A ? 24 CD 1
   ATOM 474 NE . ARG A 25 ? -18.97008 20.39795 22.94648 1.000 8.59362 N ? A ? 24 NE 1
   ATOM 475 CZ . ARG A 25 ? -19.68610 19.42895 23.45856 1.000 9.35962 C ? A ? 24 CZ 1
   ATOM 476 NH1 . ARG A 25 ? -19.18054 18.57466 24.33305 1.000 9.98771 N ? A ? 24 NH1 1
   ATOM 477 NH2 . ARG A 25 ? -20.98941 19.29613 23.14288 1.000 10.07934 N ? A ? 24 NH2 1
   ATOM 478 H . ARG A 25 ? -18.11627 24.12876 21.18335 1.000 11.25614 H ? A ? 24 H 1
   ATOM 479 HA . ARG A 25 ? -18.03580 25.18508 23.56619 1.000 11.63004 H ? A ? 24 HA 1
   ATOM 480 HB2 . ARG A 25 ? -17.84689 23.15060 24.43676 1.000 12.12595 H ? A ? 24 HB2 1
   ATOM 481 HB3 . ARG A 25 ? -18.85344 23.06174 23.21023 1.000 12.12595 H ? A ? 24 HB3 1
   ATOM 482 HG2 . ARG A 25 ? -17.20841 22.10494 21.94057 1.000 11.12907 H ? A ? 24 HG2 1
   ATOM 483 HG3 . ARG A 25 ? -16.21816 22.17524 23.18148 1.000 11.12907 H ? A ? 24 HG3 1
   ATOM 484 HD2 . ARG A 25 ? -17.00523 20.03424 22.92004 1.000 11.81647 H ? A ? 24 HD2 1
   ATOM 485 HD3 . ARG A 25 ? -17.51937 20.62811 24.30149 1.000 11.81647 H ? A ? 24 HD3 1
   ATOM 486 HE . ARG A 25 ? -19.33393 20.89269 22.34445 1.000 10.31328 H ? A ? 24 HE 1
   ATOM 487 HH11 . ARG A 25 ? -18.35998 18.64724 24.58008 1.000 11.98620 H ? A ? 24 HH11 1
   ATOM 488 HH12 . ARG A 25 ? -19.67244 17.94673 24.65450 1.000 11.98620 H ? A ? 24 HH12 1
   ATOM 489 HH21 . ARG A 25 ? -21.35905 19.85120 22.59987 1.000 12.09615 H ? A ? 24 HH21 1
   ATOM 490 HH22 . ARG A 25 ? -21.45153 18.65629 23.48442 1.000 12.09615 H ? A ? 24 HH22 1
   ATOM 491 N B MET A 26 ? -15.20304 24.76353 22.28896 0.561 9.55263 N ? A ? 25 N 1
   ATOM 492 CA B MET A 26 ? -13.78964 24.98499 22.56312 0.561 9.37519 C ? A ? 25 CA 1
   ATOM 493 C B MET A 26 ? -13.38378 26.45137 22.58647 0.561 9.18425 C ? A ? 25 C 1
   ATOM 494 O B MET A 26 ? -12.24082 26.75955 22.97378 0.561 9.42215 O ? A ? 25 O 1
   ATOM 495 CB B MET A 26 ? -12.92171 24.24963 21.55825 0.561 8.82496 C ? A ? 25 CB 1
   ATOM 496 CG B MET A 26 ? -13.01393 22.74494 21.61940 0.561 9.25717 C ? A ? 25 CG 1
   ATOM 497 SD B MET A 26 ? -11.92040 21.86966 20.51471 0.561 8.27088 S ? A ? 25 SD 1
   ATOM 498 CE B MET A 26 ? -12.76169 22.20557 18.98640 0.561 9.56050 C ? A ? 25 CE 1
   ATOM 499 H B MET A 26 ? -15.41645 24.63389 21.46601 0.561 11.46409 H ? A ? 25 H 1
   ATOM 500 HA B MET A 26 ? -13.61037 24.60805 23.43871 0.561 11.25117 H ? A ? 25 HA 1
   ATOM 501 HB2 B MET A 26 ? -13.18720 24.52157 20.66581 0.561 10.59089 H ? A ? 25 HB2 1
   ATOM 502 HB3 B MET A 26 ? -11.99580 24.49127 21.71703 0.561 10.59089 H ? A ? 25 HB3 1
   ATOM 503 HG2 B MET A 26 ? -12.80075 22.46136 22.52219 0.561 11.10954 H ? A ? 25 HG2 1
   ATOM 504 HG3 B MET A 26 ? -13.92093 22.48422 21.39521 0.561 11.10954 H ? A ? 25 HG3 1
   ATOM 505 HE1 B MET A 26 ? -12.28715 21.76856 18.26202 0.561 11.47354 H ? A ? 25 HE1 1
   ATOM 506 HE2 B MET A 26 ? -13.66746 21.86305 19.04261 0.561 11.47354 H ? A ? 25 HE2 1
   ATOM 507 HE3 B MET A 26 ? -12.77910 23.16424 18.83958 0.561 11.47354 H ? A ? 25 HE3 1
   ATOM 508 N C MET A 26 ? -15.20038 24.98788 22.30392 0.439 9.08056 N ? A ? 25 N 1
   ATOM 509 CA C MET A 26 ? -13.77240 25.26811 22.54231 0.439 7.73367 C ? A ? 25 CA 1
   ATOM 510 C C MET A 26 ? -13.46307 26.74308 22.58939 0.439 10.52468 C ? A ? 25 C 1
   ATOM 511 O C MET A 26 ? -12.32626 27.13608 22.90912 0.439 8.98895 O ? A ? 25 O 1
   ATOM 512 CB C MET A 26 ? -12.93171 24.61010 21.46235 0.439 9.83434 C ? A ? 25 CB 1
   ATOM 513 CG C MET A 26 ? -13.03563 23.10160 21.48936 0.439 8.54121 C ? A ? 25 CG 1
   ATOM 514 SD C MET A 26 ? -11.90691 22.30963 20.30983 0.439 8.75355 S ? A ? 25 SD 1
   ATOM 515 CE C MET A 26 ? -12.70798 22.68258 18.70918 0.439 7.17560 C ? A ? 25 CE 1
   ATOM 516 H C MET A 26 ? -15.42476 24.97282 21.47385 0.439 10.89761 H ? A ? 25 H 1
   ATOM 517 HA C MET A 26 ? -13.52260 24.87719 23.39418 0.439 9.28134 H ? A ? 25 HA 1
   ATOM 518 HB2 C MET A 26 ? -13.23420 24.91794 20.59366 0.439 11.80214 H ? A ? 25 HB2 1
   ATOM 519 HB3 C MET A 26 ? -12.00137 24.85092 21.59418 0.439 11.80214 H ? A ? 25 HB3 1
   ATOM 520 HG2 C MET A 26 ? -12.81385 22.78399 22.37865 0.439 10.25040 H ? A ? 25 HG2 1
   ATOM 521 HG3 C MET A 26 ? -13.94173 22.84167 21.26063 0.439 10.25040 H ? A ? 25 HG3 1
   ATOM 522 HE1 C MET A 26 ? -12.23522 22.21504 18.00292 0.439 8.61165 H ? A ? 25 HE1 1
   ATOM 523 HE2 C MET A 26 ? -13.63114 22.38657 18.74149 0.439 8.61165 H ? A ? 25 HE2 1
   ATOM 524 HE3 C MET A 26 ? -12.67266 23.63939 18.55372 0.439 8.61165 H ? A ? 25 HE3 1
   ATOM 525 N B THR A 27 ? -14.25617 27.39716 22.20679 0.561 11.71129 N ? A ? 26 N 1
   ATOM 526 CA B THR A 27 ? -13.90893 28.82214 22.20704 0.561 10.77441 C ? A ? 26 CA 1
   ATOM 527 C B THR A 27 ? -13.32839 29.30117 23.53482 0.561 9.28499 C ? A ? 26 C 1
   ATOM 528 O B THR A 27 ? -12.30532 29.99760 23.52073 0.561 9.63464 O ? A ? 26 O 1
   ATOM 529 CB B THR A 27 ? -15.09208 29.73874 21.81845 0.561 9.00162 C ? A ? 26 CB 1
   ATOM 530 OG1 B THR A 27 ? -15.58705 29.32746 20.53018 0.561 10.82207 O ? A ? 26 OG1 1
   ATOM 531 CG2 B THR A 27 ? -14.70968 31.20511 21.66567 0.561 14.11351 C ? A ? 26 CG2 1
   ATOM 532 H B THR A 27 ? -15.05912 27.23710 21.94364 0.561 14.05449 H ? A ? 26 H 1
   ATOM 533 HA B THR A 27 ? -13.24707 28.90091 21.50233 0.561 12.93023 H ? A ? 26 HA 1
   ATOM 534 HB B THR A 27 ? -15.74852 29.66731 22.52900 0.561 10.80288 H ? A ? 26 HB 1
   ATOM 535 HG1 B THR A 27 ? -15.90909 28.55325 20.57993 0.561 12.98742 H ? A ? 26 HG1 1
   ATOM 536 HG21 B THR A 27 ? -15.44914 31.70265 21.28284 0.561 16.93715 H ? A ? 26 HG21 1
   ATOM 537 HG22 B THR A 27 ? -14.49098 31.58293 22.53188 0.561 16.93715 H ? A ? 26 HG22 1
   ATOM 538 HG23 B THR A 27 ? -13.93905 31.28797 21.08244 0.561 16.93715 H ? A ? 26 HG23 1
   ATOM 539 N C THR A 27 ? -14.44703 27.57433 22.35259 0.439 6.67709 N ? A ? 26 N 1
   ATOM 540 CA C THR A 27 ? -14.19272 28.99675 22.37755 0.439 7.42412 C ? A ? 26 CA 1
   ATOM 541 C C THR A 27 ? -13.59175 29.43836 23.68748 0.439 9.37333 C ? A ? 26 C 1
   ATOM 542 O C THR A 27 ? -12.65146 30.23102 23.64807 0.439 9.30783 O ? A ? 26 O 1
   ATOM 543 CB C THR A 27 ? -15.47750 29.77167 22.06333 0.439 10.48712 C ? A ? 26 CB 1
   ATOM 544 OG1 C THR A 27 ? -16.02566 29.35709 20.79868 0.439 10.27679 O ? A ? 26 OG1 1
   ATOM 545 CG2 C THR A 27 ? -15.23709 31.25021 22.07410 0.439 13.08998 C ? A ? 26 CG2 1
   ATOM 546 H C THR A 27 ? -15.25839 27.34931 22.17748 0.439 8.01344 H ? A ? 26 H 1
   ATOM 547 HA C THR A 27 ? -13.55953 29.20455 21.67271 0.439 8.90988 H ? A ? 26 HA 1
   ATOM 548 HB C THR A 27 ? -16.13216 29.57971 22.75288 0.439 12.58548 H ? A ? 26 HB 1
   ATOM 549 HG1 C THR A 27 ? -16.09686 28.52040 20.77685 0.439 12.33309 H ? A ? 26 HG1 1
   ATOM 550 HG21 C THR A 27 ? -15.98073 31.71031 21.65433 0.439 15.70891 H ? A ? 26 HG21 1
   ATOM 551 HG22 C THR A 27 ? -15.14707 31.56505 22.98715 0.439 15.70891 H ? A ? 26 HG22 1
   ATOM 552 HG23 C THR A 27 ? -14.42373 31.45762 21.58796 0.439 15.70891 H ? A ? 26 HG23 1
   ATOM 553 N B PRO A 28 ? -13.96517 29.05613 24.68538 0.561 8.79717 N ? A ? 27 N 1
   ATOM 554 CA B PRO A 28 ? -13.41386 29.60168 25.94790 0.561 9.39052 C ? A ? 27 CA 1
   ATOM 555 C B PRO A 28 ? -12.03404 29.10023 26.20316 0.561 9.01463 C ? A ? 27 C 1
   ATOM 556 O B PRO A 28 ? -11.31137 29.76852 26.98286 0.561 8.59038 O ? A ? 27 O 1
   ATOM 557 CB B PRO A 28 ? -14.34730 29.07617 27.03395 0.561 11.10203 C ? A ? 27 CB 1
   ATOM 558 CG B PRO A 28 ? -15.63887 28.87124 26.31999 0.561 9.62464 C ? A ? 27 CG 1
   ATOM 559 CD B PRO A 28 ? -15.23173 28.34533 24.94088 0.561 11.03088 C ? A ? 27 CD 1
   ATOM 560 HA B PRO A 28 ? -13.45500 30.57059 25.92749 0.561 11.26957 H ? A ? 27 HA 1
   ATOM 561 HB2 B PRO A 28 ? -14.00759 28.24168 27.39328 0.561 13.32337 H ? A ? 27 HB2 1
   ATOM 562 HB3 B PRO A 28 ? -14.43777 29.73074 27.74406 0.561 13.32337 H ? A ? 27 HB3 1
   ATOM 563 HG2 B PRO A 28 ? -16.18240 28.22271 26.79422 0.561 11.55051 H ? A ? 27 HG2 1
   ATOM 564 HG3 B PRO A 28 ? -16.11563 29.71272 26.24573 0.561 11.55051 H ? A ? 27 HG3 1
   ATOM 565 HD2 B PRO A 28 ? -15.09368 27.38543 24.96167 0.561 13.23800 H ? A ? 27 HD2 1
   ATOM 566 HD3 B PRO A 28 ? -15.89768 28.57033 24.27246 0.561 13.23800 H ? A ? 27 HD3 1
   ATOM 567 N C PRO A 28 ? -14.03636 28.96026 24.83908 0.439 9.61222 N ? A ? 27 N 1
   ATOM 568 CA C PRO A 28 ? -13.34257 29.41472 26.07222 0.439 9.95898 C ? A ? 27 CA 1
   ATOM 569 C C PRO A 28 ? -11.87524 28.92051 26.17351 0.439 9.74118 C ? A ? 27 C 1
   ATOM 570 O C PRO A 28 ? -10.95394 29.61796 26.67004 0.439 8.53742 O ? A ? 27 O 1
   ATOM 571 CB C PRO A 28 ? -14.25225 28.89697 27.20076 0.439 9.27902 C ? A ? 27 CB 1
   ATOM 572 CG C PRO A 28 ? -15.63890 28.66161 26.53225 0.439 12.77023 C ? A ? 27 CG 1
   ATOM 573 CD C PRO A 28 ? -15.29027 28.20433 25.13528 0.439 9.08210 C ? A ? 27 CD 1
   ATOM 574 HA C PRO A 28 ? -13.33410 30.38372 26.11541 0.439 11.95171 H ? A ? 27 HA 1
   ATOM 575 HB2 C PRO A 28 ? -13.89495 28.06895 27.55801 0.439 11.13576 H ? A ? 27 HB2 1
   ATOM 576 HB3 C PRO A 28 ? -14.31524 29.56192 27.90417 0.439 11.13576 H ? A ? 27 HB3 1
   ATOM 577 HG2 C PRO A 28 ? -16.13171 27.97821 27.01288 0.439 15.32521 H ? A ? 27 HG2 1
   ATOM 578 HG3 C PRO A 28 ? -16.14776 29.48724 26.51490 0.439 15.32521 H ? A ? 27 HG3 1
   ATOM 579 HD2 C PRO A 28 ? -15.13162 27.24764 25.11324 0.439 10.89946 H ? A ? 27 HD2 1
   ATOM 580 HD3 C PRO A 28 ? -15.99251 28.43869 24.50852 0.439 10.89946 H ? A ? 27 HD3 1
   ATOM 581 N B VAL A 29 ? -11.68685 27.89119 25.71020 0.561 9.60138 N ? A ? 28 N 1
   ATOM 582 CA B VAL A 29 ? -10.35673 27.32719 25.86240 0.561 9.71123 C ? A ? 28 CA 1
   ATOM 583 C B VAL A 29 ? -9.37203 28.05933 24.95782 0.561 9.79233 C ? A ? 28 C 1
   ATOM 584 O B VAL A 29 ? -8.30625 28.54393 25.41596 0.561 9.05584 O ? A ? 28 O 1
   ATOM 585 CB B VAL A 29 ? -10.38637 25.81866 25.60592 0.561 9.16057 C ? A ? 28 CB 1
   ATOM 586 CG1 B VAL A 29 ? -8.94831 25.23386 25.65868 0.561 10.78358 C ? A ? 28 CG1 1
   ATOM 587 CG2 B VAL A 29 ? -11.25187 25.05557 26.63825 0.561 10.18534 C ? A ? 28 CG2 1
   ATOM 588 H B VAL A 29 ? -12.22351 27.37750 25.27693 0.561 11.52259 H ? A ? 28 H 1
   ATOM 589 HA B VAL A 29 ? -10.05820 27.45442 26.77651 0.561 11.65442 H ? A ? 28 HA 1
   ATOM 590 HB B VAL A 29 ? -10.77696 25.69424 24.72679 0.561 10.99362 H ? A ? 28 HB 1
   ATOM 591 HG11 B VAL A 29 ? -9.00144 24.26539 25.67006 0.561 12.94123 H ? A ? 28 HG11 1
   ATOM 592 HG12 B VAL A 29 ? -8.45841 25.52907 24.87525 0.561 12.94123 H ? A ? 28 HG12 1
   ATOM 593 HG13 B VAL A 29 ? -8.50796 25.55045 26.46289 0.561 12.94123 H ? A ? 28 HG13 1
   ATOM 594 HG21 B VAL A 29 ? -11.19355 24.10432 26.45762 0.561 12.22334 H ? A ? 28 HG21 1
   ATOM 595 HG22 B VAL A 29 ? -10.91946 25.24395 27.52983 0.561 12.22334 H ? A ? 28 HG22 1
   ATOM 596 HG23 B VAL A 29 ? -12.17223 25.35149 26.55900 0.561 12.22334 H ? A ? 28 HG23 1
   ATOM 597 N C VAL A 29 ? -11.60582 27.71284 25.72570 0.439 8.98347 N ? A ? 28 N 1
   ATOM 598 CA C VAL A 29 ? -10.24661 27.16981 25.76974 0.439 8.16112 C ? A ? 28 CA 1
   ATOM 599 C C VAL A 29 ? -9.29599 27.96369 24.89982 0.439 9.70018 C ? A ? 28 C 1
   ATOM 600 O C VAL A 29 ? -8.14882 28.29266 25.30712 0.439 9.20927 O ? A ? 28 O 1
   ATOM 601 CB C VAL A 29 ? -10.25522 25.70101 25.38603 0.439 8.63951 C ? A ? 28 CB 1
   ATOM 602 CG1 C VAL A 29 ? -8.83421 25.24777 25.39271 0.439 9.35503 C ? A ? 28 CG1 1
   ATOM 603 CG2 C VAL A 29 ? -11.07692 24.99074 26.36400 0.439 8.89275 C ? A ? 28 CG2 1
   ATOM 604 H C VAL A 29 ? -12.18733 27.17677 25.38795 0.439 10.78110 H ? A ? 28 H 1
   ATOM 605 HA C VAL A 29 ? -9.92791 27.25079 26.68230 0.439 9.79428 H ? A ? 28 HA 1
   ATOM 606 HB C VAL A 29 ? -10.62986 25.52676 24.50843 0.439 10.36835 H ? A ? 28 HB 1
   ATOM 607 HG11 C VAL A 29 ? -8.81161 24.27879 25.35441 0.439 11.22697 H ? A ? 28 HG11 1
   ATOM 608 HG12 C VAL A 29 ? -8.38038 25.62000 24.62045 0.439 11.22697 H ? A ? 28 HG12 1
   ATOM 609 HG13 C VAL A 29 ? -8.40805 25.55663 26.20750 0.439 11.22697 H ? A ? 28 HG13 1
   ATOM 610 HG21 C VAL A 29 ? -11.07549 24.04463 26.15002 0.439 10.67223 H ? A ? 28 HG21 1
   ATOM 611 HG22 C VAL A 29 ? -10.70564 25.13022 27.24921 0.439 10.67223 H ? A ? 28 HG22 1
   ATOM 612 HG23 C VAL A 29 ? -11.98226 25.33693 26.32671 0.439 10.67223 H ? A ? 28 HG23 1
   ATOM 613 N . VAL A 30 ? -9.72863 28.27656 23.68203 1.000 10.36372 N ? A ? 29 N 1
   ATOM 614 CA . VAL A 30 ? -8.86091 29.01801 22.81756 1.000 10.29748 C ? A ? 29 CA 1
   ATOM 615 C . VAL A 30 ? -8.62675 30.41685 23.33040 1.000 11.81952 C ? A ? 29 C 1
   ATOM 616 O . VAL A 30 ? -7.49822 30.94345 23.16249 1.000 15.12669 O ? A ? 29 O 1
   ATOM 617 HA . VAL A 30 ? -7.98288 28.60579 22.81101 1.000 12.35791 H ? A ? 29 HA 1
   ATOM 618 CB A VAL A 30 ? -9.39127 28.97490 21.35771 0.538 15.34949 C ? A ? 29 CB 1
   ATOM 619 CG1 A VAL A 30 ? -8.98773 27.65038 20.73790 0.538 15.03937 C ? A ? 29 CG1 1
   ATOM 620 CG2 A VAL A 30 ? -10.81325 29.23122 21.25321 0.538 32.46034 C ? A ? 29 CG2 1
   ATOM 621 HB A VAL A 30 ? -8.98827 29.69901 20.85356 0.538 18.42033 H ? A ? 29 HB 1
   ATOM 622 HG11 A VAL A 30 ? -9.30347 27.62146 19.82118 0.538 18.04819 H ? A ? 29 HG11 1
   ATOM 623 HG12 A VAL A 30 ? -8.02093 27.57415 20.75731 0.538 18.04819 H ? A ? 29 HG12 1
   ATOM 624 HG13 A VAL A 30 ? -9.38678 26.92834 21.24812 0.538 18.04819 H ? A ? 29 HG13 1
   ATOM 625 HG21 A VAL A 30 ? -11.04415 29.35434 20.31917 0.538 38.95335 H ? A ? 29 HG21 1
   ATOM 626 HG22 A VAL A 30 ? -11.29821 28.47391 21.61678 0.538 38.95335 H ? A ? 29 HG22 1
   ATOM 627 HG23 A VAL A 30 ? -11.02734 30.03306 21.75533 0.538 38.95335 H ? A ? 29 HG23 1
   ATOM 628 CB B VAL A 30 ? -9.33392 28.97785 21.34939 0.462 15.98517 C ? A ? 29 CB 1
   ATOM 629 CG1 B VAL A 30 ? -9.72626 27.64589 20.90141 0.462 11.82776 C ? A ? 29 CG1 1
   ATOM 630 CG2 B VAL A 30 ? -10.39308 29.93373 21.07702 0.462 20.62547 C ? A ? 29 CG2 1
   ATOM 631 H B VAL A 30 ? -10.45786 28.00252 23.31771 0.561 12.43740 H ? A ? 29 H 1
   ATOM 632 HB B VAL A 30 ? -8.55773 29.23521 20.82767 0.462 19.18314 H ? A ? 29 HB 1
   ATOM 633 HG11 B VAL A 30 ? -9.83705 27.65668 19.93782 0.462 14.19425 H ? A ? 29 HG11 1
   ATOM 634 HG12 B VAL A 30 ? -9.03356 27.01310 21.14766 0.462 14.19425 H ? A ? 29 HG12 1
   ATOM 635 HG13 B VAL A 30 ? -10.56294 27.40298 21.32787 0.462 14.19425 H ? A ? 29 HG13 1
   ATOM 636 HG21 B VAL A 30 ? -10.67249 29.84066 20.15280 0.462 24.75150 H ? A ? 29 HG21 1
   ATOM 637 HG22 B VAL A 30 ? -11.14066 29.75374 21.66831 0.462 24.75150 H ? A ? 29 HG22 1
   ATOM 638 HG23 B VAL A 30 ? -10.05695 30.83029 21.23228 0.462 24.75150 H ? A ? 29 HG23 1
   ATOM 639 H C VAL A 30 ? -10.49769 28.07141 23.35635 0.439 12.43740 H ? A ? 29 H 1
   ATOM 640 N A LYS A 31 ? -9.62392 31.01766 23.98251 0.228 11.03304 N ? A ? 30 N 1
   ATOM 641 CA A LYS A 31 ? -9.53478 32.38288 24.48792 0.228 11.85843 C ? A ? 30 CA 1
   ATOM 642 C A LYS A 31 ? -8.96093 32.49543 25.89344 0.228 10.19605 C ? A ? 30 C 1
   ATOM 643 O A LYS A 31 ? -8.89719 33.62178 26.43837 0.228 5.90967 O ? A ? 30 O 1
   ATOM 644 CB A LYS A 31 ? -10.90399 33.03657 24.51794 0.228 15.10458 C ? A ? 30 CB 1
   ATOM 645 CG A LYS A 31 ? -11.53975 33.15778 23.14613 0.228 16.12788 C ? A ? 30 CG 1
   ATOM 646 CD A LYS A 31 ? -12.73213 34.09150 23.18692 0.228 23.94333 C ? A ? 30 CD 1
   ATOM 647 CE A LYS A 31 ? -13.80963 33.59167 24.14128 0.228 28.37305 C ? A ? 30 CE 1
   ATOM 648 NZ A LYS A 31 ? -15.03487 34.46605 24.12947 0.228 29.78552 N ? A ? 30 NZ 1
   ATOM 649 H A LYS A 31 ? -10.38035 30.64316 24.14735 0.228 13.24059 H ? A ? 30 H 1
   ATOM 650 HA A LYS A 31 ? -8.95549 32.86052 23.87377 0.228 14.23106 H ? A ? 30 HA 1
   ATOM 651 HB2 A LYS A 31 ? -11.49384 32.50395 25.07408 0.228 18.12644 H ? A ? 30 HB2 1
   ATOM 652 HB3 A LYS A 31 ? -10.81731 33.92962 24.88651 0.228 18.12644 H ? A ? 30 HB3 1
   ATOM 653 HG2 A LYS A 31 ? -10.89125 33.51379 22.51875 0.228 19.35439 H ? A ? 30 HG2 1
   ATOM 654 HG3 A LYS A 31 ? -11.84232 32.28474 22.85092 0.228 19.35439 H ? A ? 30 HG3 1
   ATOM 655 HD2 A LYS A 31 ? -12.44290 34.96726 23.48740 0.228 28.73293 H ? A ? 30 HD2 1
   ATOM 656 HD3 A LYS A 31 ? -13.11868 34.15615 22.29961 0.228 28.73293 H ? A ? 30 HD3 1
   ATOM 657 HE2 A LYS A 31 ? -14.07568 32.69633 23.87954 0.228 34.04860 H ? A ? 30 HE2 1
   ATOM 658 HE3 A LYS A 31 ? -13.45499 33.58180 25.04407 0.228 34.04860 H ? A ? 30 HE3 1
   ATOM 659 HZ1 A LYS A 31 ? -15.57024 34.24904 24.80651 0.228 35.74356 H ? A ? 30 HZ1 1
   ATOM 660 HZ2 A LYS A 31 ? -14.79971 35.32067 24.20966 0.228 35.74356 H ? A ? 30 HZ2 1
   ATOM 661 HZ3 A LYS A 31 ? -15.47794 34.35890 23.36507 0.228 35.74356 H ? A ? 30 HZ3 1
   ATOM 662 N B LYS A 31 ? -9.59616 31.05152 23.94563 0.772 10.63926 N ? A ? 30 N 1
   ATOM 663 CA B LYS A 31 ? -9.41625 32.37100 24.53192 0.772 12.32730 C ? A ? 30 CA 1
   ATOM 664 C B LYS A 31 ? -8.68871 32.35126 25.88031 0.772 11.43633 C ? A ? 30 C 1
   ATOM 665 O B LYS A 31 ? -8.26419 33.42484 26.38623 0.772 12.29406 O ? A ? 30 O 1
   ATOM 666 CB B LYS A 31 ? -10.75031 33.03186 24.71650 0.772 12.20928 C ? A ? 30 CB 1
   ATOM 667 CG B LYS A 31 ? -11.49737 33.45564 23.38412 0.772 16.72994 C ? A ? 30 CG 1
   ATOM 668 CD B LYS A 31 ? -12.86896 33.98671 23.65259 0.772 16.74627 C ? A ? 30 CD 1
   ATOM 669 CE B LYS A 31 ? -13.51488 34.52416 22.36047 0.772 36.86481 C ? A ? 30 CE 1
   ATOM 670 NZ B LYS A 31 ? -14.89542 35.10398 22.66490 0.772 38.74529 N ? A ? 30 NZ 1
   ATOM 671 H B LYS A 31 ? -10.39083 30.73761 24.04341 0.772 12.76805 H ? A ? 30 H 1
   ATOM 672 HA B LYS A 31 ? -8.88479 32.90041 23.91697 0.772 14.79369 H ? A ? 30 HA 1
   ATOM 673 HB2 B LYS A 31 ? -11.33200 32.41629 25.18936 0.772 14.65208 H ? A ? 30 HB2 1
   ATOM 674 HB3 B LYS A 31 ? -10.62108 33.83656 25.24249 0.772 14.65208 H ? A ? 30 HB3 1
   ATOM 675 HG2 B LYS A 31 ? -10.98638 34.14952 22.93879 0.772 20.07687 H ? A ? 30 HG2 1
   ATOM 676 HG3 B LYS A 31 ? -11.58081 32.68179 22.80525 0.772 20.07687 H ? A ? 30 HG3 1
   ATOM 677 HD2 B LYS A 31 ? -13.42819 33.27569 24.00274 0.772 20.09647 H ? A ? 30 HD2 1
   ATOM 678 HD3 B LYS A 31 ? -12.81488 34.71254 24.29380 0.772 20.09647 H ? A ? 30 HD3 1
   ATOM 679 HE2 B LYS A 31 ? -12.95930 35.22501 21.98493 0.772 44.23871 H ? A ? 30 HE2 1
   ATOM 680 HE3 B LYS A 31 ? -13.61525 33.80184 21.72087 0.772 44.23871 H ? A ? 30 HE3 1
   ATOM 681 HZ1 B LYS A 31 ? -15.26969 35.40783 21.91677 0.772 46.49529 H ? A ? 30 HZ1 1
   ATOM 682 HZ2 B LYS A 31 ? -15.41910 34.47537 23.01518 0.772 46.49529 H ? A ? 30 HZ2 1
   ATOM 683 HZ3 B LYS A 31 ? -14.82254 35.77528 23.24469 0.772 46.49529 H ? A ? 30 HZ3 1
   ATOM 684 N A GLY A 32 ? -8.52019 31.37137 26.46378 0.228 11.24074 N ? A ? 31 N 1
   ATOM 685 CA A GLY A 32 ? -7.85372 31.33886 27.75123 0.228 11.19457 C ? A ? 31 CA 1
   ATOM 686 C A GLY A 32 ? -8.76428 31.44674 28.94854 0.228 11.02306 C ? A ? 31 C 1
   ATOM 687 O A GLY A 32 ? -8.27396 31.44488 30.08878 0.228 10.16127 O ? A ? 31 O 1
   ATOM 688 H A GLY A 32 ? -8.60143 30.59293 26.10738 0.228 13.48983 H ? A ? 31 H 1
   ATOM 689 HA2 A GLY A 32 ? -7.36657 30.50343 27.82619 0.228 13.43442 H ? A ? 31 HA2 1
   ATOM 690 HA3 A GLY A 32 ? -7.22464 32.07606 27.79243 0.228 13.43442 H ? A ? 31 HA3 1
   ATOM 691 N B GLY A 32 ? -8.48471 31.19453 26.47408 0.772 11.02396 N ? A ? 31 N 1
   ATOM 692 CA B GLY A 32 ? -7.84194 31.14433 27.79244 0.772 11.49682 C ? A ? 31 CA 1
   ATOM 693 C B GLY A 32 ? -8.77013 31.39184 28.96832 0.772 10.99102 C ? A ? 31 C 1
   ATOM 694 O B GLY A 32 ? -8.30709 31.40953 30.12988 0.772 9.78206 O ? A ? 31 O 1
   ATOM 695 H B GLY A 32 ? -8.70246 30.42923 26.14774 0.772 13.22969 H ? A ? 31 H 1
   ATOM 696 HA2 B GLY A 32 ? -7.44366 30.26771 27.91000 0.772 13.79712 H ? A ? 31 HA2 1
   ATOM 697 HA3 B GLY A 32 ? -7.14234 31.81559 27.82204 0.772 13.79712 H ? A ? 31 HA3 1
   ATOM 698 N . GLN A 33 ? -10.06341 31.56550 28.71782 1.000 10.57259 N ? A ? 32 N 1
   ATOM 699 CA . GLN A 33 ? -11.05537 31.71915 29.73545 1.000 10.42816 C ? A ? 32 CA 1
   ATOM 700 C . GLN A 33 ? -11.37408 30.41127 30.45292 1.000 9.20675 C ? A ? 32 C 1
   ATOM 701 O . GLN A 33 ? -11.89762 30.46839 31.57339 1.000 11.29178 O ? A ? 32 O 1
   ATOM 702 CB . GLN A 33 ? -12.33047 32.29421 29.13228 1.000 12.36345 C ? A ? 32 CB 1
   ATOM 703 CG . GLN A 33 ? -12.14509 33.65082 28.58532 1.000 18.78739 C ? A ? 32 CG 1
   ATOM 704 CD . GLN A 33 ? -13.29616 34.09813 27.68443 1.000 26.82974 C ? A ? 32 CD 1
   ATOM 705 OE1 . GLN A 33 ? -14.18639 33.30152 27.36145 1.000 34.60567 O ? A ? 32 OE1 1
   ATOM 706 NE2 . GLN A 33 ? -13.23980 35.33124 27.24208 1.000 46.49847 N ? A ? 32 NE2 1
   ATOM 707 HA . GLN A 33 ? -10.72060 32.34443 30.39715 1.000 12.51473 H ? A ? 32 HA 1
   ATOM 708 HB2 . GLN A 33 ? -12.62545 31.71755 28.41023 1.000 14.83708 H ? A ? 32 HB2 1
   ATOM 709 HB3 . GLN A 33 ? -13.01235 32.33909 29.82070 1.000 14.83708 H ? A ? 32 HB3 1
   ATOM 710 HG2 . GLN A 33 ? -12.07984 34.28021 29.32051 1.000 22.54581 H ? A ? 32 HG2 1
   ATOM 711 HG3 . GLN A 33 ? -11.33023 33.66934 28.05942 1.000 22.54581 H ? A ? 32 HG3 1
   ATOM 712 HE21 . GLN A 33 ? -12.58046 35.83745 27.46258 1.000 55.79910 H ? A ? 32 HE21 1
   ATOM 713 HE22 . GLN A 33 ? -13.86217 35.63377 26.73146 1.000 55.79910 H ? A ? 32 HE22 1
   ATOM 714 H A GLN A 33 ? -10.40509 31.55830 27.92864 0.228 12.68805 H ? A ? 32 H 1
   ATOM 715 H B GLN A 33 ? -10.39461 31.59764 27.92480 0.772 12.68805 H ? A ? 32 H 1
   ATOM 716 N . ALA A 34 ? -11.06705 29.27668 29.86036 1.000 9.44481 N ? A ? 33 N 1
   ATOM 717 CA . ALA A 34 ? -11.16714 27.95857 30.47180 1.000 8.67634 C ? A ? 33 CA 1
   ATOM 718 C . ALA A 34 ? -9.81556 27.30496 30.30830 1.000 9.17000 C ? A ? 33 C 1
   ATOM 719 O . ALA A 34 ? -9.09845 27.61980 29.36566 1.000 9.20067 O ? A ? 33 O 1
   ATOM 720 CB . ALA A 34 ? -12.28702 27.15207 29.76530 1.000 9.86980 C ? A ? 33 CB 1
   ATOM 721 H . ALA A 34 ? -10.77908 29.23594 29.05103 1.000 11.33471 H ? A ? 33 H 1
   ATOM 722 HA . ALA A 34 ? -11.38632 27.98072 31.41645 1.000 10.41255 H ? A ? 33 HA 1
   ATOM 723 HB1 . ALA A 34 ? -12.34172 26.27023 30.16564 1.000 11.84470 H ? A ? 33 HB1 1
   ATOM 724 HB2 . ALA A 34 ? -13.13020 27.61859 29.87625 1.000 11.84470 H ? A ? 33 HB2 1
   ATOM 725 HB3 . ALA A 34 ? -12.07348 27.07455 28.82228 1.000 11.84470 H ? A ? 33 HB3 1
   ATOM 726 N . PRO A 35 ? -9.44001 26.35386 31.19370 1.000 9.58415 N ? A ? 34 N 1
   ATOM 727 CA . PRO A 35 ? -8.13189 25.72623 31.10029 1.000 9.32094 C ? A ? 34 CA 1
   ATOM 728 C . PRO A 35 ? -7.95924 24.82959 29.87492 1.000 8.39874 C ? A ? 34 C 1
   ATOM 729 O . PRO A 35 ? -8.96483 24.31755 29.32559 1.000 9.89993 O ? A ? 34 O 1
   ATOM 730 CB . PRO A 35 ? -8.04978 24.89745 32.40187 1.000 10.78453 C ? A ? 34 CB 1
   ATOM 731 CG . PRO A 35 ? -9.38844 24.81941 32.90894 1.000 13.48276 C ? A ? 34 CG 1
   ATOM 732 CD . PRO A 35 ? -10.23404 25.92183 32.33939 1.000 9.83934 C ? A ? 34 CD 1
   ATOM 733 HA . PRO A 35 ? -7.44575 26.41148 31.07675 1.000 11.18606 H ? A ? 34 HA 1
   ATOM 734 HB2 . PRO A 35 ? -7.70605 24.01242 32.20319 1.000 12.94237 H ? A ? 34 HB2 1
   ATOM 735 HB3 . PRO A 35 ? -7.46808 25.34453 33.03641 1.000 12.94237 H ? A ? 34 HB3 1
   ATOM 736 HG2 . PRO A 35 ? -9.76220 23.95983 32.65928 1.000 16.18025 H ? A ? 34 HG2 1
   ATOM 737 HG3 . PRO A 35 ? -9.35641 24.89924 33.87512 1.000 16.18025 H ? A ? 34 HG3 1
   ATOM 738 HD2 . PRO A 35 ? -11.10078 25.58873 32.05885 1.000 11.80815 H ? A ? 34 HD2 1
   ATOM 739 HD3 . PRO A 35 ? -10.34668 26.64246 32.97884 1.000 11.80815 H ? A ? 34 HD3 1
   ATOM 740 N . TYR A 36 ? -6.75359 24.64353 29.46788 1.000 9.50312 N ? A ? 35 N 1
   ATOM 741 CA . TYR A 36 ? -6.39358 23.81999 28.33065 1.000 9.80910 C ? A ? 35 CA 1
   ATOM 742 C . TYR A 36 ? -5.90729 22.48147 28.82670 1.000 9.84419 C ? A ? 35 C 1
   ATOM 743 O . TYR A 36 ? -4.81181 22.38504 29.41808 1.000 11.04255 O ? A ? 35 O 1
   ATOM 744 CB . TYR A 36 ? -5.31990 24.49493 27.46837 1.000 11.45994 C ? A ? 35 CB 1
   ATOM 745 CG . TYR A 36 ? -4.78788 23.60604 26.32244 1.000 9.73594 C ? A ? 35 CG 1
   ATOM 746 CD1 . TYR A 36 ? -5.67469 22.91110 25.46611 1.000 9.66786 C ? A ? 35 CD1 1
   ATOM 747 CD2 . TYR A 36 ? -3.45813 23.42664 26.09814 1.000 12.30498 C ? A ? 35 CD2 1
   ATOM 748 CE1 . TYR A 36 ? -5.24273 22.12936 24.47130 1.000 9.98513 C ? A ? 35 CE1 1
   ATOM 749 CE2 . TYR A 36 ? -3.00157 22.58885 25.11758 1.000 12.12952 C ? A ? 35 CE2 1
   ATOM 750 CZ . TYR A 36 ? -3.94233 21.94934 24.27343 1.000 10.92249 C ? A ? 35 CZ 1
   ATOM 751 OH . TYR A 36 ? -3.42800 21.14183 23.28098 1.000 12.73054 O ? A ? 35 OH 1
   ATOM 752 H . TYR A 36 ? -6.06877 24.99949 29.84724 1.000 11.40468 H ? A ? 35 H 1
   ATOM 753 HA . TYR A 36 ? -7.18585 23.68338 27.78792 1.000 11.77186 H ? A ? 35 HA 1
   ATOM 754 HB2 . TYR A 36 ? -5.69750 25.29508 27.07077 1.000 13.75287 H ? A ? 35 HB2 1
   ATOM 755 HB3 . TYR A 36 ? -4.56774 24.72897 28.03440 1.000 13.75287 H ? A ? 35 HB3 1
   ATOM 756 HD1 . TYR A 36 ? -6.59054 23.00143 25.60013 1.000 11.60237 H ? A ? 35 HD1 1
   ATOM 757 HD2 . TYR A 36 ? -2.84381 23.88514 26.62473 1.000 14.76691 H ? A ? 35 HD2 1
   ATOM 758 HE1 . TYR A 36 ? -5.85728 21.70885 23.91417 1.000 11.98309 H ? A ? 35 HE1 1
   ATOM 759 HE2 . TYR A 36 ? -2.08991 22.44186 25.00722 1.000 14.55636 H ? A ? 35 HE2 1
   ATOM 760 HH . TYR A 36 ? -3.53808 20.33376 23.48223 1.000 15.27759 H ? A ? 35 HH 1
   ATOM 761 N A ASP A 37 ? -6.69393 21.41373 28.62107 0.485 10.40398 N ? A ? 36 N 1
   ATOM 762 CA A ASP A 37 ? -6.34802 20.01898 28.90375 0.485 9.98653 C ? A ? 36 CA 1
   ATOM 763 C A ASP A 37 ? -6.11844 19.42807 27.51405 0.485 9.54955 C ? A ? 36 C 1
   ATOM 764 O A ASP A 37 ? -7.05544 19.30971 26.70276 0.485 8.58451 O ? A ? 36 O 1
   ATOM 765 CB A ASP A 37 ? -7.47565 19.34625 29.69784 0.485 11.72534 C ? A ? 36 CB 1
   ATOM 766 CG A ASP A 37 ? -7.15511 17.86924 30.04370 0.485 9.96923 C ? A ? 36 CG 1
   ATOM 767 OD1 A ASP A 37 ? -6.73946 17.15288 29.09600 0.485 13.09815 O ? A ? 36 OD1 1
   ATOM 768 OD2 A ASP A 37 ? -7.15551 17.51059 31.27882 0.485 14.69750 O ? A ? 36 OD2 1
   ATOM 769 H A ASP A 37 ? -7.48715 21.48121 28.29573 0.485 12.48571 H ? A ? 36 H 1
   ATOM 770 HA A ASP A 37 ? -5.55005 19.90405 29.44313 0.485 11.98477 H ? A ? 36 HA 1
   ATOM 771 HB2 A ASP A 37 ? -7.60989 19.82814 30.52890 0.485 14.07135 H ? A ? 36 HB2 1
   ATOM 772 HB3 A ASP A 37 ? -8.28916 19.36247 29.16980 0.485 14.07135 H ? A ? 36 HB3 1
   ATOM 773 N B ASP A 37 ? -6.66426 21.43408 28.57274 0.515 10.34127 N ? A ? 36 N 1
   ATOM 774 CA B ASP A 37 ? -6.25897 20.07689 28.87067 0.515 10.24407 C ? A ? 36 CA 1
   ATOM 775 C B ASP A 37 ? -6.11385 19.38166 27.55108 0.515 9.14598 C ? A ? 36 C 1
   ATOM 776 O B ASP A 37 ? -7.12128 19.08370 26.87117 0.515 9.49770 O ? A ? 36 O 1
   ATOM 777 CB B ASP A 37 ? -7.30033 19.38150 29.70720 0.515 10.97129 C ? A ? 36 CB 1
   ATOM 778 CG B ASP A 37 ? -6.91054 17.95035 30.01244 0.515 14.55016 C ? A ? 36 CG 1
   ATOM 779 OD1 B ASP A 37 ? -7.39990 17.02951 29.32927 0.515 9.46379 O ? A ? 36 OD1 1
   ATOM 780 OD2 B ASP A 37 ? -6.04892 17.79185 30.92704 0.515 16.47248 O ? A ? 36 OD2 1
   ATOM 781 H B ASP A 37 ? -7.44475 21.48598 28.21532 0.515 12.41046 H ? A ? 36 H 1
   ATOM 782 HA B ASP A 37 ? -5.41782 20.07151 29.35372 0.515 12.29382 H ? A ? 36 HA 1
   ATOM 783 HB2 B ASP A 37 ? -7.40378 19.85452 30.54770 0.515 13.16649 H ? A ? 36 HB2 1
   ATOM 784 HB3 B ASP A 37 ? -8.14268 19.37144 29.22631 0.515 13.16649 H ? A ? 36 HB3 1
   ATOM 785 N . ALA A 38 ? -4.88805 19.10648 27.18158 1.000 9.41776 N ? A ? 37 N 1
   ATOM 786 CA . ALA A 38 ? -4.58641 18.62763 25.84116 1.000 9.93000 C ? A ? 37 CA 1
   ATOM 787 C . ALA A 38 ? -5.34779 17.37024 25.51652 1.000 8.77729 C ? A ? 37 C 1
   ATOM 788 O . ALA A 38 ? -5.83212 17.22982 24.39229 1.000 9.41800 O ? A ? 37 O 1
   ATOM 789 CB . ALA A 38 ? -3.06233 18.38978 25.70417 1.000 11.21206 C ? A ? 37 CB 1
   ATOM 790 HA . ALA A 38 ? -4.85146 19.30568 25.20015 1.000 11.91694 H ? A ? 37 HA 1
   ATOM 791 HB1 . ALA A 38 ? -2.87371 18.05538 24.81339 1.000 13.45541 H ? A ? 37 HB1 1
   ATOM 792 HB2 . ALA A 38 ? -2.59758 19.22900 25.84774 1.000 13.45541 H ? A ? 37 HB2 1
   ATOM 793 HB3 . ALA A 38 ? -2.78332 17.73945 26.36759 1.000 13.45541 H ? A ? 37 HB3 1
   ATOM 794 H A ALA A 38 ? -4.20805 19.15374 27.70596 0.485 11.30225 H ? A ? 37 H 1
   ATOM 795 H B ALA A 38 ? -4.19713 19.18633 27.68740 0.515 11.30225 H ? A ? 37 H 1
   ATOM 796 N A ALA A 39 ? -5.46121 16.43794 26.45797 0.101 9.95306 N ? A ? 38 N 1
   ATOM 797 CA A ALA A 39 ? -6.14808 15.18276 26.15392 0.101 10.05812 C ? A ? 38 CA 1
   ATOM 798 C A ALA A 39 ? -7.63325 15.40929 25.89538 0.101 9.39686 C ? A ? 38 C 1
   ATOM 799 O A ALA A 39 ? -8.21728 14.79003 24.99765 0.101 10.48705 O ? A ? 38 O 1
   ATOM 800 CB A ALA A 39 ? -5.96140 14.18598 27.30106 0.101 12.10681 C ? A ? 38 CB 1
   ATOM 801 H A ALA A 39 ? -5.15829 16.50297 27.26022 0.101 11.94461 H ? A ? 38 H 1
   ATOM 802 HA A ALA A 39 ? -5.75290 14.80436 25.35295 0.101 12.07068 H ? A ? 38 HA 1
   ATOM 803 HB1 A ALA A 39 ? -6.43831 13.36821 27.08961 0.101 14.52911 H ? A ? 38 HB1 1
   ATOM 804 HB2 A ALA A 39 ? -5.01537 13.99936 27.40647 0.101 14.52911 H ? A ? 38 HB2 1
   ATOM 805 HB3 A ALA A 39 ? -6.31500 14.57359 28.11692 0.101 14.52911 H ? A ? 38 HB3 1
   ATOM 806 N B ALA A 39 ? -5.46114 16.43841 26.43756 0.899 9.86810 N ? A ? 38 N 1
   ATOM 807 CA B ALA A 39 ? -6.18842 15.18421 26.14292 0.899 9.78271 C ? A ? 38 CA 1
   ATOM 808 C B ALA A 39 ? -7.65373 15.42441 25.89883 0.899 9.30132 C ? A ? 38 C 1
   ATOM 809 O B ALA A 39 ? -8.25965 14.83569 24.98895 0.899 10.40121 O ? A ? 38 O 1
   ATOM 810 CB B ALA A 39 ? -6.01087 14.15382 27.27037 0.899 12.01186 C ? A ? 38 CB 1
   ATOM 811 H B ALA A 39 ? -5.13836 16.48885 27.23309 0.899 11.84266 H ? A ? 38 H 1
   ATOM 812 HA B ALA A 39 ? -5.79845 14.81360 25.33578 0.899 11.74019 H ? A ? 38 HA 1
   ATOM 813 HB1 B ALA A 39 ? -6.51626 13.35547 27.05103 0.899 14.41517 H ? A ? 38 HB1 1
   ATOM 814 HB2 B ALA A 39 ? -5.06924 13.93658 27.35424 0.899 14.41517 H ? A ? 38 HB2 1
   ATOM 815 HB3 B ALA A 39 ? -6.33771 14.53456 28.10050 0.899 14.41517 H ? A ? 38 HB3 1
   ATOM 816 N . GLN A 40 ? -8.26078 16.27802 26.68465 1.000 9.53647 N ? A ? 39 N 1
   ATOM 817 CA . GLN A 40 ? -9.67691 16.60846 26.49986 1.000 10.98864 C ? A ? 39 CA 1
   ATOM 818 C . GLN A 40 ? -9.90533 17.19948 25.10803 1.000 9.10766 C ? A ? 39 C 1
   ATOM 819 O . GLN A 40 ? -10.87614 16.81502 24.38898 1.000 9.73053 O ? A ? 39 O 1
   ATOM 820 CB . GLN A 40 ? -10.12685 17.63085 27.55896 1.000 12.71562 C ? A ? 39 CB 1
   ATOM 821 CG . GLN A 40 ? -11.62050 18.23984 27.36138 1.000 13.54240 C ? A ? 39 CG 1
   ATOM 822 CD . GLN A 40 ? -11.90173 19.34252 28.38609 1.000 15.64129 C ? A ? 39 CD 1
   ATOM 823 OE1 . GLN A 40 ? -11.01944 20.16429 28.75528 1.000 18.59036 O ? A ? 39 OE1 1
   ATOM 824 NE2 . GLN A 40 ? -13.15957 19.46965 28.80804 1.000 14.59411 N ? A ? 39 NE2 1
   ATOM 825 HA . GLN A 40 ? -10.20090 15.79880 26.60372 1.000 13.18731 H ? A ? 39 HA 1
   ATOM 826 HB2 . GLN A 40 ? -10.10470 17.19906 28.42727 1.000 15.25968 H ? A ? 39 HB2 1
   ATOM 827 HB3 . GLN A 40 ? -9.50747 18.37720 27.54369 1.000 15.25968 H ? A ? 39 HB3 1
   ATOM 828 HG2 . GLN A 40 ? -11.69984 18.61886 26.47202 1.000 16.25182 H ? A ? 39 HG2 1
   ATOM 829 HG3 . GLN A 40 ? -12.27546 17.53442 27.48101 1.000 16.25182 H ? A ? 39 HG3 1
   ATOM 830 HE21 . GLN A 40 ? -13.76989 18.94500 28.50497 1.000 17.51387 H ? A ? 39 HE21 1
   ATOM 831 HE22 . GLN A 40 ? -13.36088 20.07633 29.38338 1.000 17.51387 H ? A ? 39 HE22 1
   ATOM 832 H A GLN A 40 ? -7.89027 16.69447 27.33955 0.101 11.44470 H ? A ? 39 H 1
   ATOM 833 H B GLN A 40 ? -7.88635 16.68996 27.34017 0.899 11.44470 H ? A ? 39 H 1
   ATOM 834 N . ILE A 41 ? -9.09489 18.14907 24.70965 1.000 8.98841 N ? A ? 40 N 1
   ATOM 835 CA . ILE A 41 ? -9.24329 18.76585 23.41019 1.000 8.66648 C ? A ? 40 CA 1
   ATOM 836 C . ILE A 41 ? -8.91605 17.80309 22.29864 1.000 8.70827 C ? A ? 40 C 1
   ATOM 837 O . ILE A 41 ? -9.66394 17.79303 21.27921 1.000 9.05562 O ? A ? 40 O 1
   ATOM 838 CB . ILE A 41 ? -8.40151 20.04941 23.34256 1.000 9.35655 C ? A ? 40 CB 1
   ATOM 839 CG1 . ILE A 41 ? -8.87686 21.09283 24.25845 1.000 9.15413 C ? A ? 40 CG1 1
   ATOM 840 CG2 . ILE A 41 ? -8.28133 20.58714 21.91584 1.000 9.17766 C ? A ? 40 CG2 1
   ATOM 841 CD1 . ILE A 41 ? -10.26337 21.66273 23.92979 1.000 10.16443 C ? A ? 40 CD1 1
   ATOM 842 H . ILE A 41 ? -8.44217 18.46116 25.17458 1.000 10.78703 H ? A ? 40 H 1
   ATOM 843 HA . ILE A 41 ? -10.17465 19.01060 23.29368 1.000 10.40071 H ? A ? 40 HA 1
   ATOM 844 HB . ILE A 41 ? -7.51489 19.79225 23.64035 1.000 11.22880 H ? A ? 40 HB 1
   ATOM 845 HG12 . ILE A 41 ? -8.92056 20.71965 25.15272 1.000 10.98589 H ? A ? 40 HG12 1
   ATOM 846 HG13 . ILE A 41 ? -8.24703 21.83023 24.23708 1.000 10.98589 H ? A ? 40 HG13 1
   ATOM 847 HG21 . ILE A 41 ? -7.91937 21.48655 21.94679 1.000 11.01413 H ? A ? 40 HG21 1
   ATOM 848 HG22 . ILE A 41 ? -7.68907 20.00947 21.40947 1.000 11.01413 H ? A ? 40 HG22 1
   ATOM 849 HG23 . ILE A 41 ? -9.16111 20.59852 21.50749 1.000 11.01413 H ? A ? 40 HG23 1
   ATOM 850 HD11 . ILE A 41 ? -10.42851 22.43565 24.49212 1.000 12.19826 H ? A ? 40 HD11 1
   ATOM 851 HD12 . ILE A 41 ? -10.28457 21.92278 22.99554 1.000 12.19826 H ? A ? 40 HD12 1
   ATOM 852 HD13 . ILE A 41 ? -10.93296 20.98157 24.09882 1.000 12.19826 H ? A ? 40 HD13 1
   ATOM 853 N . LYS A 42 ? -7.92947 16.91485 22.43716 1.000 9.05620 N ? A ? 41 N 1
   ATOM 854 CA . LYS A 42 ? -7.64897 15.92169 21.41254 1.000 9.30423 C ? A ? 41 CA 1
   ATOM 855 C . LYS A 42 ? -8.89293 15.06100 21.18672 1.000 9.35904 C ? A ? 41 C 1
   ATOM 856 O . LYS A 42 ? -9.28193 14.80382 20.03285 1.000 9.64578 O ? A ? 41 O 1
   ATOM 857 CB . LYS A 42 ? -6.42417 15.10305 21.80442 1.000 10.08111 C ? A ? 41 CB 1
   ATOM 858 CG . LYS A 42 ? -6.13187 14.00366 20.85776 1.000 11.92762 C ? A ? 41 CG 1
   ATOM 859 CD . LYS A 42 ? -4.88107 13.18039 21.26600 1.000 12.71413 C ? A ? 41 CD 1
   ATOM 860 CE . LYS A 42 ? -4.59335 12.06759 20.29705 1.000 16.40807 C ? A ? 41 CE 1
   ATOM 861 NZ . LYS A 42 ? -3.39360 11.27585 20.71132 1.000 23.29485 N ? A ? 41 NZ 1
   ATOM 862 H . LYS A 42 ? -7.40785 16.86913 23.11937 1.000 10.86838 H ? A ? 41 H 1
   ATOM 863 HA . LYS A 42 ? -7.42746 16.34752 20.56963 1.000 11.16602 H ? A ? 41 HA 1
   ATOM 864 HB2 . LYS A 42 ? -5.65078 15.68792 21.83098 1.000 12.09826 H ? A ? 41 HB2 1
   ATOM 865 HB3 . LYS A 42 ? -6.57452 14.71191 22.67923 1.000 12.09826 H ? A ? 41 HB3 1
   ATOM 866 HG2 . LYS A 42 ? -6.89120 13.40081 20.82791 1.000 14.31408 H ? A ? 41 HG2 1
   ATOM 867 HG3 . LYS A 42 ? -5.97055 14.37786 19.97750 1.000 14.31408 H ? A ? 41 HG3 1
   ATOM 868 HD2 . LYS A 42 ? -4.10830 13.76612 21.29137 1.000 15.25790 H ? A ? 41 HD2 1
   ATOM 869 HD3 . LYS A 42 ? -5.02910 12.78838 22.14083 1.000 15.25790 H ? A ? 41 HD3 1
   ATOM 870 HE2 . LYS A 42 ? -5.35577 11.46906 20.25992 1.000 19.69063 H ? A ? 41 HE2 1
   ATOM 871 HE3 . LYS A 42 ? -4.42290 12.44260 19.41886 1.000 19.69063 H ? A ? 41 HE3 1
   ATOM 872 HZ1 . LYS A 42 ? -2.74362 11.37150 20.11092 1.000 27.95476 H ? A ? 41 HZ1 1
   ATOM 873 HZ2 . LYS A 42 ? -3.10015 11.55925 21.50231 1.000 27.95476 H ? A ? 41 HZ2 1
   ATOM 874 HZ3 . LYS A 42 ? -3.60465 10.41348 20.77360 1.000 27.95476 H ? A ? 41 HZ3 1
   ATOM 875 N . ALA A 43 ? -9.50392 14.61485 22.25895 1.000 8.68850 N ? A ? 42 N 1
   ATOM 876 CA . ALA A 43 ? -10.68273 13.76502 22.11862 1.000 9.51418 C ? A ? 42 CA 1
   ATOM 877 C . ALA A 43 ? -11.85132 14.52927 21.50596 1.000 10.07326 C ? A ? 42 C 1
   ATOM 878 O . ALA A 43 ? -12.61346 13.95969 20.67073 1.000 9.87139 O ? A ? 42 O 1
   ATOM 879 CB . ALA A 43 ? -11.06326 13.16321 23.49535 1.000 11.24439 C ? A ? 42 CB 1
   ATOM 880 H . ALA A 43 ? -9.26862 14.78060 23.06936 1.000 10.42713 H ? A ? 42 H 1
   ATOM 881 HA . ALA A 43 ? -10.47426 13.02954 21.52153 1.000 11.41796 H ? A ? 42 HA 1
   ATOM 882 HB1 . ALA A 43 ? -11.84435 12.59817 23.38800 1.000 13.49421 H ? A ? 42 HB1 1
   ATOM 883 HB2 . ALA A 43 ? -10.31826 12.63815 23.82729 1.000 13.49421 H ? A ? 42 HB2 1
   ATOM 884 HB3 . ALA A 43 ? -11.25977 13.88548 24.11229 1.000 13.49421 H ? A ? 42 HB3 1
   ATOM 885 N . ASN A 44 ? -12.05837 15.78438 21.89895 1.000 9.46825 N ? A ? 43 N 1
   ATOM 886 CA . ASN A 44 ? -13.14721 16.53161 21.34021 1.000 9.18410 C ? A ? 43 CA 1
   ATOM 887 C . ASN A 44 ? -12.94416 16.78034 19.85357 1.000 7.83536 C ? A ? 43 C 1
   ATOM 888 O . ASN A 44 ? -13.91980 16.71944 19.07476 1.000 8.54291 O ? A ? 43 O 1
   ATOM 889 CB . ASN A 44 ? -13.32605 17.85408 22.09754 1.000 9.51534 C ? A ? 43 CB 1
   ATOM 890 CG . ASN A 44 ? -14.50123 18.63599 21.52373 1.000 8.88887 C ? A ? 43 CG 1
   ATOM 891 OD1 . ASN A 44 ? -15.66566 18.15011 21.75265 1.000 10.23825 O ? A ? 43 OD1 1
   ATOM 892 ND2 . ASN A 44 ? -14.32702 19.72175 20.89001 1.000 9.15849 N ? A ? 43 ND2 1
   ATOM 893 H . ASN A 44 ? -11.58433 16.20800 22.47812 1.000 11.36284 H ? A ? 43 H 1
   ATOM 894 HA . ASN A 44 ? -13.96340 16.01812 21.44537 1.000 11.02186 H ? A ? 43 HA 1
   ATOM 895 HB2 . ASN A 44 ? -13.50196 17.67190 23.03390 1.000 11.41934 H ? A ? 43 HB2 1
   ATOM 896 HB3 . ASN A 44 ? -12.52311 18.39108 22.00918 1.000 11.41934 H ? A ? 43 HB3 1
   ATOM 897 HD21 . ASN A 44 ? -15.00348 20.14835 20.57376 1.000 10.99112 H ? A ? 43 HD21 1
   ATOM 898 HD22 . ASN A 44 ? -13.53251 20.03087 20.77685 1.000 10.99112 H ? A ? 43 HD22 1
   ATOM 899 N . VAL A 45 ? -11.73251 17.11430 19.44647 1.000 9.00853 N ? A ? 44 N 1
   ATOM 900 CA . VAL A 45 ? -11.47049 17.34818 18.04706 1.000 8.10494 C ? A ? 44 CA 1
   ATOM 901 C . VAL A 45 ? -11.65010 16.07163 17.23787 1.000 9.30461 C ? A ? 44 C 1
   ATOM 902 O . VAL A 45 ? -12.07141 16.15809 16.06742 1.000 9.61443 O ? A ? 44 O 1
   ATOM 903 CB . VAL A 45 ? -10.14007 18.11971 17.82851 1.000 8.57289 C ? A ? 44 CB 1
   ATOM 904 CG1 . VAL A 45 ? -9.83917 18.26077 16.29912 1.000 10.70342 C ? A ? 44 CG1 1
   ATOM 905 CG2 . VAL A 45 ? -10.16928 19.42293 18.49428 1.000 8.33862 C ? A ? 44 CG2 1
   ATOM 906 H . VAL A 45 ? -11.04945 17.21098 19.95997 1.000 10.81118 H ? A ? 44 H 1
   ATOM 907 HA . VAL A 45 ? -12.13973 17.95673 17.69681 1.000 9.72687 H ? A ? 44 HA 1
   ATOM 908 HB . VAL A 45 ? -9.41489 17.61481 18.22861 1.000 10.28841 H ? A ? 44 HB 1
   ATOM 909 HG11 . VAL A 45 ? -9.04896 18.81104 16.18217 1.000 12.84504 H ? A ? 44 HG11 1
   ATOM 910 HG12 . VAL A 45 ? -9.68665 17.37907 15.92463 1.000 12.84504 H ? A ? 44 HG12 1
   ATOM 911 HG13 . VAL A 45 ? -10.59975 18.67760 15.86475 1.000 12.84504 H ? A ? 44 HG13 1
   ATOM 912 HG21 . VAL A 45 ? -9.32156 19.87121 18.34830 1.000 10.00728 H ? A ? 44 HG21 1
   ATOM 913 HG22 . VAL A 45 ? -10.89174 19.95196 18.12135 1.000 10.00728 H ? A ? 44 HG22 1
   ATOM 914 HG23 . VAL A 45 ? -10.31345 19.28915 19.44414 1.000 10.00728 H ? A ? 44 HG23 1
   ATOM 915 N A GLU A 46 ? -11.32753 14.89859 17.75719 0.571 9.09965 N ? A ? 45 N 1
   ATOM 916 CA A GLU A 46 ? -11.65957 13.65755 17.05366 0.571 9.26689 C ? A ? 45 CA 1
   ATOM 917 C A GLU A 46 ? -13.17236 13.59266 16.76177 0.571 9.01570 C ? A ? 45 C 1
   ATOM 918 O A GLU A 46 ? -13.61677 13.31457 15.62572 0.571 8.96612 O ? A ? 45 O 1
   ATOM 919 CB A GLU A 46 ? -11.17877 12.48513 17.90349 0.571 11.24664 C ? A ? 45 CB 1
   ATOM 920 CG A GLU A 46 ? -9.66300 12.24615 17.84420 0.571 11.16880 C ? A ? 45 CG 1
   ATOM 921 CD A GLU A 46 ? -9.13197 11.36386 18.95069 0.571 20.50271 C ? A ? 45 CD 1
   ATOM 922 OE1 A GLU A 46 ? -9.92314 10.91750 19.81147 0.571 24.04577 O ? A ? 45 OE1 1
   ATOM 923 OE2 A GLU A 46 ? -7.89716 11.08874 18.94413 0.571 20.15760 O ? A ? 45 OE2 1
   ATOM 924 H A GLU A 46 ? -10.92067 14.78731 18.50665 0.571 10.92052 H ? A ? 45 H 1
   ATOM 925 HA A GLU A 46 ? -11.20797 13.60970 16.19653 0.571 11.12121 H ? A ? 45 HA 1
   ATOM 926 HB2 A GLU A 46 ? -11.41400 12.65571 18.82895 0.571 13.49691 H ? A ? 45 HB2 1
   ATOM 927 HB3 A GLU A 46 ? -11.61664 11.67703 17.59342 0.571 13.49691 H ? A ? 45 HB3 1
   ATOM 928 HG2 A GLU A 46 ? -9.44851 11.81978 16.99975 0.571 13.40350 H ? A ? 45 HG2 1
   ATOM 929 HG3 A GLU A 46 ? -9.21083 13.10193 17.90804 0.571 13.40350 H ? A ? 45 HG3 1
   ATOM 930 N B GLU A 46 ? -11.36951 14.90277 17.80902 0.429 9.29263 N ? A ? 45 N 1
   ATOM 931 CA B GLU A 46 ? -11.61599 13.65137 17.10484 0.429 9.40367 C ? A ? 45 CA 1
   ATOM 932 C B GLU A 46 ? -13.10798 13.44701 16.84264 0.429 11.42009 C ? A ? 45 C 1
   ATOM 933 O B GLU A 46 ? -13.46624 12.85243 15.82998 0.429 7.89475 O ? A ? 45 O 1
   ATOM 934 CB B GLU A 46 ? -11.02210 12.48548 17.88582 0.429 10.82299 C ? A ? 45 CB 1
   ATOM 935 CG B GLU A 46 ? -11.14882 11.16850 17.13118 0.429 14.59420 C ? A ? 45 CG 1
   ATOM 936 CD B GLU A 46 ? -10.19816 11.04579 15.94718 0.429 18.32169 C ? A ? 45 CD 1
   ATOM 937 OE1 B GLU A 46 ? -9.29755 11.86908 15.79942 0.429 19.93918 O ? A ? 45 OE1 1
   ATOM 938 OE2 B GLU A 46 ? -10.32927 10.07416 15.17965 0.429 32.50537 O ? A ? 45 OE2 1
   ATOM 939 H B GLU A 46 ? -11.03845 14.80815 18.59709 0.429 11.15209 H ? A ? 45 H 1
   ATOM 940 HA B GLU A 46 ? -11.17153 13.67965 16.24313 0.429 11.28534 H ? A ? 45 HA 1
   ATOM 941 HB2 B GLU A 46 ? -10.08025 12.65509 18.04410 0.429 12.98852 H ? A ? 45 HB2 1
   ATOM 942 HB3 B GLU A 46 ? -11.48989 12.39714 18.73097 0.429 12.98852 H ? A ? 45 HB3 1
   ATOM 943 HG2 B GLU A 46 ? -10.95686 10.43927 17.74132 0.429 17.51398 H ? A ? 45 HG2 1
   ATOM 944 HG3 B GLU A 46 ? -12.05436 11.08836 16.79285 0.429 17.51398 H ? A ? 45 HG3 1
   ATOM 945 N . VAL A 47 ? -13.97289 13.85708 17.78954 1.000 9.72979 N ? A ? 46 N 1
   ATOM 946 CA . VAL A 47 ? -15.43217 13.84612 17.56320 1.000 9.59808 C ? A ? 46 CA 1
   ATOM 947 C . VAL A 47 ? -15.81943 14.83279 16.47662 1.000 9.35532 C ? A ? 46 C 1
   ATOM 948 O . VAL A 47 ? -16.55690 14.49487 15.52151 1.000 9.61460 O ? A ? 46 O 1
   ATOM 949 CB . VAL A 47 ? -16.18680 14.12589 18.86789 1.000 9.45835 C ? A ? 46 CB 1
   ATOM 950 CG1 . VAL A 47 ? -17.72101 14.32268 18.55195 1.000 11.24030 C ? A ? 46 CG1 1
   ATOM 951 CG2 . VAL A 47 ? -16.00760 13.06606 19.86334 1.000 11.90575 C ? A ? 46 CG2 1
   ATOM 952 HA . VAL A 47 ? -15.67913 12.95856 17.25965 1.000 11.51863 H ? A ? 46 HA 1
   ATOM 953 HB . VAL A 47 ? -15.82091 14.93498 19.25827 1.000 11.35096 H ? A ? 46 HB 1
   ATOM 954 HG11 . VAL A 47 ? -18.22089 14.29276 19.38269 1.000 13.48929 H ? A ? 46 HG11 1
   ATOM 955 HG12 . VAL A 47 ? -17.84693 15.18248 18.12093 1.000 13.48929 H ? A ? 46 HG12 1
   ATOM 956 HG13 . VAL A 47 ? -18.01592 13.61089 17.96264 1.000 13.48929 H ? A ? 46 HG13 1
   ATOM 957 HG21 . VAL A 47 ? -16.50806 13.29512 20.66207 1.000 14.28784 H ? A ? 46 HG21 1
   ATOM 958 HG22 . VAL A 47 ? -16.33462 12.22974 19.49658 1.000 14.28784 H ? A ? 46 HG22 1
   ATOM 959 HG23 . VAL A 47 ? -15.06423 12.98795 20.07513 1.000 14.28784 H ? A ? 46 HG23 1
   ATOM 960 H A VAL A 47 ? -13.71870 14.03788 18.59098 0.571 11.67669 H ? A ? 46 H 1
   ATOM 961 H B VAL A 47 ? -13.74285 14.14454 18.56675 0.429 11.67669 H ? A ? 46 H 1
   ATOM 962 N A LEU A 48 ? -15.25843 16.06549 16.50830 0.701 8.85698 N ? A ? 47 N 1
   ATOM 963 CA A LEU A 48 ? -15.56434 17.07949 15.52063 0.701 9.60306 C ? A ? 47 CA 1
   ATOM 964 C A LEU A 48 ? -15.13629 16.63395 14.12551 0.701 10.66656 C ? A ? 47 C 1
   ATOM 965 O A LEU A 48 ? -15.85568 16.90027 13.15210 0.701 9.10601 O ? A ? 47 O 1
   ATOM 966 CB A LEU A 48 ? -14.86833 18.39616 15.94091 0.701 8.95078 C ? A ? 47 CB 1
   ATOM 967 CG A LEU A 48 ? -15.10296 19.51324 15.00105 0.701 9.68610 C ? A ? 47 CG 1
   ATOM 968 CD1 A LEU A 48 ? -16.57545 19.89116 14.78785 0.701 10.57047 C ? A ? 47 CD1 1
   ATOM 969 CD2 A LEU A 48 ? -14.26189 20.79936 15.40215 0.701 10.94950 C ? A ? 47 CD2 1
   ATOM 970 H A LEU A 48 ? -14.69468 16.32532 17.10351 0.701 10.62931 H ? A ? 47 H 1
   ATOM 971 HA A LEU A 48 ? -16.52054 17.23802 15.48254 0.701 11.52461 H ? A ? 47 HA 1
   ATOM 972 HB2 A LEU A 48 ? -15.20455 18.66311 16.81073 0.701 10.74187 H ? A ? 47 HB2 1
   ATOM 973 HB3 A LEU A 48 ? -13.91175 18.24236 15.98791 0.701 10.74187 H ? A ? 47 HB3 1
   ATOM 974 HG A LEU A 48 ? -14.79706 19.18072 14.14271 0.701 11.62426 H ? A ? 47 HG 1
   ATOM 975 HD11 A LEU A 48 ? -16.62124 20.67146 14.21345 0.701 12.68550 H ? A ? 47 HD11 1
   ATOM 976 HD12 A LEU A 48 ? -17.03554 19.14598 14.37081 0.701 12.68550 H ? A ? 47 HD12 1
   ATOM 977 HD13 A LEU A 48 ? -16.97833 20.08927 15.64769 0.701 12.68550 H ? A ? 47 HD13 1
   ATOM 978 HD21 A LEU A 48 ? -14.41235 21.49369 14.74173 0.701 13.14034 H ? A ? 47 HD21 1
   ATOM 979 HD22 A LEU A 48 ? -14.55082 21.10577 16.27595 0.701 13.14034 H ? A ? 47 HD22 1
   ATOM 980 HD23 A LEU A 48 ? -13.32078 20.56581 15.42804 0.701 13.14034 H ? A ? 47 HD23 1
   ATOM 981 N B LEU A 48 ? -15.27081 16.04860 16.55848 0.299 9.15929 N ? A ? 47 N 1
   ATOM 982 CA B LEU A 48 ? -15.46584 17.01485 15.50758 0.299 9.39349 C ? A ? 47 CA 1
   ATOM 983 C B LEU A 48 ? -14.97312 16.47431 14.17126 0.299 4.64600 C ? A ? 47 C 1
   ATOM 984 O B LEU A 48 ? -15.64478 16.72865 13.14760 0.299 10.77290 O ? A ? 47 O 1
   ATOM 985 CB B LEU A 48 ? -14.80112 18.33778 15.90306 0.299 8.82607 C ? A ? 47 CB 1
   ATOM 986 CG B LEU A 48 ? -14.93455 19.46992 14.90700 0.299 10.30067 C ? A ? 47 CG 1
   ATOM 987 CD1 B LEU A 48 ? -16.37935 19.84847 14.62360 0.299 9.95721 C ? A ? 47 CD1 1
   ATOM 988 CD2 B LEU A 48 ? -14.13066 20.69720 15.37764 0.299 9.52620 C ? A ? 47 CD2 1
   ATOM 989 H B LEU A 48 ? -14.78627 16.32624 17.21250 0.299 10.99209 H ? A ? 47 H 1
   ATOM 990 HA B LEU A 48 ? -16.40917 17.20820 15.39077 0.299 11.27312 H ? A ? 47 HA 1
   ATOM 991 HB2 B LEU A 48 ? -15.19803 18.63892 16.73533 0.299 10.59222 H ? A ? 47 HB2 1
   ATOM 992 HB3 B LEU A 48 ? -13.85306 18.17472 16.02753 0.299 10.59222 H ? A ? 47 HB3 1
   ATOM 993 HG B LEU A 48 ? -14.56937 19.15800 14.06424 0.299 12.36174 H ? A ? 47 HG 1
   ATOM 994 HD11 B LEU A 48 ? -16.39422 20.61608 14.03076 0.299 11.94959 H ? A ? 47 HD11 1
   ATOM 995 HD12 B LEU A 48 ? -16.82602 19.09708 14.20313 0.299 11.94959 H ? A ? 47 HD12 1
   ATOM 996 HD13 B LEU A 48 ? -16.81819 20.06816 15.46029 0.299 11.94959 H ? A ? 47 HD13 1
   ATOM 997 HD21 B LEU A 48 ? -14.20314 21.39716 14.71003 0.299 11.43237 H ? A ? 47 HD21 1
   ATOM 998 HD22 B LEU A 48 ? -14.49295 21.00702 16.22242 0.299 11.43237 H ? A ? 47 HD22 1
   ATOM 999 HD23 B LEU A 48 ? -13.20156 20.44205 15.48985 0.299 11.43237 H ? A ? 47 HD23 1
   ATOM 1000 N A LYS A 49 ? -14.00411 16.01152 13.98240 0.701 7.95925 N ? A ? 48 N 1
   ATOM 1001 CA A LYS A 49 ? -13.57836 15.51564 12.66638 0.701 9.18087 C ? A ? 48 CA 1
   ATOM 1002 C A LYS A 49 ? -14.57175 14.51393 12.09327 0.701 9.17438 C ? A ? 48 C 1
   ATOM 1003 O A LYS A 49 ? -14.94665 14.60292 10.91877 0.701 9.55052 O ? A ? 48 O 1
   ATOM 1004 CB A LYS A 49 ? -12.21588 14.87154 12.78704 0.701 10.71756 C ? A ? 48 CB 1
   ATOM 1005 CG A LYS A 49 ? -11.68522 14.09647 11.57630 0.701 11.23570 C ? A ? 48 CG 1
   ATOM 1006 CD A LYS A 49 ? -10.34903 13.38542 11.88015 0.701 14.34340 C ? A ? 48 CD 1
   ATOM 1007 CE A LYS A 49 ? -9.68476 12.68820 10.67553 0.701 30.41999 C ? A ? 48 CE 1
   ATOM 1008 NZ A LYS A 49 ? -10.61481 11.77044 9.96992 0.701 39.13809 N ? A ? 48 NZ 1
   ATOM 1009 H A LYS A 49 ? -13.44800 15.85239 14.61881 0.701 9.55204 H ? A ? 48 H 1
   ATOM 1010 HA A LYS A 49 ? -13.52490 16.26906 12.05778 0.701 11.01798 H ? A ? 48 HA 1
   ATOM 1011 HB2 A LYS A 49 ? -11.57203 15.57259 12.97385 0.701 12.86201 H ? A ? 48 HB2 1
   ATOM 1012 HB3 A LYS A 49 ? -12.24849 14.24527 13.52706 0.701 12.86201 H ? A ? 48 HB3 1
   ATOM 1013 HG2 A LYS A 49 ? -12.33427 13.42290 11.31954 0.701 13.48378 H ? A ? 48 HG2 1
   ATOM 1014 HG3 A LYS A 49 ? -11.53903 14.71325 10.84205 0.701 13.48378 H ? A ? 48 HG3 1
   ATOM 1015 HD2 A LYS A 49 ? -9.72046 14.04386 12.21519 0.701 17.21302 H ? A ? 48 HD2 1
   ATOM 1016 HD3 A LYS A 49 ? -10.50920 12.70658 12.55426 0.701 17.21302 H ? A ? 48 HD3 1
   ATOM 1017 HE2 A LYS A 49 ? -9.38777 13.36103 10.04307 0.701 36.50493 H ? A ? 48 HE2 1
   ATOM 1018 HE3 A LYS A 49 ? -8.92732 12.16853 10.98719 0.701 36.50493 H ? A ? 48 HE3 1
   ATOM 1019 HZ1 A LYS A 49 ? -10.29188 11.56925 9.16535 0.701 46.96664 H ? A ? 48 HZ1 1
   ATOM 1020 HZ2 A LYS A 49 ? -10.71441 11.01957 10.43721 0.701 46.96664 H ? A ? 48 HZ2 1
   ATOM 1021 HZ3 A LYS A 49 ? -11.41008 12.15813 9.87328 0.701 46.96664 H ? A ? 48 HZ3 1
   ATOM 1022 N B LYS A 49 ? -13.91067 15.66372 14.14906 0.299 8.37102 N ? A ? 48 N 1
   ATOM 1023 CA B LYS A 49 ? -13.44281 15.12855 12.87952 0.299 7.16115 C ? A ? 48 CA 1
   ATOM 1024 C B LYS A 49 ? -14.48097 14.23637 12.27031 0.299 5.38842 C ? A ? 48 C 1
   ATOM 1025 O B LYS A 49 ? -14.79831 14.33387 11.08161 0.299 7.61856 O ? A ? 48 O 1
   ATOM 1026 CB B LYS A 49 ? -12.11222 14.38678 13.09614 0.299 5.50115 C ? A ? 48 CB 1
   ATOM 1027 CG B LYS A 49 ? -11.66868 13.66048 11.87324 0.299 13.04967 C ? A ? 48 CG 1
   ATOM 1028 CD B LYS A 49 ? -10.45995 12.78507 12.15938 0.299 12.20385 C ? A ? 48 CD 1
   ATOM 1029 CE B LYS A 49 ? -10.00116 12.00710 10.93718 0.299 18.49231 C ? A ? 48 CE 1
   ATOM 1030 NZ B LYS A 49 ? -9.02766 10.89891 11.28161 0.299 18.75352 N ? A ? 48 NZ 1
   ATOM 1031 H B LYS A 49 ? -13.45891 15.41790 14.83831 0.299 10.04616 H ? A ? 48 H 1
   ATOM 1032 HA B LYS A 49 ? -13.27712 15.85302 12.25615 0.299 8.59431 H ? A ? 48 HA 1
   ATOM 1033 HB2 B LYS A 49 ? -11.42499 15.02902 13.33308 0.299 6.60232 H ? A ? 48 HB2 1
   ATOM 1034 HB3 B LYS A 49 ? -12.22160 13.73935 13.81012 0.299 6.60232 H ? A ? 48 HB3 1
   ATOM 1035 HG2 B LYS A 49 ? -12.38893 13.09319 11.55651 0.299 15.66054 H ? A ? 48 HG2 1
   ATOM 1036 HG3 B LYS A 49 ? -11.42593 14.30232 11.18766 0.299 15.66054 H ? A ? 48 HG3 1
   ATOM 1037 HD2 B LYS A 49 ? -9.72444 13.34560 12.45218 0.299 14.64556 H ? A ? 48 HD2 1
   ATOM 1038 HD3 B LYS A 49 ? -10.68755 12.14698 12.85360 0.299 14.64556 H ? A ? 48 HD3 1
   ATOM 1039 HE2 B LYS A 49 ? -10.77351 11.60567 10.50913 0.299 22.19171 H ? A ? 48 HE2 1
   ATOM 1040 HE3 B LYS A 49 ? -9.55957 12.61417 10.32288 0.299 22.19171 H ? A ? 48 HE3 1
   ATOM 1041 HZ1 B LYS A 49 ? -9.29794 10.13258 10.91859 0.299 22.50516 H ? A ? 48 HZ1 1
   ATOM 1042 HZ2 B LYS A 49 ? -8.21815 11.09685 10.96918 0.299 22.50516 H ? A ? 48 HZ2 1
   ATOM 1043 HZ3 B LYS A 49 ? -8.97999 10.79919 12.16472 0.299 22.50516 H ? A ? 48 HZ3 1
   ATOM 1044 N A THR A 50 ? -15.01143 13.54557 12.89735 0.701 7.57623 N ? A ? 49 N 1
   ATOM 1045 CA A THR A 50 ? -16.08067 12.61762 12.44007 0.701 8.94811 C ? A ? 49 CA 1
   ATOM 1046 C A THR A 50 ? -17.30135 13.39945 11.99697 0.701 9.28687 C ? A ? 49 C 1
   ATOM 1047 O A THR A 50 ? -17.86336 13.21113 10.89461 0.701 9.07363 O ? A ? 49 O 1
   ATOM 1048 CB A THR A 50 ? -16.42058 11.62268 13.59229 0.701 10.04698 C ? A ? 49 CB 1
   ATOM 1049 OG1 A THR A 50 ? -15.25639 10.81002 13.91810 0.701 12.97809 O ? A ? 49 OG1 1
   ATOM 1050 CG2 A THR A 50 ? -17.58628 10.69579 13.21596 0.701 12.92321 C ? A ? 49 CG2 1
   ATOM 1051 H A THR A 50 ? -14.72328 13.39736 13.69397 0.701 9.09241 H ? A ? 49 H 1
   ATOM 1052 HA A THR A 50 ? -15.77332 12.09760 11.68112 0.701 10.73868 H ? A ? 49 HA 1
   ATOM 1053 HB A THR A 50 ? -16.68516 12.14001 14.36900 0.701 12.05731 H ? A ? 49 HB 1
   ATOM 1054 HG1 A THR A 50 ? -14.66427 11.28664 14.27563 0.701 15.57465 H ? A ? 49 HG1 1
   ATOM 1055 HG21 A THR A 50 ? -17.60126 9.92552 13.80534 0.701 15.50879 H ? A ? 49 HG21 1
   ATOM 1056 HG22 A THR A 50 ? -18.42784 11.17116 13.29774 0.701 15.50879 H ? A ? 49 HG22 1
   ATOM 1057 HG23 A THR A 50 ? -17.48502 10.39012 12.30097 0.701 15.50879 H ? A ? 49 HG23 1
   ATOM 1058 N B THR A 50 ? -15.03810 13.36575 13.07632 0.299 10.02420 N ? A ? 49 N 1
   ATOM 1059 CA B THR A 50 ? -16.06550 12.48273 12.56184 0.299 9.78693 C ? A ? 49 CA 1
   ATOM 1060 C B THR A 50 ? -17.30471 13.22195 12.10727 0.299 7.22717 C ? A ? 49 C 1
   ATOM 1061 O B THR A 50 ? -17.85823 12.84135 11.07558 0.299 7.14463 O ? A ? 49 O 1
   ATOM 1062 CB B THR A 50 ? -16.42932 11.44766 13.60093 0.299 10.72946 C ? A ? 49 CB 1
   ATOM 1063 OG1 B THR A 50 ? -15.27219 10.63619 13.77815 0.299 12.60533 O ? A ? 49 OG1 1
   ATOM 1064 CG2 B THR A 50 ? -17.59091 10.60349 13.09207 0.299 12.31921 C ? A ? 49 CG2 1
   ATOM 1065 H B THR A 50 ? -14.84744 13.26355 13.90867 0.299 12.02998 H ? A ? 49 H 1
   ATOM 1066 HA B THR A 50 ? -15.69894 12.03279 11.78461 0.299 11.74525 H ? A ? 49 HA 1
   ATOM 1067 HB B THR A 50 ? -16.70324 11.84482 14.44244 0.299 12.87629 H ? A ? 49 HB 1
   ATOM 1068 HG1 B THR A 50 ? -15.08877 10.23708 13.06214 0.299 15.12734 H ? A ? 49 HG1 1
   ATOM 1069 HG21 B THR A 50 ? -17.64320 9.77463 13.59323 0.299 14.78399 H ? A ? 49 HG21 1
   ATOM 1070 HG22 B THR A 50 ? -18.42447 11.08822 13.19748 0.299 14.78399 H ? A ? 49 HG22 1
   ATOM 1071 HG23 B THR A 50 ? -17.46394 10.39610 12.15304 0.299 14.78399 H ? A ? 49 HG23 1
   ATOM 1072 N . LEU A 51 ? -17.77906 14.26371 12.86105 1.000 8.28640 N ? A ? 50 N 1
   ATOM 1073 CA . LEU A 51 ? -19.01341 14.96570 12.54717 1.000 8.10677 C ? A ? 50 CA 1
   ATOM 1074 C . LEU A 51 ? -18.87181 15.83606 11.32832 1.000 9.09036 C ? A ? 50 C 1
   ATOM 1075 O . LEU A 51 ? -19.81423 15.97019 10.52269 1.000 10.23928 O ? A ? 50 O 1
   ATOM 1076 CB . LEU A 51 ? -19.39792 15.86725 13.72476 1.000 10.03447 C ? A ? 50 CB 1
   ATOM 1077 CG . LEU A 51 ? -19.77933 15.13792 14.98794 1.000 9.74777 C ? A ? 50 CG 1
   ATOM 1078 CD1 . LEU A 51 ? -19.97909 16.19669 16.11397 1.000 10.11596 C ? A ? 50 CD1 1
   ATOM 1079 CD2 . LEU A 51 ? -21.12835 14.35774 14.78405 1.000 12.04020 C ? A ? 50 CD2 1
   ATOM 1080 HA . LEU A 51 ? -19.70478 14.30419 12.38810 1.000 9.72906 H ? A ? 50 HA 1
   ATOM 1081 HB2 . LEU A 51 ? -18.64122 16.43682 13.93425 1.000 12.04230 H ? A ? 50 HB2 1
   ATOM 1082 HB3 . LEU A 51 ? -20.15780 16.40905 13.46031 1.000 12.04230 H ? A ? 50 HB3 1
   ATOM 1083 HG . LEU A 51 ? -19.08728 14.50205 15.22802 1.000 11.69826 H ? A ? 50 HG 1
   ATOM 1084 HD11 . LEU A 51 ? -20.42866 15.77823 16.86476 1.000 12.14008 H ? A ? 50 HD11 1
   ATOM 1085 HD12 . LEU A 51 ? -19.11147 16.52976 16.39180 1.000 12.14008 H ? A ? 50 HD12 1
   ATOM 1086 HD13 . LEU A 51 ? -20.51858 16.92570 15.76989 1.000 12.14008 H ? A ? 50 HD13 1
   ATOM 1087 HD21 . LEU A 51 ? -21.41330 13.99166 15.63592 1.000 14.44918 H ? A ? 50 HD21 1
   ATOM 1088 HD22 . LEU A 51 ? -21.79981 14.97089 14.44629 1.000 14.44918 H ? A ? 50 HD22 1
   ATOM 1089 HD23 . LEU A 51 ? -20.98512 13.64039 14.14703 1.000 14.44918 H ? A ? 50 HD23 1
   ATOM 1090 H A LEU A 51 ? -17.42294 14.46204 13.61831 0.701 9.94462 H ? A ? 50 H 1
   ATOM 1091 H B LEU A 51 ? -17.38469 14.56932 13.56153 0.299 9.94462 H ? A ? 50 H 1
   ATOM 1092 N . SER A 52 ? -17.67197 16.41880 11.10565 1.000 8.93837 N ? A ? 51 N 1
   ATOM 1093 CA . SER A 52 ? -17.43515 17.33444 10.01343 1.000 9.10340 C ? A ? 51 CA 1
   ATOM 1094 C . SER A 52 ? -17.45721 16.69232 8.65832 1.000 8.81871 C ? A ? 51 C 1
   ATOM 1095 O . SER A 52 ? -17.52230 17.43018 7.65633 1.000 9.54339 O ? A ? 51 O 1
   ATOM 1096 H . SER A 52 ? -16.97629 16.28559 11.59338 1.000 10.72698 H ? A ? 51 H 1
   ATOM 1097 HA . SER A 52 ? -18.12623 18.01508 10.01938 1.000 10.92501 H ? A ? 51 HA 1
   ATOM 1098 CB A SER A 52 ? -16.01073 17.95094 10.22752 0.577 9.57438 C ? A ? 51 CB 1
   ATOM 1099 OG A SER A 52 ? -15.01589 16.94379 10.02905 0.577 13.73588 O ? A ? 51 OG 1
   ATOM 1100 HB2 A SER A 52 ? -15.87263 18.66801 9.58905 0.577 11.49020 H ? A ? 51 HB2 1
   ATOM 1101 HB3 A SER A 52 ? -15.94290 18.29452 11.13209 0.577 11.49020 H ? A ? 51 HB3 1
   ATOM 1102 HG A SER A 52 ? -14.85651 16.55058 10.75402 0.577 16.48400 H ? A ? 51 HG 1
   ATOM 1103 CB B SER A 52 ? -16.19739 18.21793 10.19636 0.423 7.65319 C ? A ? 51 CB 1
   ATOM 1104 OG B SER A 52 ? -16.35161 19.10184 11.30499 0.423 6.44553 O ? A ? 51 OG 1
   ATOM 1105 HB2 B SER A 52 ? -15.42658 17.65012 10.35234 0.423 9.18476 H ? A ? 51 HB2 1
   ATOM 1106 HB3 B SER A 52 ? -16.06500 18.74341 9.39184 0.423 9.18476 H ? A ? 51 HB3 1
   ATOM 1107 HG B SER A 52 ? -16.97804 19.64158 11.15712 0.423 7.73557 H ? A ? 51 HG 1
   ATOM 1108 N . ALA A 53 ? -17.38980 15.38252 8.58143 1.000 7.63558 N ? A ? 52 N 1
   ATOM 1109 CA . ALA A 53 ? -17.52315 14.66566 7.34175 1.000 8.63694 C ? A ? 52 CA 1
   ATOM 1110 C . ALA A 53 ? -18.98313 14.36922 7.01267 1.000 8.38596 C ? A ? 52 C 1
   ATOM 1111 O . ALA A 53 ? -19.21938 13.91448 5.86848 1.000 12.09581 O ? A ? 52 O 1
   ATOM 1112 CB . ALA A 53 ? -16.70743 13.37435 7.40339 1.000 9.67236 C ? A ? 52 CB 1
   ATOM 1113 H . ALA A 53 ? -17.26268 14.86932 9.25970 1.000 9.16363 H ? A ? 52 H 1
   ATOM 1114 HA . ALA A 53 ? -17.16060 15.18964 6.61037 1.000 10.36527 H ? A ? 52 HA 1
   ATOM 1115 HB1 . ALA A 53 ? -16.81777 12.89101 6.56966 1.000 11.60777 H ? A ? 52 HB1 1
   ATOM 1116 HB2 . ALA A 53 ? -15.77265 13.59730 7.53527 1.000 11.60777 H ? A ? 52 HB2 1
   ATOM 1117 HB3 . ALA A 53 ? -17.02630 12.83441 8.14345 1.000 11.60777 H ? A ? 52 HB3 1
   ATOM 1118 N . LEU A 54 ? -19.89649 14.50336 7.88229 1.000 8.80492 N ? A ? 53 N 1
   ATOM 1119 CA . LEU A 54 ? -21.25657 13.97952 7.72444 1.000 8.50831 C ? A ? 53 CA 1
   ATOM 1120 C . LEU A 54 ? -22.21268 14.83536 6.93792 1.000 8.12358 C ? A ? 53 C 1
   ATOM 1121 O . LEU A 54 ? -23.09164 14.27624 6.25267 1.000 8.21026 O ? A ? 53 O 1
   ATOM 1122 CB . LEU A 54 ? -21.84686 13.62001 9.05471 1.000 9.43661 C ? A ? 53 CB 1
   ATOM 1123 CG . LEU A 54 ? -21.12516 12.59836 9.89049 1.000 11.17713 C ? A ? 53 CG 1
   ATOM 1124 CD1 . LEU A 54 ? -21.79526 12.25147 11.12780 1.000 10.78564 C ? A ? 53 CD1 1
   ATOM 1125 CD2 . LEU A 54 ? -20.88732 11.31652 9.12436 1.000 12.07674 C ? A ? 53 CD2 1
   ATOM 1126 H . LEU A 54 ? -19.78292 14.91292 8.62993 1.000 10.56684 H ? A ? 53 H 1
   ATOM 1127 HA . LEU A 54 ? -21.15225 13.18811 7.17336 1.000 10.21091 H ? A ? 53 HA 1
   ATOM 1128 HB2 . LEU A 54 ? -21.89522 14.43081 9.58497 1.000 11.32487 H ? A ? 53 HB2 1
   ATOM 1129 HB3 . LEU A 54 ? -22.73879 13.27263 8.89764 1.000 11.32487 H ? A ? 53 HB3 1
   ATOM 1130 HG . LEU A 54 ? -20.28450 13.02525 10.11841 1.000 13.41349 H ? A ? 53 HG 1
   ATOM 1131 HD11 . LEU A 54 ? -21.26523 11.58989 11.59926 1.000 12.94371 H ? A ? 53 HD11 1
   ATOM 1132 HD12 . LEU A 54 ? -21.88787 13.04956 11.67129 1.000 12.94371 H ? A ? 53 HD12 1
   ATOM 1133 HD13 . LEU A 54 ? -22.67074 11.88820 10.92171 1.000 12.94371 H ? A ? 53 HD13 1
   ATOM 1134 HD21 . LEU A 54 ? -20.56945 10.63606 9.73823 1.000 14.49303 H ? A ? 53 HD21 1
   ATOM 1135 HD22 . LEU A 54 ? -21.72095 11.03212 8.71809 1.000 14.49303 H ? A ? 53 HD22 1
   ATOM 1136 HD23 . LEU A 54 ? -20.22252 11.47829 8.43677 1.000 14.49303 H ? A ? 53 HD23 1
   ATOM 1137 N . PRO A 55 ? -22.23767 16.17303 7.03122 1.000 8.21857 N ? A ? 54 N 1
   ATOM 1138 CA . PRO A 55 ? -23.36158 16.89109 6.42282 1.000 9.16470 C ? A ? 54 CA 1
   ATOM 1139 C . PRO A 55 ? -23.45303 16.71005 4.92617 1.000 8.62360 C ? A ? 54 C 1
   ATOM 1140 O . PRO A 55 ? -24.54141 16.75642 4.33382 1.000 9.49784 O ? A ? 54 O 1
   ATOM 1141 CB . PRO A 55 ? -23.10339 18.34384 6.78324 1.000 8.13432 C ? A ? 54 CB 1
   ATOM 1142 CG . PRO A 55 ? -22.30336 18.30089 8.06650 1.000 9.33160 C ? A ? 54 CG 1
   ATOM 1143 CD . PRO A 55 ? -21.38346 17.06354 7.85149 1.000 8.15709 C ? A ? 54 CD 1
   ATOM 1144 HA . PRO A 55 ? -24.18838 16.60073 6.83876 1.000 10.99858 H ? A ? 54 HA 1
   ATOM 1145 HB2 . PRO A 55 ? -22.59873 18.77368 6.07511 1.000 9.76212 H ? A ? 54 HB2 1
   ATOM 1146 HB3 . PRO A 55 ? -23.94656 18.80451 6.91642 1.000 9.76212 H ? A ? 54 HB3 1
   ATOM 1147 HG2 . PRO A 55 ? -21.78582 19.11444 8.17227 1.000 11.19886 H ? A ? 54 HG2 1
   ATOM 1148 HG3 . PRO A 55 ? -22.89002 18.17935 8.82937 1.000 11.19886 H ? A ? 54 HG3 1
   ATOM 1149 HD2 . PRO A 55 ? -20.57524 17.30837 7.37427 1.000 9.78945 H ? A ? 54 HD2 1
   ATOM 1150 HD3 . PRO A 55 ? -21.15595 16.64674 8.69731 1.000 9.78945 H ? A ? 54 HD3 1
   ATOM 1151 N . TRP A 56 ? -22.32289 16.53440 4.24458 1.000 8.91924 N ? A ? 55 N 1
   ATOM 1152 CA . TRP A 56 ? -22.26506 16.84005 2.80277 1.000 10.53120 C ? A ? 55 CA 1
   ATOM 1153 C . TRP A 56 ? -23.08085 15.80879 1.98689 1.000 10.82225 C ? A ? 55 C 1
   ATOM 1154 O . TRP A 56 ? -23.74164 16.17184 0.97039 1.000 11.56162 O ? A ? 55 O 1
   ATOM 1155 H . TRP A 56 ? -21.58539 16.24540 4.57952 1.000 10.70402 H ? A ? 55 H 1
   ATOM 1156 HA . TRP A 56 ? -22.68165 17.69239 2.60059 1.000 12.63838 H ? A ? 55 HA 1
   ATOM 1157 CB A TRP A 56 ? -20.82787 16.95781 2.31014 0.137 10.97625 C ? A ? 55 CB 1
   ATOM 1158 CG A TRP A 56 ? -20.01410 17.62699 3.31483 0.137 9.71269 C ? A ? 55 CG 1
   ATOM 1159 CD1 A TRP A 56 ? -18.96556 17.08691 3.95657 0.137 7.29612 C ? A ? 55 CD1 1
   ATOM 1160 CD2 A TRP A 56 ? -20.21382 18.94105 3.87406 0.137 8.51007 C ? A ? 55 CD2 1
   ATOM 1161 NE1 A TRP A 56 ? -18.50764 17.95552 4.88462 0.137 4.33986 N ? A ? 55 NE1 1
   ATOM 1162 CE2 A TRP A 56 ? -19.23213 19.12063 4.84280 0.137 12.71844 C ? A ? 55 CE2 1
   ATOM 1163 CE3 A TRP A 56 ? -21.13410 19.97153 3.64035 0.137 8.14186 C ? A ? 55 CE3 1
   ATOM 1164 CZ2 A TRP A 56 ? -19.12702 20.28080 5.58493 0.137 10.49947 C ? A ? 55 CZ2 1
   ATOM 1165 CZ3 A TRP A 56 ? -21.03300 21.12882 4.36555 0.137 10.85948 C ? A ? 55 CZ3 1
   ATOM 1166 CH2 A TRP A 56 ? -20.02878 21.28151 5.32961 0.137 13.62056 C ? A ? 55 CH2 1
   ATOM 1167 HB2 A TRP A 56 ? -20.46320 16.07311 2.15133 0.137 13.17243 H ? A ? 55 HB2 1
   ATOM 1168 HB3 A TRP A 56 ? -20.80437 17.47814 1.49185 0.137 13.17243 H ? A ? 55 HB3 1
   ATOM 1169 HD1 A TRP A 56 ? -18.60931 16.24452 3.78814 0.137 8.75628 H ? A ? 55 HD1 1
   ATOM 1170 HE1 A TRP A 56 ? -17.85596 17.80068 5.42400 0.137 5.20877 H ? A ? 55 HE1 1
   ATOM 1171 HE3 A TRP A 56 ? -21.80337 19.87109 3.00248 0.137 9.77117 H ? A ? 55 HE3 1
   ATOM 1172 HZ2 A TRP A 56 ? -18.46853 20.37958 6.23419 0.137 12.60031 H ? A ? 55 HZ2 1
   ATOM 1173 HZ3 A TRP A 56 ? -21.63707 21.82001 4.21637 0.137 13.03231 H ? A ? 55 HZ3 1
   ATOM 1174 HH2 A TRP A 56 ? -19.97242 22.07800 5.80640 0.137 16.34561 H ? A ? 55 HH2 1
   ATOM 1175 CB B TRP A 56 ? -20.75254 17.04444 2.35145 0.863 11.19441 C ? A ? 55 CB 1
   ATOM 1176 CG B TRP A 56 ? -20.04052 17.81836 3.40352 0.863 9.63845 C ? A ? 55 CG 1
   ATOM 1177 CD1 B TRP A 56 ? -19.03845 17.31674 4.20626 0.863 10.23797 C ? A ? 55 CD1 1
   ATOM 1178 CD2 B TRP A 56 ? -20.43496 19.08509 4.01739 0.863 8.64524 C ? A ? 55 CD2 1
   ATOM 1179 NE1 B TRP A 56 ? -18.76041 18.17870 5.18990 0.863 9.79505 N ? A ? 55 NE1 1
   ATOM 1180 CE2 B TRP A 56 ? -19.60329 19.29412 5.11128 0.863 8.64618 C ? A ? 55 CE2 1
   ATOM 1181 CE3 B TRP A 56 ? -21.42569 20.04457 3.73573 0.863 9.82506 C ? A ? 55 CE3 1
   ATOM 1182 CZ2 B TRP A 56 ? -19.73073 20.33495 5.89367 0.863 9.19925 C ? A ? 55 CZ2 1
   ATOM 1183 CZ3 B TRP A 56 ? -21.53554 21.12004 4.50701 0.863 10.21271 C ? A ? 55 CZ3 1
   ATOM 1184 CH2 B TRP A 56 ? -20.68441 21.26516 5.59757 0.863 9.26600 C ? A ? 55 CH2 1
   ATOM 1185 HB2 B TRP A 56 ? -20.31975 16.18303 2.24393 0.863 13.43424 H ? A ? 55 HB2 1
   ATOM 1186 HB3 B TRP A 56 ? -20.71972 17.53862 1.51742 0.863 13.43424 H ? A ? 55 HB3 1
   ATOM 1187 HD1 B TRP A 56 ? -18.61675 16.49726 4.08170 0.863 12.28650 H ? A ? 55 HD1 1
   ATOM 1188 HE1 B TRP A 56 ? -18.15094 18.06438 5.78578 0.863 11.75500 H ? A ? 55 HE1 1
   ATOM 1189 HE3 B TRP A 56 ? -21.99988 19.92603 3.01382 0.863 11.79101 H ? A ? 55 HE3 1
   ATOM 1190 HZ2 B TRP A 56 ? -19.18199 20.43891 6.63729 0.863 11.04004 H ? A ? 55 HZ2 1
   ATOM 1191 HZ3 B TRP A 56 ? -22.17469 21.76921 4.32000 0.863 12.25619 H ? A ? 55 HZ3 1
   ATOM 1192 HH2 B TRP A 56 ? -20.76747 22.01634 6.13954 0.863 11.12014 H ? A ? 55 HH2 1
   ATOM 1193 N . ALA A 57 ? -23.10016 14.58401 2.44888 1.000 9.84041 N ? A ? 56 N 1
   ATOM 1194 CA . ALA A 57 ? -23.83390 13.52730 1.75843 1.000 11.36778 C ? A ? 56 CA 1
   ATOM 1195 C . ALA A 57 ? -25.30887 13.66477 1.92657 1.000 10.12921 C ? A ? 56 C 1
   ATOM 1196 O . ALA A 57 ? -26.07553 12.98341 1.17795 1.000 11.38196 O ? A ? 56 O 1
   ATOM 1197 CB . ALA A 57 ? -23.37423 12.17260 2.37300 1.000 15.03453 C ? A ? 56 CB 1
   ATOM 1198 H . ALA A 57 ? -22.69770 14.32580 3.16369 1.000 11.80943 H ? A ? 56 H 1
   ATOM 1199 HA . ALA A 57 ? -23.64362 13.54426 0.80743 1.000 13.64227 H ? A ? 56 HA 1
   ATOM 1200 HB1 . ALA A 57 ? -23.85318 11.44984 1.93812 1.000 18.04237 H ? A ? 56 HB1 1
   ATOM 1201 HB2 . ALA A 57 ? -22.42015 12.06929 2.23172 1.000 18.04237 H ? A ? 56 HB2 1
   ATOM 1202 HB3 . ALA A 57 ? -23.56965 12.17436 3.32311 1.000 18.04237 H ? A ? 56 HB3 1
   ATOM 1203 N . ALA A 58 ? -25.76709 14.60570 2.73605 1.000 9.10361 N ? A ? 57 N 1
   ATOM 1204 CA . ALA A 58 ? -27.17006 14.92165 2.89441 1.000 8.66317 C ? A ? 57 CA 1
   ATOM 1205 C . ALA A 58 ? -27.59142 16.16509 2.13626 1.000 9.16001 C ? A ? 57 C 1
   ATOM 1206 O . ALA A 58 ? -28.69133 16.65546 2.33135 1.000 9.50129 O ? A ? 57 O 1
   ATOM 1207 CB . ALA A 58 ? -27.51452 15.01428 4.36829 1.000 9.41602 C ? A ? 57 CB 1
   ATOM 1208 H . ALA A 58 ? -25.25824 15.09624 3.22598 1.000 10.92526 H ? A ? 57 H 1
   ATOM 1209 HA . ALA A 58 ? -27.69467 14.19549 2.52242 1.000 10.39674 H ? A ? 57 HA 1
   ATOM 1210 HB1 . ALA A 58 ? -28.42237 15.34327 4.46036 1.000 11.30016 H ? A ? 57 HB1 1
   ATOM 1211 HB2 . ALA A 58 ? -27.44024 14.13268 4.76598 1.000 11.30016 H ? A ? 57 HB2 1
   ATOM 1212 HB3 . ALA A 58 ? -26.89615 15.62478 4.79936 1.000 11.30016 H ? A ? 57 HB3 1
   ATOM 1213 N . PHE A 59 ? -26.75623 16.61336 1.20083 1.000 10.18415 N ? A ? 58 N 1
   ATOM 1214 CA . PHE A 59 ? -27.11434 17.59775 0.18747 1.000 9.96658 C ? A ? 58 CA 1
   ATOM 1215 C . PHE A 59 ? -27.11390 16.94970 -1.19707 1.000 11.35167 C ? A ? 58 C 1
   ATOM 1216 O . PHE A 59 ? -26.68699 17.53262 -2.20128 1.000 11.87410 O ? A ? 58 O 1
   ATOM 1217 CB . PHE A 59 ? -26.20442 18.81672 0.21089 1.000 11.22573 C ? A ? 58 CB 1
   ATOM 1218 CG . PHE A 59 ? -26.19748 19.65663 1.47421 1.000 9.63515 C ? A ? 58 CG 1
   ATOM 1219 CD1 . PHE A 59 ? -25.37366 19.36953 2.56594 1.000 10.62061 C ? A ? 58 CD1 1
   ATOM 1220 CD2 . PHE A 59 ? -27.00956 20.74756 1.58431 1.000 9.94561 C ? A ? 58 CD2 1
   ATOM 1221 CE1 . PHE A 59 ? -25.34402 20.13748 3.65210 1.000 9.23904 C ? A ? 58 CE1 1
   ATOM 1222 CE2 . PHE A 59 ? -26.97639 21.55157 2.64945 1.000 10.56425 C ? A ? 58 CE2 1
   ATOM 1223 CZ . PHE A 59 ? -26.08140 21.29136 3.73531 1.000 9.20343 C ? A ? 58 CZ 1
   ATOM 1224 H . PHE A 59 ? -25.94090 16.34861 1.13198 1.000 12.22191 H ? A ? 58 H 1
   ATOM 1225 HA . PHE A 59 ? -28.00524 17.92579 0.38644 1.000 11.96083 H ? A ? 58 HA 1
   ATOM 1226 HB2 . PHE A 59 ? -25.29419 18.51175 0.07166 1.000 13.47181 H ? A ? 58 HB2 1
   ATOM 1227 HB3 . PHE A 59 ? -26.47256 19.40263 -0.51417 1.000 13.47181 H ? A ? 58 HB3 1
   ATOM 1228 HD1 . PHE A 59 ? -24.82824 18.61701 2.53218 1.000 12.74567 H ? A ? 58 HD1 1
   ATOM 1229 HD2 . PHE A 59 ? -27.60501 20.93700 0.89551 1.000 11.93567 H ? A ? 58 HD2 1
   ATOM 1230 HE1 . PHE A 59 ? -24.81105 19.88619 4.37161 1.000 11.08779 H ? A ? 58 HE1 1
   ATOM 1231 HE2 . PHE A 59 ? -27.54145 22.28930 2.68624 1.000 12.67804 H ? A ? 58 HE2 1
   ATOM 1232 HZ . PHE A 59 ? -26.00391 21.87229 4.45740 1.000 11.04505 H ? A ? 58 HZ 1
   ATOM 1233 N . GLY A 60 ? -27.61476 15.74987 -1.29369 1.000 11.00118 N ? A ? 59 N 1
   ATOM 1234 CA . GLY A 60 ? -27.76416 15.11059 -2.58134 1.000 14.89750 C ? A ? 59 CA 1
   ATOM 1235 C . GLY A 60 ? -28.81343 15.79694 -3.45177 1.000 12.55779 C ? A ? 59 C 1
   ATOM 1236 O . GLY A 60 ? -29.48285 16.72348 -3.11087 1.000 14.77160 O ? A ? 59 O 1
   ATOM 1237 H . GLY A 60 ? -27.87964 15.27582 -0.62682 1.000 13.20235 H ? A ? 59 H 1
   ATOM 1238 HA2 . GLY A 60 ? -26.91571 15.13200 -3.05100 1.000 17.87794 H ? A ? 59 HA2 1
   ATOM 1239 HA3 . GLY A 60 ? -28.03052 14.18684 -2.45242 1.000 17.87794 H ? A ? 59 HA3 1
   ATOM 1240 N . PRO A 61 ? -28.69242 15.51293 -4.77931 1.000 14.96452 N ? A ? 60 N 1
   ATOM 1241 CA . PRO A 61 ? -29.59419 16.10503 -5.78126 1.000 20.36315 C ? A ? 60 CA 1
   ATOM 1242 C . PRO A 61 ? -31.06780 16.07508 -5.36508 1.000 12.93616 C ? A ? 60 C 1
   ATOM 1243 O . PRO A 61 ? -31.52977 15.07570 -4.95299 1.000 15.70728 O ? A ? 60 O 1
   ATOM 1244 CB . PRO A 61 ? -29.34526 15.20964 -7.02234 1.000 26.80896 C ? A ? 60 CB 1
   ATOM 1245 CG . PRO A 61 ? -28.09153 14.40589 -6.76971 1.000 32.89304 C ? A ? 60 CG 1
   ATOM 1246 CD . PRO A 61 ? -27.94078 14.33507 -5.25807 1.000 27.94745 C ? A ? 60 CD 1
   ATOM 1247 HA . PRO A 61 ? -29.33894 17.02535 -5.95086 1.000 24.43672 H ? A ? 60 HA 1
   ATOM 1248 HB2 . PRO A 61 ? -30.10459 14.61890 -7.14621 1.000 32.17169 H ? A ? 60 HB2 1
   ATOM 1249 HB3 . PRO A 61 ? -29.23222 15.77297 -7.80386 1.000 32.17169 H ? A ? 60 HB3 1
   ATOM 1250 HG2 . PRO A 61 ? -28.19072 13.51780 -7.14701 1.000 39.47258 H ? A ? 60 HG2 1
   ATOM 1251 HG3 . PRO A 61 ? -27.32982 14.85336 -7.17030 1.000 39.47258 H ? A ? 60 HG3 1
   ATOM 1252 HD2 . PRO A 61 ? -28.32763 13.51580 -4.91160 1.000 33.53788 H ? A ? 60 HD2 1
   ATOM 1253 HD3 . PRO A 61 ? -27.00710 14.39525 -5.00209 1.000 33.53788 H ? A ? 60 HD3 1
   ATOM 1254 N . GLY A 62 ? -31.73554 17.22780 -5.59232 1.000 14.49040 N ? A ? 61 N 1
   ATOM 1255 CA . GLY A 62 ? -33.12561 17.21238 -5.28998 1.000 13.14414 C ? A ? 61 CA 1
   ATOM 1256 C . GLY A 62 ? -33.47406 17.43591 -3.80105 1.000 25.27119 C ? A ? 61 C 1
   ATOM 1257 O . GLY A 62 ? -34.66868 17.43125 -3.45035 1.000 18.92856 O ? A ? 61 O 1
   ATOM 1258 H . GLY A 62 ? -31.40442 17.96015 -5.89830 1.000 17.38942 H ? A ? 61 H 1
   ATOM 1259 HA2 . GLY A 62 ? -33.56198 17.91038 -5.80309 1.000 15.77391 H ? A ? 61 HA2 1
   ATOM 1260 HA3 . GLY A 62 ? -33.49019 16.35267 -5.55243 1.000 15.77391 H ? A ? 61 HA3 1
   ATOM 1261 N . THR A 63 ? -32.47400 17.67501 -2.90982 1.000 14.43123 N ? A ? 62 N 1
   ATOM 1262 CA . THR A 63 ? -32.69532 17.88261 -1.45846 1.000 13.78995 C ? A ? 62 CA 1
   ATOM 1263 C . THR A 63 ? -32.77754 19.32309 -1.11474 1.000 13.39008 C ? A ? 62 C 1
   ATOM 1264 O . THR A 63 ? -32.45777 19.59727 0.06033 1.000 12.67821 O ? A ? 62 O 1
   ATOM 1265 CB . THR A 63 ? -31.73109 17.06920 -0.58805 1.000 13.66422 C ? A ? 62 CB 1
   ATOM 1266 OG1 . THR A 63 ? -30.38821 17.52495 -0.74711 1.000 12.85291 O ? A ? 62 OG1 1
   ATOM 1267 CG2 . THR A 63 ? -31.67390 15.66864 -0.85190 1.000 15.37259 C ? A ? 62 CG2 1
   ATOM 1268 H . THR A 63 ? -31.64423 17.72159 -3.13097 1.000 17.31841 H ? A ? 62 H 1
   ATOM 1269 HA . THR A 63 ? -33.55352 17.50010 -1.21747 1.000 16.54888 H ? A ? 62 HA 1
   ATOM 1270 HB . THR A 63 ? -32.08271 17.19510 0.30717 1.000 16.39800 H ? A ? 62 HB 1
   ATOM 1271 HG1 . THR A 63 ? -29.85862 16.99818 -0.36285 1.000 15.42443 H ? A ? 62 HG1 1
   ATOM 1272 HG21 . THR A 63 ? -31.05754 15.24020 -0.23755 1.000 18.44805 H ? A ? 62 HG21 1
   ATOM 1273 HG22 . THR A 63 ? -32.55320 15.27415 -0.74188 1.000 18.44805 H ? A ? 62 HG22 1
   ATOM 1274 HG23 . THR A 63 ? -31.37106 15.51430 -1.76040 1.000 18.44805 H ? A ? 62 HG23 1
   ATOM 1275 N . GLU A 64 ? -33.23712 20.23867 -2.01081 1.000 12.52082 N ? A ? 63 N 1
   ATOM 1276 CA . GLU A 64 ? -33.55808 21.55863 -1.66821 1.000 12.51288 C ? A ? 63 CA 1
   ATOM 1277 C . GLU A 64 ? -34.43968 21.50106 -0.45362 1.000 11.70229 C ? A ? 63 C 1
   ATOM 1278 O . GLU A 64 ? -35.32621 20.62113 -0.32989 1.000 13.69384 O ? A ? 63 O 1
   ATOM 1279 CB . GLU A 64 ? -34.30557 22.21258 -2.83419 1.000 14.89674 C ? A ? 63 CB 1
   ATOM 1280 CG . GLU A 64 ? -33.44638 22.55815 -4.09817 1.000 14.33617 C ? A ? 63 CG 1
   ATOM 1281 CD . GLU A 64 ? -33.04657 21.41861 -4.95091 1.000 14.20924 C ? A ? 63 CD 1
   ATOM 1282 OE1 . GLU A 64 ? -33.44357 20.20602 -4.75821 1.000 14.79462 O ? A ? 63 OE1 1
   ATOM 1283 OE2 . GLU A 64 ? -32.37907 21.72838 -6.04512 1.000 14.78925 O ? A ? 63 OE2 1
   ATOM 1284 H . GLU A 64 ? -33.36126 20.06991 -2.84490 1.000 15.02593 H ? A ? 63 H 1
   ATOM 1285 HA . GLU A 64 ? -32.76879 22.09194 -1.48517 1.000 15.01640 H ? A ? 63 HA 1
   ATOM 1286 HB2 . GLU A 64 ? -35.00653 21.60693 -3.12184 1.000 17.87702 H ? A ? 63 HB2 1
   ATOM 1287 HB3 . GLU A 64 ? -34.69403 23.04281 -2.51685 1.000 17.87702 H ? A ? 63 HB3 1
   ATOM 1288 HG2 . GLU A 64 ? -33.95888 23.16453 -4.65543 1.000 17.20435 H ? A ? 63 HG2 1
   ATOM 1289 HG3 . GLU A 64 ? -32.63080 22.99055 -3.80024 1.000 17.20435 H ? A ? 63 HG3 1
   ATOM 1290 N . GLY A 65 ? -34.23178 22.48345 0.32087 1.000 12.89091 N ? A ? 64 N 1
   ATOM 1291 CA . GLY A 65 ? -35.02826 22.67542 1.49051 1.000 13.63241 C ? A ? 64 CA 1
   ATOM 1292 C . GLY A 65 ? -34.21050 23.25208 2.61823 1.000 12.30894 C ? A ? 64 C 1
   ATOM 1293 O . GLY A 65 ? -33.02098 23.59831 2.46163 1.000 12.72540 O ? A ? 64 O 1
   ATOM 1294 H . GLY A 65 ? -33.62264 23.07891 0.20263 1.000 15.47003 H ? A ? 64 H 1
   ATOM 1295 HA2 . GLY A 65 ? -35.75685 23.28447 1.29272 1.000 16.35982 H ? A ? 64 HA2 1
   ATOM 1296 HA3 . GLY A 65 ? -35.39650 21.82520 1.77761 1.000 16.35982 H ? A ? 64 HA3 1
   ATOM 1297 N . GLY A 66 ? -34.84433 23.45636 3.74209 1.000 13.84870 N ? A ? 65 N 1
   ATOM 1298 CA . GLY A 66 ? -34.17493 24.06899 4.82174 1.000 14.64219 C ? A ? 65 CA 1
   ATOM 1299 C . GLY A 66 ? -33.74413 25.46684 4.50281 1.000 14.39916 C ? A ? 65 C 1
   ATOM 1300 O . GLY A 66 ? -34.49849 26.24025 3.82899 1.000 16.48714 O ? A ? 65 O 1
   ATOM 1301 H . GLY A 66 ? -35.66388 23.24532 3.89506 1.000 16.61938 H ? A ? 65 H 1
   ATOM 1302 HA2 . GLY A 66 ? -34.76503 24.09880 5.59102 1.000 17.57157 H ? A ? 65 HA2 1
   ATOM 1303 HA3 . GLY A 66 ? -33.38712 23.55025 5.04796 1.000 17.57157 H ? A ? 65 HA3 1
   ATOM 1304 N A ASP A 67 ? -32.56276 25.85104 4.97438 0.380 12.55233 N ? A ? 66 N 1
   ATOM 1305 CA A ASP A 67 ? -31.94905 27.13342 4.67695 0.380 14.18474 C ? A ? 66 CA 1
   ATOM 1306 C A ASP A 67 ? -30.83269 26.96885 3.65985 0.380 12.85532 C ? A ? 66 C 1
   ATOM 1307 O A ASP A 67 ? -30.01967 27.86463 3.48513 0.380 14.61553 O ? A ? 66 O 1
   ATOM 1308 CB A ASP A 67 ? -31.46428 27.80647 5.96673 0.380 16.34543 C ? A ? 66 CB 1
   ATOM 1309 CG A ASP A 67 ? -32.59476 28.49567 6.73573 0.380 32.46578 C ? A ? 66 CG 1
   ATOM 1310 OD1 A ASP A 67 ? -33.52376 29.01986 6.08689 0.380 27.22122 O ? A ? 66 OD1 1
   ATOM 1311 OD2 A ASP A 67 ? -32.56542 28.50520 7.99089 0.380 25.84257 O ? A ? 66 OD2 1
   ATOM 1312 H A ASP A 67 ? -32.07890 25.36261 5.49101 0.380 15.06374 H ? A ? 66 H 1
   ATOM 1313 HA A ASP A 67 ? -32.60564 27.73808 4.29725 0.380 17.02262 H ? A ? 66 HA 1
   ATOM 1314 HB2 A ASP A 67 ? -31.07342 27.13419 6.54653 0.380 19.61545 H ? A ? 66 HB2 1
   ATOM 1315 HB3 A ASP A 67 ? -30.80090 28.47784 5.74294 0.380 19.61545 H ? A ? 66 HB3 1
   ATOM 1316 N B ASP A 67 ? -32.56213 25.83601 4.94790 0.620 12.53189 N ? A ? 66 N 1
   ATOM 1317 CA B ASP A 67 ? -31.98572 27.12969 4.67883 0.620 14.09444 C ? A ? 66 CA 1
   ATOM 1318 C B ASP A 67 ? -30.84340 26.96443 3.69040 0.620 12.92527 C ? A ? 66 C 1
   ATOM 1319 O B ASP A 67 ? -30.04131 27.86331 3.54244 0.620 14.49300 O ? A ? 66 O 1
   ATOM 1320 CB B ASP A 67 ? -31.56626 27.81032 5.98377 0.620 15.94075 C ? A ? 66 CB 1
   ATOM 1321 CG B ASP A 67 ? -32.75856 28.39904 6.78392 0.620 32.05590 C ? A ? 66 CG 1
   ATOM 1322 OD1 B ASP A 67 ? -33.95150 28.34928 6.35678 0.620 23.60591 O ? A ? 66 OD1 1
   ATOM 1323 OD2 B ASP A 67 ? -32.47799 28.89695 7.89573 0.620 28.83365 O ? A ? 66 OD2 1
   ATOM 1324 H B ASP A 67 ? -32.05566 25.33279 5.42732 0.620 15.03921 H ? A ? 66 H 1
   ATOM 1325 HA B ASP A 67 ? -32.63344 27.73618 4.28700 0.620 16.91426 H ? A ? 66 HA 1
   ATOM 1326 HB2 B ASP A 67 ? -31.12236 27.15858 6.54865 0.620 19.12983 H ? A ? 66 HB2 1
   ATOM 1327 HB3 B ASP A 67 ? -30.95926 28.53805 5.77672 0.620 19.12983 H ? A ? 66 HB3 1
   ATOM 1328 N . ALA A 68 ? -30.80711 25.86649 2.95259 1.000 11.44385 N ? A ? 67 N 1
   ATOM 1329 CA . ALA A 68 ? -29.83637 25.69579 1.89720 1.000 11.69910 C ? A ? 67 CA 1
   ATOM 1330 C . ALA A 68 ? -30.17365 26.53725 0.66815 1.000 12.93383 C ? A ? 67 C 1
   ATOM 1331 O . ALA A 68 ? -31.34800 26.56031 0.22204 1.000 15.11052 O ? A ? 67 O 1
   ATOM 1332 CB . ALA A 68 ? -29.78937 24.25772 1.51388 1.000 11.34483 C ? A ? 67 CB 1
   ATOM 1333 HA . ALA A 68 ? -28.96968 25.99024 2.21820 1.000 14.03986 H ? A ? 67 HA 1
   ATOM 1334 HB1 . ALA A 68 ? -29.18199 24.15013 0.76527 1.000 13.61474 H ? A ? 67 HB1 1
   ATOM 1335 HB2 . ALA A 68 ? -29.47596 23.73908 2.27131 1.000 13.61474 H ? A ? 67 HB2 1
   ATOM 1336 HB3 . ALA A 68 ? -30.68025 23.96897 1.26118 1.000 13.61474 H ? A ? 67 HB3 1
   ATOM 1337 H A ALA A 68 ? -31.33981 25.20016 3.06137 0.380 13.73356 H ? A ? 67 H 1
   ATOM 1338 H B ALA A 68 ? -31.34215 25.19993 3.04762 0.620 13.73356 H ? A ? 67 H 1
   ATOM 1339 N A ARG A 69 ? -29.22849 27.24141 0.13092 0.751 12.76501 N ? A ? 68 N 1
   ATOM 1340 CA A ARG A 69 ? -29.41641 27.98413 -1.10895 0.751 13.64974 C ? A ? 68 CA 1
   ATOM 1341 C A ARG A 69 ? -29.33654 27.04943 -2.27612 0.751 12.52709 C ? A ? 68 C 1
   ATOM 1342 O A ARG A 69 ? -28.57242 26.08644 -2.35125 0.751 13.34455 O ? A ? 68 O 1
   ATOM 1343 CB A ARG A 69 ? -28.39322 29.13576 -1.24037 0.751 15.16753 C ? A ? 68 CB 1
   ATOM 1344 CG A ARG A 69 ? -28.63879 30.26956 -0.33605 0.751 16.56351 C ? A ? 68 CG 1
   ATOM 1345 CD A ARG A 69 ? -27.59444 31.36534 -0.39480 0.751 14.93609 C ? A ? 68 CD 1
   ATOM 1346 NE A ARG A 69 ? -27.54310 31.97508 -1.72283 0.751 25.11989 N ? A ? 68 NE 1
   ATOM 1347 CZ A ARG A 69 ? -26.77899 33.01790 -2.05780 0.751 30.80365 C ? A ? 68 CZ 1
   ATOM 1348 NH1 A ARG A 69 ? -25.97552 33.60793 -1.17928 0.751 32.91415 N ? A ? 68 NH1 1
   ATOM 1349 NH2 A ARG A 69 ? -26.84220 33.50438 -3.29910 0.751 30.74285 N ? A ? 68 NH2 1
   ATOM 1350 H A ARG A 69 ? -28.43818 27.31942 0.46097 0.751 15.31895 H ? A ? 68 H 1
   ATOM 1351 HA A ARG A 69 ? -30.29211 28.40127 -1.11549 0.751 16.38063 H ? A ? 68 HA 1
   ATOM 1352 HB2 A ARG A 69 ? -27.50920 28.78864 -1.04308 0.751 18.20198 H ? A ? 68 HB2 1
   ATOM 1353 HB3 A ARG A 69 ? -28.42186 29.47328 -2.14930 0.751 18.20198 H ? A ? 68 HB3 1
   ATOM 1354 HG2 A ARG A 69 ? -29.49252 30.66861 -0.56587 0.751 19.87716 H ? A ? 68 HG2 1
   ATOM 1355 HG3 A ARG A 69 ? -28.66204 29.93827 0.57533 0.751 19.87716 H ? A ? 68 HG3 1
   ATOM 1356 HD2 A ARG A 69 ? -27.81422 32.05509 0.25083 0.751 17.92424 H ? A ? 68 HD2 1
   ATOM 1357 HD3 A ARG A 69 ? -26.72224 30.99041 -0.19578 0.751 17.92424 H ? A ? 68 HD3 1
   ATOM 1358 HE A ARG A 69 ? -28.04318 31.63627 -2.33499 0.751 30.14480 H ? A ? 68 HE 1
   ATOM 1359 HH11 A ARG A 69 ? -25.93768 33.31965 -0.36992 0.751 39.49791 H ? A ? 68 HH11 1
   ATOM 1360 HH12 A ARG A 69 ? -25.49332 34.27810 -1.42002 0.751 39.49791 H ? A ? 68 HH12 1
   ATOM 1361 HH21 A ARG A 69 ? -27.37152 33.14653 -3.87475 0.751 36.89236 H ? A ? 68 HH21 1
   ATOM 1362 HH22 A ARG A 69 ? -26.35362 34.17568 -3.52325 0.751 36.89236 H ? A ? 68 HH22 1
   ATOM 1363 N B ARG A 69 ? -29.18591 27.21267 0.12127 0.249 12.89473 N ? A ? 68 N 1
   ATOM 1364 CA B ARG A 69 ? -29.41942 27.98810 -1.08130 0.249 13.89669 C ? A ? 68 CA 1
   ATOM 1365 C B ARG A 69 ? -29.32968 27.08330 -2.29518 0.249 13.27779 C ? A ? 68 C 1
   ATOM 1366 O B ARG A 69 ? -28.55497 26.12614 -2.33087 0.249 13.56730 O ? A ? 68 O 1
   ATOM 1367 CB B ARG A 69 ? -28.40440 29.12624 -1.20683 0.249 15.29612 C ? A ? 68 CB 1
   ATOM 1368 CG B ARG A 69 ? -28.64627 30.26886 -0.26990 0.249 17.15742 C ? A ? 68 CG 1
   ATOM 1369 CD B ARG A 69 ? -27.75342 31.45710 -0.59531 0.249 22.30054 C ? A ? 68 CD 1
   ATOM 1370 NE B ARG A 69 ? -28.08634 32.61593 0.22353 0.249 21.70621 N ? A ? 68 NE 1
   ATOM 1371 CZ B ARG A 69 ? -27.71299 33.86405 -0.02931 0.249 34.11385 C ? A ? 68 CZ 1
   ATOM 1372 NH1 B ARG A 69 ? -26.86391 34.14837 -1.00018 0.249 31.02592 N ? A ? 68 NH1 1
   ATOM 1373 NH2 B ARG A 69 ? -28.18071 34.84996 0.73392 0.249 26.65495 N ? A ? 68 NH2 1
   ATOM 1374 H B ARG A 69 ? -28.38025 27.24005 0.42085 0.249 15.47462 H ? A ? 68 H 1
   ATOM 1375 HA B ARG A 69 ? -30.30218 28.38875 -1.04800 0.249 16.67696 H ? A ? 68 HA 1
   ATOM 1376 HB2 B ARG A 69 ? -27.51967 28.77489 -1.02054 0.249 18.35628 H ? A ? 68 HB2 1
   ATOM 1377 HB3 B ARG A 69 ? -28.43928 29.47471 -2.11140 0.249 18.35628 H ? A ? 68 HB3 1
   ATOM 1378 HG2 B ARG A 69 ? -29.57071 30.55353 -0.34255 0.249 20.58984 H ? A ? 68 HG2 1
   ATOM 1379 HG3 B ARG A 69 ? -28.45688 29.98516 0.63814 0.249 20.58984 H ? A ? 68 HG3 1
   ATOM 1380 HD2 B ARG A 69 ? -26.82837 31.21951 -0.42583 0.249 26.76159 H ? A ? 68 HD2 1
   ATOM 1381 HD3 B ARG A 69 ? -27.86832 31.69922 -1.52755 0.249 26.76159 H ? A ? 68 HD3 1
   ATOM 1382 HE B ARG A 69 ? -28.56268 32.48005 0.92655 0.249 26.04839 H ? A ? 68 HE 1
   ATOM 1383 HH11 B ARG A 69 ? -26.53927 33.51737 -1.48602 0.249 37.23204 H ? A ? 68 HH11 1
   ATOM 1384 HH12 B ARG A 69 ? -26.63567 34.96452 -1.14652 0.249 37.23204 H ? A ? 68 HH12 1
   ATOM 1385 HH21 B ARG A 69 ? -28.71821 34.67419 1.38183 0.249 31.98688 H ? A ? 68 HH21 1
   ATOM 1386 HH22 B ARG A 69 ? -27.94526 35.66245 0.57891 0.249 31.98688 H ? A ? 68 HH22 1
   ATOM 1387 N . PRO A 70 ? -30.08879 27.41541 -3.34111 1.000 14.03184 N ? A ? 69 N 1
   ATOM 1388 CA . PRO A 70 ? -30.08051 26.60542 -4.53534 1.000 13.38512 C ? A ? 69 CA 1
   ATOM 1389 C . PRO A 70 ? -28.71060 26.55853 -5.22391 1.000 13.73913 C ? A ? 69 C 1
   ATOM 1390 O . PRO A 70 ? -28.48145 25.59224 -5.89403 1.000 13.32754 O ? A ? 69 O 1
   ATOM 1391 CB . PRO A 70 ? -31.18271 27.26418 -5.44452 1.000 14.76511 C ? A ? 69 CB 1
   ATOM 1392 CG . PRO A 70 ? -31.54591 28.47547 -4.79536 1.000 21.27430 C ? A ? 69 CG 1
   ATOM 1393 CD . PRO A 70 ? -31.14664 28.47321 -3.38526 1.000 13.62827 C ? A ? 69 CD 1
   ATOM 1394 HA . PRO A 70 ? -30.36289 25.70081 -4.32836 1.000 16.06309 H ? A ? 69 HA 1
   ATOM 1395 HB2 . PRO A 70 ? -30.81688 27.44179 -6.32516 1.000 17.71907 H ? A ? 69 HB2 1
   ATOM 1396 HB3 . PRO A 70 ? -31.94581 26.66965 -5.51601 1.000 17.71907 H ? A ? 69 HB3 1
   ATOM 1397 HG2 . PRO A 70 ? -31.10595 29.20861 -5.25343 1.000 25.53009 H ? A ? 69 HG2 1
   ATOM 1398 HG3 . PRO A 70 ? -32.50874 28.57566 -4.85724 1.000 25.53009 H ? A ? 69 HG3 1
   ATOM 1399 HD2 . PRO A 70 ? -30.78624 29.33543 -3.12529 1.000 16.35486 H ? A ? 69 HD2 1
   ATOM 1400 HD3 . PRO A 70 ? -31.89453 28.24012 -2.81322 1.000 16.35486 H ? A ? 69 HD3 1
   ATOM 1401 N . GLU A 71 ? -27.88670 27.56639 -5.02363 1.000 14.41126 N ? A ? 70 N 1
   ATOM 1402 CA . GLU A 71 ? -26.57070 27.52347 -5.64095 1.000 19.05164 C ? A ? 70 CA 1
   ATOM 1403 C . GLU A 71 ? -25.74421 26.27711 -5.22257 1.000 14.68497 C ? A ? 70 C 1
   ATOM 1404 O . GLU A 71 ? -24.78057 25.97035 -5.92566 1.000 15.84896 O ? A ? 70 O 1
   ATOM 1405 CB . GLU A 71 ? -25.83650 28.83515 -5.34350 1.000 19.26280 C ? A ? 70 CB 1
   ATOM 1406 CG . GLU A 71 ? -26.43513 30.06789 -6.05169 1.000 24.92909 C ? A ? 70 CG 1
   ATOM 1407 CD . GLU A 71 ? -27.54822 30.80192 -5.30639 1.000 39.07169 C ? A ? 70 CD 1
   ATOM 1408 OE1 . GLU A 71 ? -28.20579 30.28441 -4.38276 1.000 21.95026 O ? A ? 70 OE1 1
   ATOM 1409 OE2 . GLU A 71 ? -27.83016 31.98996 -5.66102 1.000 27.25205 O ? A ? 70 OE2 1
   ATOM 1410 H . GLU A 71 ? -28.05516 28.26517 -4.55147 1.000 17.29445 H ? A ? 70 H 1
   ATOM 1411 HA . GLU A 71 ? -26.66321 27.45646 -6.60420 1.000 22.86290 H ? A ? 70 HA 1
   ATOM 1412 HB2 . GLU A 71 ? -25.86951 28.99948 -4.38809 1.000 23.11630 H ? A ? 70 HB2 1
   ATOM 1413 HB3 . GLU A 71 ? -24.91499 28.74758 -5.63342 1.000 23.11630 H ? A ? 70 HB3 1
   ATOM 1414 HG2 . GLU A 71 ? -25.72141 30.70787 -6.19975 1.000 29.91585 H ? A ? 70 HG2 1
   ATOM 1415 HG3 . GLU A 71 ? -26.80353 29.77931 -6.90135 1.000 29.91585 H ? A ? 70 HG3 1
   ATOM 1416 N . ILE A 72 ? -26.04117 25.59783 -4.08774 1.000 13.48888 N ? A ? 71 N 1
   ATOM 1417 CA . ILE A 72 ? -25.30423 24.38807 -3.75447 1.000 12.69197 C ? A ? 71 CA 1
   ATOM 1418 C . ILE A 72 ? -25.33305 23.40993 -4.88694 1.000 14.41374 C ? A ? 71 C 1
   ATOM 1419 O . ILE A 72 ? -24.37000 22.67682 -5.16557 1.000 14.61488 O ? A ? 71 O 1
   ATOM 1420 CB . ILE A 72 ? -25.98036 23.74967 -2.49965 1.000 11.13019 C ? A ? 71 CB 1
   ATOM 1421 CG1 . ILE A 72 ? -25.75646 24.68647 -1.30281 1.000 11.20205 C ? A ? 71 CG1 1
   ATOM 1422 CG2 . ILE A 72 ? -25.53553 22.35497 -2.22942 1.000 11.81265 C ? A ? 71 CG2 1
   ATOM 1423 CD1 . ILE A 72 ? -26.37998 24.25197 -0.01441 1.000 11.80312 C ? A ? 71 CD1 1
   ATOM 1424 H . ILE A 72 ? -26.64842 25.82146 -3.52131 1.000 16.18760 H ? A ? 71 H 1
   ATOM 1425 HA . ILE A 72 ? -24.37901 24.61614 -3.57321 1.000 15.23131 H ? A ? 71 HA 1
   ATOM 1426 HB . ILE A 72 ? -26.93096 23.66345 -2.67238 1.000 13.35716 H ? A ? 71 HB 1
   ATOM 1427 HG12 . ILE A 72 ? -24.80160 24.76171 -1.14953 1.000 13.44340 H ? A ? 71 HG12 1
   ATOM 1428 HG13 . ILE A 72 ? -26.12661 25.55560 -1.52304 1.000 13.44340 H ? A ? 71 HG13 1
   ATOM 1429 HG21 . ILE A 72 ? -25.79055 22.11166 -1.32572 1.000 14.17612 H ? A ? 71 HG21 1
   ATOM 1430 HG22 . ILE A 72 ? -25.96146 21.75887 -2.86515 1.000 14.17612 H ? A ? 71 HG22 1
   ATOM 1431 HG23 . ILE A 72 ? -24.57150 22.30677 -2.32540 1.000 14.17612 H ? A ? 71 HG23 1
   ATOM 1432 HD11 . ILE A 72 ? -26.51846 25.03028 0.54770 1.000 14.16469 H ? A ? 71 HD11 1
   ATOM 1433 HD12 . ILE A 72 ? -27.23015 23.82484 -0.20325 1.000 14.16469 H ? A ? 71 HD12 1
   ATOM 1434 HD13 . ILE A 72 ? -25.78624 23.62560 0.42835 1.000 14.16469 H ? A ? 71 HD13 1
   ATOM 1435 N . TRP A 73 ? -26.45152 23.42977 -5.65255 1.000 14.28576 N ? A ? 72 N 1
   ATOM 1436 CA . TRP A 73 ? -26.65110 22.46399 -6.71841 1.000 14.58169 C ? A ? 72 CA 1
   ATOM 1437 C . TRP A 73 ? -26.51501 22.98167 -8.15075 1.000 15.71393 C ? A ? 72 C 1
   ATOM 1438 O . TRP A 73 ? -26.27117 22.15193 -9.03446 1.000 24.81759 O ? A ? 72 O 1
   ATOM 1439 CB . TRP A 73 ? -28.06606 21.82893 -6.62609 1.000 15.33920 C ? A ? 72 CB 1
   ATOM 1440 CG . TRP A 73 ? -28.30239 21.08880 -5.35867 1.000 14.69326 C ? A ? 72 CG 1
   ATOM 1441 CD1 . TRP A 73 ? -27.86833 19.86517 -5.13950 1.000 14.99912 C ? A ? 72 CD1 1
   ATOM 1442 CD2 . TRP A 73 ? -28.89620 21.55387 -4.09996 1.000 12.91048 C ? A ? 72 CD2 1
   ATOM 1443 NE1 . TRP A 73 ? -28.18929 19.47286 -3.81625 1.000 16.69868 N ? A ? 72 NE1 1
   ATOM 1444 CE2 . TRP A 73 ? -28.82027 20.49821 -3.17431 1.000 14.15109 C ? A ? 72 CE2 1
   ATOM 1445 CE3 . TRP A 73 ? -29.47480 22.71620 -3.69687 1.000 13.84196 C ? A ? 72 CE3 1
   ATOM 1446 CZ2 . TRP A 73 ? -29.31215 20.58553 -1.84001 1.000 12.49109 C ? A ? 72 CZ2 1
   ATOM 1447 CZ3 . TRP A 73 ? -29.91458 22.80153 -2.35167 1.000 13.38079 C ? A ? 72 CZ3 1
   ATOM 1448 CH2 . TRP A 73 ? -29.82085 21.76039 -1.48343 1.000 12.78829 C ? A ? 72 CH2 1
   ATOM 1449 H . TRP A 73 ? -27.09352 23.99468 -5.56137 1.000 17.14385 H ? A ? 72 H 1
   ATOM 1450 HA . TRP A 73 ? -25.96499 21.79153 -6.58447 1.000 17.49897 H ? A ? 72 HA 1
   ATOM 1451 HB2 . TRP A 73 ? -28.72987 22.53361 -6.68675 1.000 18.40797 H ? A ? 72 HB2 1
   ATOM 1452 HB3 . TRP A 73 ? -28.17721 21.20439 -7.35992 1.000 18.40797 H ? A ? 72 HB3 1
   ATOM 1453 HD1 . TRP A 73 ? -27.41879 19.33781 -5.75975 1.000 17.99988 H ? A ? 72 HD1 1
   ATOM 1454 HE1 . TRP A 73 ? -28.01320 18.70538 -3.47046 1.000 20.03935 H ? A ? 72 HE1 1
   ATOM 1455 HE3 . TRP A 73 ? -29.57854 23.43060 -4.28318 1.000 16.61129 H ? A ? 72 HE3 1
   ATOM 1456 HZ2 . TRP A 73 ? -29.27925 19.86408 -1.25407 1.000 14.99024 H ? A ? 72 HZ2 1
   ATOM 1457 HZ3 . TRP A 73 ? -30.28168 23.60162 -2.05168 1.000 16.05788 H ? A ? 72 HZ3 1
   ATOM 1458 HH2 . TRP A 73 ? -30.12258 21.87371 -0.61107 1.000 15.34689 H ? A ? 72 HH2 1
   ATOM 1459 N . SER A 74 ? -26.50801 24.20583 -8.34762 1.000 16.74339 N ? A ? 73 N 1
   ATOM 1460 CA . SER A 74 ? -26.27879 24.74675 -9.67770 1.000 19.05943 C ? A ? 73 CA 1
   ATOM 1461 C . SER A 74 ? -24.81111 24.89721 -9.90831 1.000 25.89026 C ? A ? 73 C 1
   ATOM 1462 O . SER A 74 ? -24.36844 24.81118 -11.06387 1.000 28.37136 O ? A ? 73 O 1
   ATOM 1463 CB . SER A 74 ? -27.04533 26.05342 -9.77808 1.000 20.29243 C ? A ? 73 CB 1
   ATOM 1464 OG . SER A 74 ? -26.62217 27.07958 -8.99426 1.000 22.49506 O ? A ? 73 OG 1
   ATOM 1465 H . SER A 74 ? -26.63283 24.79966 -7.73821 1.000 20.09301 H ? A ? 73 H 1
   ATOM 1466 HA . SER A 74 ? -26.61477 24.18723 -10.39530 1.000 22.87225 H ? A ? 73 HA 1
   ATOM 1467 HB2 . SER A 74 ? -26.99276 26.35104 -10.69980 1.000 24.35186 H ? A ? 73 HB2 1
   ATOM 1468 HB3 . SER A 74 ? -27.96758 25.86817 -9.54136 1.000 24.35186 H ? A ? 73 HB3 1
   ATOM 1469 HG . SER A 74 ? -27.04331 27.78051 -9.18648 1.000 26.99500 H ? A ? 73 HG 1
   ATOM 1470 N . ASP A 75 ? -24.02186 24.99184 -8.79971 1.000 24.63184 N ? A ? 74 N 1
   ATOM 1471 CA . ASP A 75 ? -22.57762 24.96240 -8.91386 1.000 41.50886 C ? A ? 74 CA 1
   ATOM 1472 C . ASP A 75 ? -22.01251 23.95374 -7.92985 1.000 19.50079 C ? A ? 74 C 1
   ATOM 1473 O . ASP A 75 ? -21.34040 24.29074 -6.94701 1.000 23.89479 O ? A ? 74 O 1
   ATOM 1474 CB . ASP A 75 ? -21.99867 26.30210 -8.81660 1.000 53.49291 C ? A ? 74 CB 1
   ATOM 1475 CG . ASP A 75 ? -22.55595 27.13065 -7.67743 1.000 48.97837 C ? A ? 74 CG 1
   ATOM 1476 OD1 . ASP A 75 ? -22.35974 26.71983 -6.50275 1.000 62.05935 O ? A ? 74 OD1 1
   ATOM 1477 OD2 . ASP A 75 ? -23.08849 28.23848 -7.98730 1.000 57.76354 O ? A ? 74 OD2 1
   ATOM 1478 H . ASP A 75 ? -24.31775 25.07164 -7.99617 1.000 29.55914 H ? A ? 74 H 1
   ATOM 1479 HA . ASP A 75 ? -22.34580 24.62327 -9.79258 1.000 49.81158 H ? A ? 74 HA 1
   ATOM 1480 HB2 . ASP A 75 ? -21.04188 26.21899 -8.68039 1.000 64.19243 H ? A ? 74 HB2 1
   ATOM 1481 HB3 . ASP A 75 ? -22.17602 26.77895 -9.64248 1.000 64.19243 H ? A ? 74 HB3 1
   ATOM 1482 N . ALA A 76 ? -22.14995 22.70577 -8.29434 1.000 27.43650 N ? A ? 75 N 1
   ATOM 1483 CA . ALA A 76 ? -21.72331 21.65928 -7.39282 1.000 30.53611 C ? A ? 75 CA 1
   ATOM 1484 C . ALA A 76 ? -20.20779 21.64988 -7.19557 1.000 40.98923 C ? A ? 75 C 1
   ATOM 1485 O . ALA A 76 ? -19.74009 21.28638 -6.10433 1.000 18.65751 O ? A ? 75 O 1
   ATOM 1486 CB . ALA A 76 ? -22.22170 20.33195 -7.92102 1.000 26.85464 C ? A ? 75 CB 1
   ATOM 1487 H . ALA A 76 ? -22.47988 22.43749 -9.04184 1.000 32.92474 H ? A ? 75 H 1
   ATOM 1488 HA . ALA A 76 ? -22.11099 21.80435 -6.51557 1.000 36.64427 H ? A ? 75 HA 1
   ATOM 1489 HB1 . ALA A 76 ? -21.95254 19.62793 -7.31044 1.000 32.22650 H ? A ? 75 HB1 1
   ATOM 1490 HB2 . ALA A 76 ? -23.18905 20.36120 -7.98636 1.000 32.22650 H ? A ? 75 HB2 1
   ATOM 1491 HB3 . ALA A 76 ? -21.83557 20.17559 -8.79701 1.000 32.22650 H ? A ? 75 HB3 1
   ATOM 1492 N . ALA A 77 ? -19.40805 22.02806 -8.21165 1.000 22.47087 N ? A ? 76 N 1
   ATOM 1493 CA . ALA A 77 ? -17.97165 21.89632 -7.99347 1.000 18.94407 C ? A ? 76 CA 1
   ATOM 1494 C . ALA A 77 ? -17.51171 22.90813 -6.99942 1.000 19.13630 C ? A ? 76 C 1
   ATOM 1495 O . ALA A 77 ? -16.60131 22.62666 -6.19529 1.000 17.62373 O ? A ? 76 O 1
   ATOM 1496 CB . ALA A 77 ? -17.25753 22.12905 -9.34403 1.000 34.07996 C ? A ? 76 CB 1
   ATOM 1497 H . ALA A 77 ? -19.66000 22.33824 -8.97317 1.000 26.96598 H ? A ? 76 H 1
   ATOM 1498 HA . ALA A 77 ? -17.75636 21.01090 -7.66095 1.000 22.73383 H ? A ? 76 HA 1
   ATOM 1499 HB1 . ALA A 77 ? -16.29844 22.08491 -9.20586 1.000 40.89689 H ? A ? 76 HB1 1
   ATOM 1500 HB2 . ALA A 77 ? -17.53357 21.44126 -9.96986 1.000 40.89689 H ? A ? 76 HB2 1
   ATOM 1501 HB3 . ALA A 77 ? -17.50279 23.00365 -9.68436 1.000 40.89689 H ? A ? 76 HB3 1
   ATOM 1502 N . SER A 78 ? -18.06234 24.08571 -7.04299 1.000 17.35605 N ? A ? 77 N 1
   ATOM 1503 CA . SER A 78 ? -17.65588 25.10805 -6.13793 1.000 17.43674 C ? A ? 77 CA 1
   ATOM 1504 C . SER A 78 ? -18.09151 24.73374 -4.72107 1.000 19.28418 C ? A ? 77 C 1
   ATOM 1505 O . SER A 78 ? -17.38214 25.03820 -3.76037 1.000 16.19947 O ? A ? 77 O 1
   ATOM 1506 CB . SER A 78 ? -18.34435 26.40576 -6.42842 1.000 18.41039 C ? A ? 77 CB 1
   ATOM 1507 OG . SER A 78 ? -17.85425 26.94782 -7.68671 1.000 37.64066 O ? A ? 77 OG 1
   ATOM 1508 H . SER A 78 ? -18.68016 24.32020 -7.59337 1.000 20.82820 H ? A ? 77 H 1
   ATOM 1509 HA . SER A 78 ? -16.69585 25.21128 -6.23053 1.000 20.92503 H ? A ? 77 HA 1
   ATOM 1510 HB2 . SER A 78 ? -19.30003 26.25377 -6.49533 1.000 22.09340 H ? A ? 77 HB2 1
   ATOM 1511 HB3 . SER A 78 ? -18.15767 27.03472 -5.71396 1.000 22.09340 H ? A ? 77 HB3 1
   ATOM 1512 HG . SER A 78 ? -18.06041 27.75971 -7.74949 1.000 45.16973 H ? A ? 77 HG 1
   ATOM 1513 N . PHE A 79 ? -19.31323 24.16314 -4.55479 1.000 16.44909 N ? A ? 78 N 1
   ATOM 1514 CA . PHE A 79 ? -19.72795 23.72593 -3.21194 1.000 14.35387 C ? A ? 78 CA 1
   ATOM 1515 C . PHE A 79 ? -18.78509 22.65353 -2.71044 1.000 13.34257 C ? A ? 78 C 1
   ATOM 1516 O . PHE A 79 ? -18.39716 22.66297 -1.51045 1.000 13.79467 O ? A ? 78 O 1
   ATOM 1517 CB . PHE A 79 ? -21.19257 23.22392 -3.22677 1.000 13.53410 C ? A ? 78 CB 1
   ATOM 1518 CG . PHE A 79 ? -21.73132 22.86916 -1.85437 1.000 11.73603 C ? A ? 78 CG 1
   ATOM 1519 CD1 . PHE A 79 ? -22.03824 23.82713 -1.01251 1.000 11.11830 C ? A ? 78 CD1 1
   ATOM 1520 CD2 . PHE A 79 ? -21.83078 21.59180 -1.48417 1.000 12.25928 C ? A ? 78 CD2 1
   ATOM 1521 CE1 . PHE A 79 ? -22.51192 23.53369 0.30335 1.000 12.37030 C ? A ? 78 CE1 1
   ATOM 1522 CE2 . PHE A 79 ? -22.32878 21.26172 -0.17756 1.000 13.78534 C ? A ? 78 CE2 1
   ATOM 1523 CZ . PHE A 79 ? -22.63576 22.27576 0.66476 1.000 12.19914 C ? A ? 78 CZ 1
   ATOM 1524 H . PHE A 79 ? -19.88870 24.02741 -5.17930 1.000 19.73985 H ? A ? 78 H 1
   ATOM 1525 HA . PHE A 79 ? -19.69996 24.47874 -2.60088 1.000 17.22558 H ? A ? 78 HA 1
   ATOM 1526 HB2 . PHE A 79 ? -21.75741 23.92108 -3.59530 1.000 16.24186 H ? A ? 78 HB2 1
   ATOM 1527 HB3 . PHE A 79 ? -21.24394 22.42850 -3.77956 1.000 16.24186 H ? A ? 78 HB3 1
   ATOM 1528 HD1 . PHE A 79 ? -21.94582 24.71393 -1.27699 1.000 13.34290 H ? A ? 78 HD1 1
   ATOM 1529 HD2 . PHE A 79 ? -21.57819 20.91582 -2.07082 1.000 14.71207 H ? A ? 78 HD2 1
   ATOM 1530 HE1 . PHE A 79 ? -22.72849 24.21957 0.89289 1.000 14.84530 H ? A ? 78 HE1 1
   ATOM 1531 HE2 . PHE A 79 ? -22.43727 20.37540 0.08239 1.000 16.54335 H ? A ? 78 HE2 1
   ATOM 1532 HZ . PHE A 79 ? -22.94186 22.07775 1.52032 1.000 14.63990 H ? A ? 78 HZ 1
   ATOM 1533 N . LYS A 80 ? -18.47725 21.67744 -3.52662 1.000 16.22167 N ? A ? 79 N 1
   ATOM 1534 CA . LYS A 80 ? -17.52410 20.63940 -3.14507 1.000 15.84760 C ? A ? 79 CA 1
   ATOM 1535 C . LYS A 80 ? -16.18795 21.20985 -2.71160 1.000 16.59088 C ? A ? 79 C 1
   ATOM 1536 O . LYS A 80 ? -15.61678 20.75634 -1.71435 1.000 14.41849 O ? A ? 79 O 1
   ATOM 1537 CB . LYS A 80 ? -17.35122 19.63102 -4.27356 1.000 19.16002 C ? A ? 79 CB 1
   ATOM 1538 CG . LYS A 80 ? -16.55711 18.42195 -3.82938 1.000 17.78552 C ? A ? 79 CG 1
   ATOM 1539 CD . LYS A 80 ? -16.50619 17.35681 -4.96214 1.000 28.98215 C ? A ? 79 CD 1
   ATOM 1540 CE . LYS A 80 ? -15.76313 16.09842 -4.55250 1.000 48.69043 C ? A ? 79 CE 1
   ATOM 1541 NZ . LYS A 80 ? -15.73082 15.06410 -5.63980 1.000 60.99799 N ? A ? 79 NZ 1
   ATOM 1542 H . LYS A 80 ? -18.80241 21.58120 -4.31695 1.000 19.46694 H ? A ? 79 H 1
   ATOM 1543 HA . LYS A 80 ? -17.89032 20.16740 -2.38087 1.000 19.01805 H ? A ? 79 HA 1
   ATOM 1544 HB2 . LYS A 80 ? -18.22454 19.32986 -4.56938 1.000 22.99296 H ? A ? 79 HB2 1
   ATOM 1545 HB3 . LYS A 80 ? -16.87897 20.05223 -5.00873 1.000 22.99296 H ? A ? 79 HB3 1
   ATOM 1546 HG2 . LYS A 80 ? -15.64953 18.68965 -3.61596 1.000 21.34357 H ? A ? 79 HG2 1
   ATOM 1547 HG3 . LYS A 80 ? -16.97772 18.02498 -3.05066 1.000 21.34357 H ? A ? 79 HG3 1
   ATOM 1548 HD2 . LYS A 80 ? -17.41207 17.10530 -5.20093 1.000 34.77952 H ? A ? 79 HD2 1
   ATOM 1549 HD3 . LYS A 80 ? -16.05302 17.73495 -5.73191 1.000 34.77952 H ? A ? 79 HD3 1
   ATOM 1550 HE2 . LYS A 80 ? -14.84742 16.32954 -4.33122 1.000 58.42946 H ? A ? 79 HE2 1
   ATOM 1551 HE3 . LYS A 80 ? -16.20265 15.70850 -3.78070 1.000 58.42946 H ? A ? 79 HE3 1
   ATOM 1552 HZ1 . LYS A 80 ? -15.30120 14.33796 -5.35651 1.000 73.19852 H ? A ? 79 HZ1 1
   ATOM 1553 HZ2 . LYS A 80 ? -16.56038 14.83774 -5.86935 1.000 73.19852 H ? A ? 79 HZ2 1
   ATOM 1554 HZ3 . LYS A 80 ? -15.31123 15.38732 -6.35504 1.000 73.19852 H ? A ? 79 HZ3 1
   ATOM 1555 N . GLN A 81 ? -15.65650 22.17169 -3.44167 1.000 14.57042 N ? A ? 80 N 1
   ATOM 1556 CA . GLN A 81 ? -14.39364 22.75996 -3.03164 1.000 13.39266 C ? A ? 80 CA 1
   ATOM 1557 C . GLN A 81 ? -14.54074 23.32196 -1.67647 1.000 14.78504 C ? A ? 80 C 1
   ATOM 1558 O . GLN A 81 ? -13.63276 23.14751 -0.85549 1.000 14.22714 O ? A ? 80 O 1
   ATOM 1559 CB . GLN A 81 ? -13.99015 23.84619 -4.00781 1.000 18.34583 C ? A ? 80 CB 1
   ATOM 1560 CG . GLN A 81 ? -13.36225 23.24020 -5.26647 1.000 59.61837 C ? A ? 80 CG 1
   ATOM 1561 CD . GLN A 81 ? -11.91743 22.65313 -5.04731 1.000 73.09594 C ? A ? 80 CD 1
   ATOM 1562 OE1 . GLN A 81 ? -11.00850 23.24764 -4.37328 1.000 29.78455 O ? A ? 80 OE1 1
   ATOM 1563 NE2 . GLN A 81 ? -11.68933 21.50059 -5.68937 1.000 57.52080 N ? A ? 80 NE2 1
   ATOM 1564 H . GLN A 81 ? -15.99638 22.49606 -4.16199 1.000 17.48544 H ? A ? 80 H 1
   ATOM 1565 HA . GLN A 81 ? -13.69443 22.08764 -3.03239 1.000 16.07212 H ? A ? 80 HA 1
   ATOM 1566 HB2 . GLN A 81 ? -14.77432 24.35436 -4.26810 1.000 22.01593 H ? A ? 80 HB2 1
   ATOM 1567 HB3 . GLN A 81 ? -13.33947 24.43134 -3.58936 1.000 22.01593 H ? A ? 80 HB3 1
   ATOM 1568 HG2 . GLN A 81 ? -13.92880 22.51767 -5.57930 1.000 71.54298 H ? A ? 80 HG2 1
   ATOM 1569 HG3 . GLN A 81 ? -13.29933 23.93018 -5.94534 1.000 71.54298 H ? A ? 80 HG3 1
   ATOM 1570 HE21 . GLN A 81 ? -12.30828 21.14633 -6.17000 1.000 69.02590 H ? A ? 80 HE21 1
   ATOM 1571 HE22 . GLN A 81 ? -10.92388 21.11455 -5.62115 1.000 69.02590 H ? A ? 80 HE22 1
   ATOM 1572 N A LYS A 82 ? -15.68168 23.96022 -1.41735 0.430 14.23121 N ? A ? 81 N 1
   ATOM 1573 CA A LYS A 82 ? -15.92732 24.49650 -0.09861 0.430 16.10225 C ? A ? 81 CA 1
   ATOM 1574 C A LYS A 82 ? -15.87895 23.41115 0.97064 0.430 9.64880 C ? A ? 81 C 1
   ATOM 1575 O A LYS A 82 ? -15.15307 23.57376 1.94620 0.430 10.01732 O ? A ? 81 O 1
   ATOM 1576 CB A LYS A 82 ? -17.31099 25.13145 -0.11679 0.430 23.99910 C ? A ? 81 CB 1
   ATOM 1577 CG A LYS A 82 ? -17.46616 26.49006 0.47850 0.430 33.46301 C ? A ? 81 CG 1
   ATOM 1578 CD A LYS A 82 ? -16.97380 27.48173 -0.52273 0.430 25.72430 C ? A ? 81 CD 1
   ATOM 1579 CE A LYS A 82 ? -17.20170 28.89219 -0.05137 0.430 25.74033 C ? A ? 81 CE 1
   ATOM 1580 NZ A LYS A 82 ? -16.56331 29.92034 -0.98656 0.430 17.90775 N ? A ? 81 NZ 1
   ATOM 1581 H A LYS A 82 ? -16.31517 24.09012 -1.98428 0.430 17.07839 H ? A ? 81 H 1
   ATOM 1582 HA A LYS A 82 ? -15.24757 25.15307 0.11990 0.430 19.32363 H ? A ? 81 HA 1
   ATOM 1583 HB2 A LYS A 82 ? -17.59207 25.20013 -1.04263 0.430 28.79986 H ? A ? 81 HB2 1
   ATOM 1584 HB3 A LYS A 82 ? -17.91129 24.54491 0.36954 0.430 28.79986 H ? A ? 81 HB3 1
   ATOM 1585 HG2 A LYS A 82 ? -18.39988 26.66690 0.67291 0.430 40.15655 H ? A ? 81 HG2 1
   ATOM 1586 HG3 A LYS A 82 ? -16.93875 26.56373 1.28925 0.430 40.15655 H ? A ? 81 HG3 1
   ATOM 1587 HD2 A LYS A 82 ? -16.02197 27.35527 -0.66028 0.430 30.87010 H ? A ? 81 HD2 1
   ATOM 1588 HD3 A LYS A 82 ? -17.44918 27.35823 -1.35919 0.430 30.87010 H ? A ? 81 HD3 1
   ATOM 1589 HE2 A LYS A 82 ? -18.15525 29.06646 -0.01563 0.430 30.88933 H ? A ? 81 HE2 1
   ATOM 1590 HE3 A LYS A 82 ? -16.81129 29.00105 0.82989 0.430 30.88933 H ? A ? 81 HE3 1
   ATOM 1591 HZ1 A LYS A 82 ? -16.73533 30.74392 -0.69637 0.430 21.49023 H ? A ? 81 HZ1 1
   ATOM 1592 HZ2 A LYS A 82 ? -15.68165 29.80168 -1.01300 0.430 21.49023 H ? A ? 81 HZ2 1
   ATOM 1593 HZ3 A LYS A 82 ? -16.89178 29.82930 -1.80871 0.430 21.49023 H ? A ? 81 HZ3 1
   ATOM 1594 N B LYS A 82 ? -15.66160 24.02383 -1.36829 0.570 14.44237 N ? A ? 81 N 1
   ATOM 1595 CA B LYS A 82 ? -15.73894 24.69939 -0.06761 0.570 14.46610 C ? A ? 81 CA 1
   ATOM 1596 C B LYS A 82 ? -15.82460 23.72543 1.11071 0.570 12.44345 C ? A ? 81 C 1
   ATOM 1597 O B LYS A 82 ? -15.34831 24.02758 2.22709 0.570 13.21625 O ? A ? 81 O 1
   ATOM 1598 CB B LYS A 82 ? -17.04253 25.46936 -0.00468 0.570 11.80184 C ? A ? 81 CB 1
   ATOM 1599 CG B LYS A 82 ? -17.22947 26.80525 0.36097 0.570 37.45602 C ? A ? 81 CG 1
   ATOM 1600 CD B LYS A 82 ? -16.93146 27.66755 -0.77335 0.570 31.04164 C ? A ? 81 CD 1
   ATOM 1601 CE B LYS A 82 ? -17.14579 29.13916 -0.39503 0.570 31.05950 C ? A ? 81 CE 1
   ATOM 1602 NZ B LYS A 82 ? -16.57502 30.01442 -1.46479 0.570 14.51277 N ? A ? 81 NZ 1
   ATOM 1603 H B LYS A 82 ? -16.35062 24.11406 -1.87496 0.570 17.33178 H ? A ? 81 H 1
   ATOM 1604 HA B LYS A 82 ? -14.94681 25.25451 0.00502 0.570 17.36026 H ? A ? 81 HA 1
   ATOM 1605 HB2 B LYS A 82 ? -17.41428 25.41739 -0.89911 0.570 14.16314 H ? A ? 81 HB2 1
   ATOM 1606 HB3 B LYS A 82 ? -17.60158 24.97644 0.61611 0.570 14.16314 H ? A ? 81 HB3 1
   ATOM 1607 HG2 B LYS A 82 ? -18.15112 26.94694 0.62815 0.570 44.94816 H ? A ? 81 HG2 1
   ATOM 1608 HG3 B LYS A 82 ? -16.63351 27.03240 1.09182 0.570 44.94816 H ? A ? 81 HG3 1
   ATOM 1609 HD2 B LYS A 82 ? -16.00643 27.54768 -1.03951 0.570 37.25091 H ? A ? 81 HD2 1
   ATOM 1610 HD3 B LYS A 82 ? -17.52036 27.44878 -1.51243 0.570 37.25091 H ? A ? 81 HD3 1
   ATOM 1611 HE2 B LYS A 82 ? -18.09460 29.32293 -0.31203 0.570 37.27234 H ? A ? 81 HE2 1
   ATOM 1612 HE3 B LYS A 82 ? -16.69589 29.33272 0.44225 0.570 37.27234 H ? A ? 81 HE3 1
   ATOM 1613 HZ1 B LYS A 82 ? -16.72018 30.87009 -1.26766 0.570 17.41626 H ? A ? 81 HZ1 1
   ATOM 1614 HZ2 B LYS A 82 ? -15.69814 29.87861 -1.53356 0.570 17.41626 H ? A ? 81 HZ2 1
   ATOM 1615 HZ3 B LYS A 82 ? -16.95819 29.82906 -2.24640 0.570 17.41626 H ? A ? 81 HZ3 1
   ATOM 1616 N A GLN A 83 ? -16.60538 22.29565 0.79192 0.430 8.88689 N ? A ? 82 N 1
   ATOM 1617 CA A GLN A 83 ? -16.67164 21.37255 1.91832 0.430 11.44552 C ? A ? 82 CA 1
   ATOM 1618 C A GLN A 83 ? -15.36684 20.61470 2.05602 0.430 8.43653 C ? A ? 82 C 1
   ATOM 1619 O A GLN A 83 ? -14.91256 20.32448 3.16381 0.430 7.81497 O ? A ? 82 O 1
   ATOM 1620 CB A GLN A 83 ? -17.87180 20.40360 1.86676 0.430 11.99971 C ? A ? 82 CB 1
   ATOM 1621 CG A GLN A 83 ? -17.97378 19.48463 0.66804 0.430 11.69008 C ? A ? 82 CG 1
   ATOM 1622 CD A GLN A 83 ? -17.37201 18.16188 0.93552 0.430 12.50701 C ? A ? 82 CD 1
   ATOM 1623 OE1 A GLN A 83 ? -16.43410 18.04832 1.74538 0.430 11.15567 O ? A ? 82 OE1 1
   ATOM 1624 NE2 A GLN A 83 ? -17.85985 17.12925 0.23387 0.430 15.86332 N ? A ? 82 NE2 1
   ATOM 1625 H A GLN A 83 ? -17.03405 22.07302 0.08039 0.430 10.66521 H ? A ? 82 H 1
   ATOM 1626 HA A GLN A 83 ? -16.82700 21.90866 2.71164 0.430 13.73556 H ? A ? 82 HA 1
   ATOM 1627 HB2 A GLN A 83 ? -17.83022 19.83624 2.65243 0.430 14.40059 H ? A ? 82 HB2 1
   ATOM 1628 HB3 A GLN A 83 ? -18.68363 20.93421 1.88330 0.430 14.40059 H ? A ? 82 HB3 1
   ATOM 1629 HG2 A GLN A 83 ? -18.90856 19.35340 0.44470 0.430 14.02903 H ? A ? 82 HG2 1
   ATOM 1630 HG3 A GLN A 83 ? -17.50651 19.88475 -0.08193 0.430 14.02903 H ? A ? 82 HG3 1
   ATOM 1631 HE21 A GLN A 83 ? -18.49069 17.25672 -0.33655 0.430 19.03692 H ? A ? 82 HE21 1
   ATOM 1632 HE22 A GLN A 83 ? -17.54200 16.33924 0.35412 0.430 19.03692 H ? A ? 82 HE22 1
   ATOM 1633 N B GLN A 83 ? -16.56566 22.63546 0.90942 0.570 12.26958 N ? A ? 82 N 1
   ATOM 1634 CA B GLN A 83 ? -16.65529 21.64939 1.97643 0.570 9.95157 C ? A ? 82 CA 1
   ATOM 1635 C B GLN A 83 ? -15.31125 21.00590 2.16287 0.570 12.99048 C ? A ? 82 C 1
   ATOM 1636 O B GLN A 83 ? -14.91370 20.73595 3.29143 0.570 11.85002 O ? A ? 82 O 1
   ATOM 1637 CB B GLN A 83 ? -17.75859 20.53104 1.84449 0.570 13.00413 C ? A ? 82 CB 1
   ATOM 1638 CG B GLN A 83 ? -17.91681 19.71195 0.59413 0.570 16.12639 C ? A ? 82 CG 1
   ATOM 1639 CD B GLN A 83 ? -17.36661 18.33184 0.69561 0.570 14.04785 C ? A ? 82 CD 1
   ATOM 1640 OE1 B GLN A 83 ? -16.53184 17.99914 1.55484 0.570 16.98070 O ? A ? 82 OE1 1
   ATOM 1641 NE2 B GLN A 83 ? -17.72901 17.51836 -0.29054 0.570 16.26677 N ? A ? 82 NE2 1
   ATOM 1642 H B GLN A 83 ? -17.00656 22.45330 0.19386 0.570 14.72443 H ? A ? 82 H 1
   ATOM 1643 HA B GLN A 83 ? -16.95727 22.14502 2.75363 0.570 11.94282 H ? A ? 82 HA 1
   ATOM 1644 HB2 B GLN A 83 ? -17.59459 19.89164 2.55525 0.570 15.60590 H ? A ? 82 HB2 1
   ATOM 1645 HB3 B GLN A 83 ? -18.61486 20.96598 1.98058 0.570 15.60590 H ? A ? 82 HB3 1
   ATOM 1646 HG2 B GLN A 83 ? -18.86197 19.63723 0.38924 0.570 19.35261 H ? A ? 82 HG2 1
   ATOM 1647 HG3 B GLN A 83 ? -17.45448 20.16007 -0.13137 0.570 19.35261 H ? A ? 82 HG3 1
   ATOM 1648 HE21 B GLN A 83 ? -18.24181 17.80553 -0.91837 0.570 19.52106 H ? A ? 82 HE21 1
   ATOM 1649 HE22 B GLN A 83 ? -17.45075 16.70469 -0.30098 0.570 19.52106 H ? A ? 82 HE22 1
   ATOM 1650 N A GLN A 84 ? -14.72107 20.29860 0.93877 0.430 8.52623 N ? A ? 83 N 1
   ATOM 1651 CA A GLN A 84 ? -13.43448 19.61457 0.98722 0.430 7.21445 C ? A ? 83 CA 1
   ATOM 1652 C A GLN A 84 ? -12.39252 20.52288 1.58777 0.430 7.34753 C ? A ? 83 C 1
   ATOM 1653 O A GLN A 84 ? -11.54634 20.08465 2.37278 0.430 8.30097 O ? A ? 83 O 1
   ATOM 1654 CB A GLN A 84 ? -13.05620 19.06543 -0.38337 0.430 10.61204 C ? A ? 83 CB 1
   ATOM 1655 CG A GLN A 84 ? -14.02841 18.02554 -0.87387 0.430 18.85512 C ? A ? 83 CG 1
   ATOM 1656 CD A GLN A 84 ? -13.48908 17.26271 -2.03986 0.430 31.08913 C ? A ? 83 CD 1
   ATOM 1657 OE1 A GLN A 84 ? -13.80490 16.09088 -2.21404 0.430 39.81527 O ? A ? 83 OE1 1
   ATOM 1658 NE2 A GLN A 84 ? -12.67651 17.90924 -2.84584 0.430 28.30634 N ? A ? 83 NE2 1
   ATOM 1659 H A GLN A 84 ? -15.00354 20.46749 0.14423 0.430 10.23242 H ? A ? 83 H 1
   ATOM 1660 HA A GLN A 84 ? -13.49056 18.83085 1.55602 0.430 8.65828 H ? A ? 83 HA 1
   ATOM 1661 HB2 A GLN A 84 ? -13.04424 19.79349 -1.02421 0.430 12.73538 H ? A ? 83 HB2 1
   ATOM 1662 HB3 A GLN A 84 ? -12.17834 18.65632 -0.32961 0.430 12.73538 H ? A ? 83 HB3 1
   ATOM 1663 HG2 A GLN A 84 ? -14.21119 17.39670 -0.15829 0.430 22.62708 H ? A ? 83 HG2 1
   ATOM 1664 HG3 A GLN A 84 ? -14.84966 18.46151 -1.15024 0.430 22.62708 H ? A ? 83 HG3 1
   ATOM 1665 HE21 A GLN A 84 ? -12.47951 18.73153 -2.68891 0.430 33.96854 H ? A ? 83 HE21 1
   ATOM 1666 HE22 A GLN A 84 ? -12.34190 17.50995 -3.53009 0.430 33.96854 H ? A ? 83 HE22 1
   ATOM 1667 N B GLN A 84 ? -14.53925 20.81800 1.05846 0.570 10.59174 N ? A ? 83 N 1
   ATOM 1668 CA B GLN A 84 ? -13.21632 20.14928 1.14656 0.570 12.07025 C ? A ? 83 CA 1
   ATOM 1669 C B GLN A 84 ? -12.20071 21.06687 1.82707 0.570 11.40547 C ? A ? 83 C 1
   ATOM 1670 O B GLN A 84 ? -11.37565 20.60163 2.61702 0.570 13.76910 O ? A ? 83 O 1
   ATOM 1671 CB B GLN A 84 ? -12.78735 19.67055 -0.25547 0.570 12.06636 C ? A ? 83 CB 1
   ATOM 1672 CG B GLN A 84 ? -13.57004 18.35617 -0.77067 0.570 15.07998 C ? A ? 83 CG 1
   ATOM 1673 CD B GLN A 84 ? -13.18565 16.99225 -0.10463 0.570 29.69370 C ? A ? 83 CD 1
   ATOM 1674 OE1 B GLN A 84 ? -12.07243 16.44694 -0.29944 0.570 17.73052 O ? A ? 83 OE1 1
   ATOM 1675 NE2 B GLN A 84 ? -14.10456 16.43837 0.68258 0.570 13.88522 N ? A ? 83 NE2 1
   ATOM 1676 H B GLN A 84 ? -14.75592 21.06418 0.26345 0.570 12.71103 H ? A ? 83 H 1
   ATOM 1677 HA B GLN A 84 ? -13.26512 19.34967 1.69350 0.570 14.48524 H ? A ? 83 HA 1
   ATOM 1678 HB2 B GLN A 84 ? -12.95639 20.38271 -0.89199 0.570 14.48057 H ? A ? 83 HB2 1
   ATOM 1679 HB3 B GLN A 84 ? -11.84046 19.46100 -0.23583 0.570 14.48057 H ? A ? 83 HB3 1
   ATOM 1680 HG2 B GLN A 84 ? -14.51746 18.49011 -0.61144 0.570 18.09691 H ? A ? 83 HG2 1
   ATOM 1681 HG3 B GLN A 84 ? -13.40351 18.26193 -1.72161 0.570 18.09691 H ? A ? 83 HG3 1
   ATOM 1682 HE21 B GLN A 84 ? -14.86094 16.82982 0.80197 0.570 16.66320 H ? A ? 83 HE21 1
   ATOM 1683 HE22 B GLN A 84 ? -13.94203 15.68897 1.07193 0.570 16.66320 H ? A ? 83 HE22 1
   ATOM 1684 N A ALA A 85 ? -12.40242 21.78036 1.22829 0.430 7.36593 N ? A ? 84 N 1
   ATOM 1685 CA A ALA A 85 ? -11.45082 22.71961 1.80853 0.430 8.80207 C ? A ? 84 CA 1
   ATOM 1686 C A ALA A 85 ? -11.70469 22.85441 3.28836 0.430 8.18461 C ? A ? 84 C 1
   ATOM 1687 O A ALA A 85 ? -10.77558 22.90385 4.09334 0.430 7.66177 O ? A ? 84 O 1
   ATOM 1688 CB A ALA A 85 ? -11.52262 24.09506 1.13771 0.430 10.21575 C ? A ? 84 CB 1
   ATOM 1689 H A ALA A 85 ? -12.94244 22.12466 0.65433 0.430 8.84006 H ? A ? 84 H 1
   ATOM 1690 HA A ALA A 85 ? -10.55630 22.37833 1.65275 0.430 10.56342 H ? A ? 84 HA 1
   ATOM 1691 HB1 A ALA A 85 ? -10.85936 24.67755 1.53983 0.430 12.25984 H ? A ? 84 HB1 1
   ATOM 1692 HB2 A ALA A 85 ? -11.34291 23.99393 0.18988 0.430 12.25984 H ? A ? 84 HB2 1
   ATOM 1693 HB3 A ALA A 85 ? -12.40999 24.46431 1.26858 0.430 12.25984 H ? A ? 84 HB3 1
   ATOM 1694 N B ALA A 85 ? -12.26357 22.34892 1.57068 0.570 12.22978 N ? A ? 84 N 1
   ATOM 1695 CA B ALA A 85 ? -11.38690 23.26682 2.26932 0.570 11.46109 C ? A ? 84 CA 1
   ATOM 1696 C B ALA A 85 ? -11.71650 23.33776 3.77173 0.570 10.39873 C ? A ? 84 C 1
   ATOM 1697 O B ALA A 85 ? -10.85560 23.40922 4.63220 0.570 10.65534 O ? A ? 84 O 1
   ATOM 1698 CB B ALA A 85 ? -11.48523 24.65621 1.64977 0.570 14.33799 C ? A ? 84 CB 1
   ATOM 1699 H B ALA A 85 ? -12.79674 22.71561 1.00422 0.570 14.67667 H ? A ? 84 H 1
   ATOM 1700 HA B ALA A 85 ? -10.47566 22.94808 2.17465 0.570 13.75424 H ? A ? 84 HA 1
   ATOM 1701 HB1 B ALA A 85 ? -11.03084 25.29140 2.22506 0.570 17.20652 H ? A ? 84 HB1 1
   ATOM 1702 HB2 B ALA A 85 ? -11.06533 24.64256 0.77547 0.570 17.20652 H ? A ? 84 HB2 1
   ATOM 1703 HB3 B ALA A 85 ? -12.42062 24.89815 1.56373 0.570 17.20652 H ? A ? 84 HB3 1
   ATOM 1704 N A PHE A 86 ? -12.99148 22.95367 3.67902 0.430 8.31598 N ? A ? 85 N 1
   ATOM 1705 CA A PHE A 86 ? -13.37681 23.10672 5.08134 0.430 9.75169 C ? A ? 85 CA 1
   ATOM 1706 C A PHE A 86 ? -12.84724 21.92525 5.89120 0.430 10.55128 C ? A ? 85 C 1
   ATOM 1707 O A PHE A 86 ? -12.26408 22.08919 6.95281 0.430 7.55678 O ? A ? 85 O 1
   ATOM 1708 CB A PHE A 86 ? -14.91236 23.21824 5.19150 0.430 7.57624 C ? A ? 85 CB 1
   ATOM 1709 CG A PHE A 86 ? -15.41416 22.83536 6.55042 0.430 6.63802 C ? A ? 85 CG 1
   ATOM 1710 CD1 A PHE A 86 ? -15.18865 23.61538 7.62751 0.430 7.79648 C ? A ? 85 CD1 1
   ATOM 1711 CD2 A PHE A 86 ? -16.08220 21.59662 6.71607 0.430 6.64719 C ? A ? 85 CD2 1
   ATOM 1712 CE1 A PHE A 86 ? -15.60007 23.18810 8.90835 0.430 8.17054 C ? A ? 85 CE1 1
   ATOM 1713 CE2 A PHE A 86 ? -16.51646 21.12878 7.94126 0.430 6.36127 C ? A ? 85 CE2 1
   ATOM 1714 CZ A PHE A 86 ? -16.31104 21.94264 9.08307 0.430 9.56159 C ? A ? 85 CZ 1
   ATOM 1715 H A PHE A 86 ? -13.66215 22.93425 3.14104 0.430 9.98011 H ? A ? 85 H 1
   ATOM 1716 HA A PHE A 86 ? -13.00250 23.92370 5.44650 0.430 11.70296 H ? A ? 85 HA 1
   ATOM 1717 HB2 A PHE A 86 ? -15.17731 24.13523 5.01877 0.430 9.09243 H ? A ? 85 HB2 1
   ATOM 1718 HB3 A PHE A 86 ? -15.32118 22.62657 4.54058 0.430 9.09243 H ? A ? 85 HB3 1
   ATOM 1719 HD1 A PHE A 86 ? -14.76175 24.43537 7.52615 0.430 9.35671 H ? A ? 85 HD1 1
   ATOM 1720 HD2 A PHE A 86 ? -16.23581 21.07291 5.96305 0.430 7.97757 H ? A ? 85 HD2 1
   ATOM 1721 HE1 A PHE A 86 ? -15.41078 23.71584 9.65034 0.430 9.80558 H ? A ? 85 HE1 1
   ATOM 1722 HE2 A PHE A 86 ? -16.93312 20.30060 8.01486 0.430 7.63446 H ? A ? 85 HE2 1
   ATOM 1723 HZ A PHE A 86 ? -16.62434 21.68292 9.91931 0.430 11.47485 H ? A ? 85 HZ 1
   ATOM 1724 N B PHE A 86 ? -12.98932 23.41526 4.11884 0.570 10.43035 N ? A ? 85 N 1
   ATOM 1725 CA B PHE A 86 ? -13.37511 23.21082 5.53371 0.570 8.89911 C ? A ? 85 CA 1
   ATOM 1726 C B PHE A 86 ? -12.81014 21.90322 6.10057 0.570 8.06383 C ? A ? 85 C 1
   ATOM 1727 O B PHE A 86 ? -12.22855 21.91568 7.19059 0.570 9.65036 O ? A ? 85 O 1
   ATOM 1728 CB B PHE A 86 ? -14.92313 23.18909 5.65933 0.570 8.23644 C ? A ? 85 CB 1
   ATOM 1729 CG B PHE A 86 ? -15.42543 22.76257 7.02535 0.570 7.33292 C ? A ? 85 CG 1
   ATOM 1730 CD1 B PHE A 86 ? -15.23575 23.52526 8.19342 0.570 9.67808 C ? A ? 85 CD1 1
   ATOM 1731 CD2 B PHE A 86 ? -16.10695 21.56445 7.15262 0.570 7.90737 C ? A ? 85 CD2 1
   ATOM 1732 CE1 B PHE A 86 ? -15.65368 23.02178 9.39672 0.570 10.38646 C ? A ? 85 CE1 1
   ATOM 1733 CE2 B PHE A 86 ? -16.52312 21.17024 8.39962 0.570 9.14948 C ? A ? 85 CE2 1
   ATOM 1734 CZ B PHE A 86 ? -16.29794 22.00131 9.46252 0.570 11.22157 C ? A ? 85 CZ 1
   ATOM 1735 H B PHE A 86 ? -13.64121 23.57925 3.58241 0.570 12.51736 H ? A ? 85 H 1
   ATOM 1736 HA B PHE A 86 ? -13.01502 23.95046 6.04769 0.570 10.67987 H ? A ? 85 HA 1
   ATOM 1737 HB2 B PHE A 86 ? -15.26169 24.08140 5.48594 0.570 9.88467 H ? A ? 85 HB2 1
   ATOM 1738 HB3 B PHE A 86 ? -15.27934 22.56642 5.00642 0.570 9.88467 H ? A ? 85 HB3 1
   ATOM 1739 HD1 B PHE A 86 ? -14.83126 24.36149 8.14851 0.570 11.61464 H ? A ? 85 HD1 1
   ATOM 1740 HD2 B PHE A 86 ? -16.27963 21.03634 6.40684 0.570 9.48978 H ? A ? 85 HD2 1
   ATOM 1741 HE1 B PHE A 86 ? -15.43714 23.47469 10.17959 0.570 12.46469 H ? A ? 85 HE1 1
   ATOM 1742 HE2 B PHE A 86 ? -16.95043 20.35300 8.51978 0.570 10.98032 H ? A ? 85 HE2 1
   ATOM 1743 HZ B PHE A 86 ? -16.66255 21.76700 10.28536 0.570 13.46682 H ? A ? 85 HZ 1
   ATOM 1744 N . GLN A 87 ? -12.99455 20.74943 5.38065 1.000 8.77070 N ? A ? 86 N 1
   ATOM 1745 CA . GLN A 87 ? -12.49474 19.53023 6.00023 1.000 8.58087 C ? A ? 86 CA 1
   ATOM 1746 C . GLN A 87 ? -10.96431 19.53833 6.14778 1.000 9.30292 C ? A ? 86 C 1
   ATOM 1747 O . GLN A 87 ? -10.44790 19.00802 7.11696 1.000 9.57133 O ? A ? 86 O 1
   ATOM 1748 CB . GLN A 87 ? -13.00755 18.27733 5.30424 1.000 10.89039 C ? A ? 86 CB 1
   ATOM 1749 CG . GLN A 87 ? -14.57681 18.14401 5.52229 1.000 10.68896 C ? A ? 86 CG 1
   ATOM 1750 CD . GLN A 87 ? -15.00158 16.70867 5.21302 1.000 12.06372 C ? A ? 86 CD 1
   ATOM 1751 OE1 . GLN A 87 ? -14.71004 15.73957 5.97916 1.000 12.72505 O ? A ? 86 OE1 1
   ATOM 1752 NE2 . GLN A 87 ? -15.62289 16.57026 4.14204 1.000 13.04595 N ? A ? 86 NE2 1
   ATOM 1753 HA . GLN A 87 ? -12.86178 19.48525 6.89698 1.000 10.29798 H ? A ? 86 HA 1
   ATOM 1754 HB2 . GLN A 87 ? -12.82778 18.33505 4.35279 1.000 13.06940 H ? A ? 86 HB2 1
   ATOM 1755 HB3 . GLN A 87 ? -12.57236 17.49478 5.67723 1.000 13.06940 H ? A ? 86 HB3 1
   ATOM 1756 HG2 . GLN A 87 ? -14.80094 18.34804 6.44372 1.000 12.82769 H ? A ? 86 HG2 1
   ATOM 1757 HG3 . GLN A 87 ? -15.04588 18.74770 4.92527 1.000 12.82769 H ? A ? 86 HG3 1
   ATOM 1758 HE21 . GLN A 87 ? -15.77995 17.25398 3.64459 1.000 15.65607 H ? A ? 86 HE21 1
   ATOM 1759 HE22 . GLN A 87 ? -15.89471 15.79101 3.90022 1.000 15.65607 H ? A ? 86 HE22 1
   ATOM 1760 H A GLN A 87 ? -13.39905 20.60016 4.63654 0.430 10.52577 H ? A ? 86 H 1
   ATOM 1761 H B GLN A 87 ? -13.37081 20.67677 4.61075 0.570 10.52577 H ? A ? 86 H 1
   ATOM 1762 N A ASP A 88 ? -10.26664 20.19456 5.18515 0.455 8.77540 N ? A ? 87 N 1
   ATOM 1763 CA A ASP A 88 ? -8.82309 20.43512 5.27201 0.455 9.63649 C ? A ? 87 CA 1
   ATOM 1764 C A ASP A 88 ? -8.48533 21.28341 6.49361 0.455 9.01434 C ? A ? 87 C 1
   ATOM 1765 O A ASP A 88 ? -7.50321 21.01884 7.22032 0.455 9.43188 O ? A ? 87 O 1
   ATOM 1766 CB A ASP A 88 ? -8.30742 21.17759 4.01911 0.455 11.48695 C ? A ? 87 CB 1
   ATOM 1767 CG A ASP A 88 ? -8.32825 20.34414 2.73785 0.455 10.92056 C ? A ? 87 CG 1
   ATOM 1768 OD1 A ASP A 88 ? -8.48419 19.09929 2.74859 0.455 15.46941 O ? A ? 87 OD1 1
   ATOM 1769 OD2 A ASP A 88 ? -8.13284 21.04690 1.65697 0.455 13.61082 O ? A ? 87 OD2 1
   ATOM 1770 H A ASP A 88 ? -10.61921 20.51035 4.46711 0.455 10.53142 H ? A ? 87 H 1
   ATOM 1771 HA A ASP A 88 ? -8.38943 19.56946 5.33083 0.455 11.56473 H ? A ? 87 HA 1
   ATOM 1772 HB2 A ASP A 88 ? -8.86439 21.95766 3.87019 0.455 13.78528 H ? A ? 87 HB2 1
   ATOM 1773 HB3 A ASP A 88 ? -7.38989 21.45018 4.17633 0.455 13.78528 H ? A ? 87 HB3 1
   ATOM 1774 N B ASP A 88 ? -10.28173 20.16165 5.19587 0.545 8.73286 N ? A ? 87 N 1
   ATOM 1775 CA B ASP A 88 ? -8.85144 20.25228 5.33125 0.545 9.35752 C ? A ? 87 CA 1
   ATOM 1776 C B ASP A 88 ? -8.46195 21.24191 6.40991 0.545 8.73867 C ? A ? 87 C 1
   ATOM 1777 O B ASP A 88 ? -7.42744 21.05983 7.01541 0.545 9.57557 O ? A ? 87 O 1
   ATOM 1778 CB B ASP A 88 ? -8.17102 20.50796 3.99810 0.545 7.68274 C ? A ? 87 CB 1
   ATOM 1779 CG B ASP A 88 ? -8.04657 19.29490 3.18512 0.545 8.30631 C ? A ? 87 CG 1
   ATOM 1780 OD1 B ASP A 88 ? -8.13138 18.15205 3.70848 0.545 10.95923 O ? A ? 87 OD1 1
   ATOM 1781 OD2 B ASP A 88 ? -7.80324 19.48179 2.00641 0.545 10.76337 O ? A ? 87 OD2 1
   ATOM 1782 H B ASP A 88 ? -10.61660 20.52424 4.49160 0.545 10.48037 H ? A ? 87 H 1
   ATOM 1783 HA B ASP A 88 ? -8.50608 19.38977 5.61001 0.545 11.22996 H ? A ? 87 HA 1
   ATOM 1784 HB2 B ASP A 88 ? -8.69193 21.15390 3.49578 0.545 9.22022 H ? A ? 87 HB2 1
   ATOM 1785 HB3 B ASP A 88 ? -7.27935 20.85417 4.15925 0.545 9.22022 H ? A ? 87 HB3 1
   ATOM 1786 N A ASN A 89 ? -9.23010 22.37798 6.69011 0.455 9.09469 N ? A ? 88 N 1
   ATOM 1787 CA A ASN A 89 ? -9.07944 23.21767 7.84371 0.455 10.09742 C ? A ? 88 CA 1
   ATOM 1788 C A ASN A 89 ? -9.24104 22.39548 9.11632 0.455 8.70557 C ? A ? 88 C 1
   ATOM 1789 O A ASN A 89 ? -8.49361 22.61973 10.06966 0.455 8.48981 O ? A ? 88 O 1
   ATOM 1790 CB A ASN A 89 ? -10.04916 24.43110 7.78893 0.455 11.30814 C ? A ? 88 CB 1
   ATOM 1791 CG A ASN A 89 ? -9.61645 25.58489 6.77850 0.455 11.43329 C ? A ? 88 CG 1
   ATOM 1792 OD1 A ASN A 89 ? -9.23541 26.67403 7.21652 0.455 10.79092 O ? A ? 88 OD1 1
   ATOM 1793 ND2 A ASN A 89 ? -9.73890 25.34006 5.45094 0.455 7.80623 N ? A ? 88 ND2 1
   ATOM 1794 H A ASN A 89 ? -9.84022 22.64985 6.14842 0.455 10.91457 H ? A ? 88 H 1
   ATOM 1795 HA A ASN A 89 ? -8.18884 23.60198 7.84987 0.455 12.11784 H ? A ? 88 HA 1
   ATOM 1796 HB2 A ASN A 89 ? -10.92373 24.11491 7.51316 0.455 13.57071 H ? A ? 88 HB2 1
   ATOM 1797 HB3 A ASN A 89 ? -10.10233 24.82375 8.67432 0.455 13.57071 H ? A ? 88 HB3 1
   ATOM 1798 HD21 A ASN A 89 ? -9.51381 25.94255 4.88002 0.455 9.36841 H ? A ? 88 HD21 1
   ATOM 1799 HD22 A ASN A 89 ? -10.04167 24.58224 5.17957 0.455 9.36841 H ? A ? 88 HD22 1
   ATOM 1800 N B ASN A 89 ? -9.23991 22.27911 6.73646 0.545 9.19573 N ? A ? 88 N 1
   ATOM 1801 CA B ASN A 89 ? -8.98647 23.07938 7.92264 0.545 10.57659 C ? A ? 88 CA 1
   ATOM 1802 C B ASN A 89 ? -9.19701 22.26893 9.17308 0.545 10.94413 C ? A ? 88 C 1
   ATOM 1803 O B ASN A 89 ? -8.45129 22.37346 10.16016 0.545 12.94503 O ? A ? 88 O 1
   ATOM 1804 CB B ASN A 89 ? -9.86766 24.32949 7.96333 0.545 11.05885 C ? A ? 88 CB 1
   ATOM 1805 CG B ASN A 89 ? -9.27566 25.44478 7.13320 0.545 14.69798 C ? A ? 88 CG 1
   ATOM 1806 OD1 B ASN A 89 ? -9.86037 25.97438 6.25616 0.545 19.67050 O ? A ? 88 OD1 1
   ATOM 1807 ND2 B ASN A 89 ? -8.04005 25.70212 7.37586 0.545 18.21953 N ? A ? 88 ND2 1
   ATOM 1808 H B ASN A 89 ? -9.92293 22.53714 6.28203 0.545 11.03582 H ? A ? 88 H 1
   ATOM 1809 HA B ASN A 89 ? -8.06434 23.37758 7.88197 0.545 12.69285 H ? A ? 88 HA 1
   ATOM 1810 HB2 B ASN A 89 ? -10.74503 24.11642 7.60877 0.545 13.27156 H ? A ? 88 HB2 1
   ATOM 1811 HB3 B ASN A 89 ? -9.94610 24.63820 8.87954 0.545 13.27156 H ? A ? 88 HB3 1
   ATOM 1812 HD21 B ASN A 89 ? -7.63706 26.32498 6.94085 0.545 21.86437 H ? A ? 88 HD21 1
   ATOM 1813 HD22 B ASN A 89 ? -7.61624 25.25144 7.97326 0.545 21.86437 H ? A ? 88 HD22 1
   ATOM 1814 N . ILE A 90 ? -10.19622 21.41103 9.15422 1.000 9.40849 N ? A ? 89 N 1
   ATOM 1815 CA . ILE A 90 ? -10.38020 20.53601 10.28485 1.000 9.98405 C ? A ? 89 CA 1
   ATOM 1816 C . ILE A 90 ? -9.15557 19.66354 10.47055 1.000 9.46563 C ? A ? 89 C 1
   ATOM 1817 O . ILE A 90 ? -8.74478 19.40175 11.61041 1.000 11.13637 O ? A ? 89 O 1
   ATOM 1818 CB . ILE A 90 ? -11.68292 19.70633 10.16998 1.000 9.76443 C ? A ? 89 CB 1
   ATOM 1819 CG1 . ILE A 90 ? -12.92940 20.58546 10.27020 1.000 10.70164 C ? A ? 89 CG1 1
   ATOM 1820 CG2 . ILE A 90 ? -11.72905 18.67174 11.25469 1.000 11.89673 C ? A ? 89 CG2 1
   ATOM 1821 CD1 . ILE A 90 ? -13.24808 21.19573 11.64351 1.000 11.70760 C ? A ? 89 CD1 1
   ATOM 1822 HA . ILE A 90 ? -10.48301 21.08828 11.07562 1.000 11.98180 H ? A ? 89 HA 1
   ATOM 1823 HB . ILE A 90 ? -11.67573 19.28310 9.29721 1.000 11.71825 H ? A ? 89 HB 1
   ATOM 1824 HG12 . ILE A 90 ? -12.82393 21.32486 9.65127 1.000 12.84291 H ? A ? 89 HG12 1
   ATOM 1825 HG13 . ILE A 90 ? -13.69559 20.04733 10.01670 1.000 12.84291 H ? A ? 89 HG13 1
   ATOM 1826 HG21 . ILE A 90 ? -12.62841 18.31269 11.31062 1.000 14.27702 H ? A ? 89 HG21 1
   ATOM 1827 HG22 . ILE A 90 ? -11.10244 17.96261 11.04160 1.000 14.27702 H ? A ? 89 HG22 1
   ATOM 1828 HG23 . ILE A 90 ? -11.48542 19.08633 12.09711 1.000 14.27702 H ? A ? 89 HG23 1
   ATOM 1829 HD11 . ILE A 90 ? -13.87471 21.92685 11.52647 1.000 14.05006 H ? A ? 89 HD11 1
   ATOM 1830 HD12 . ILE A 90 ? -13.63932 20.51219 12.20973 1.000 14.05006 H ? A ? 89 HD12 1
   ATOM 1831 HD13 . ILE A 90 ? -12.42674 21.52451 12.04126 1.000 14.05006 H ? A ? 89 HD13 1
   ATOM 1832 H A ILE A 90 ? -10.74513 21.25045 8.51195 0.455 11.29113 H ? A ? 89 H 1
   ATOM 1833 H B ILE A 90 ? -10.76526 21.31920 8.51597 0.545 11.29113 H ? A ? 89 H 1
   ATOM 1834 N . VAL A 91 ? -8.51650 19.19320 9.39005 1.000 10.29424 N ? A ? 90 N 1
   ATOM 1835 CA . VAL A 91 ? -7.27824 18.41624 9.50824 1.000 10.37209 C ? A ? 90 CA 1
   ATOM 1836 C . VAL A 91 ? -6.21394 19.23864 10.23853 1.000 10.56843 C ? A ? 90 C 1
   ATOM 1837 O . VAL A 91 ? -5.47681 18.68633 11.10987 1.000 11.01070 O ? A ? 90 O 1
   ATOM 1838 CB . VAL A 91 ? -6.80376 17.91717 8.13324 1.000 10.28225 C ? A ? 90 CB 1
   ATOM 1839 CG1 . VAL A 91 ? -5.37195 17.27286 8.26717 1.000 12.04535 C ? A ? 90 CG1 1
   ATOM 1840 CG2 . VAL A 91 ? -7.74616 16.96400 7.50996 1.000 11.94843 C ? A ? 90 CG2 1
   ATOM 1841 H . VAL A 91 ? -8.77919 19.31032 8.57957 1.000 12.35403 H ? A ? 90 H 1
   ATOM 1842 HA . VAL A 91 ? -7.45718 17.62494 10.03996 1.000 12.44745 H ? A ? 90 HA 1
   ATOM 1843 HB . VAL A 91 ? -6.76208 18.68305 7.53946 1.000 12.33963 H ? A ? 90 HB 1
   ATOM 1844 HG11 . VAL A 91 ? -5.16178 16.79732 7.44827 1.000 14.45535 H ? A ? 90 HG11 1
   ATOM 1845 HG12 . VAL A 91 ? -4.72165 17.97680 8.41710 1.000 14.45535 H ? A ? 90 HG12 1
   ATOM 1846 HG13 . VAL A 91 ? -5.37159 16.65709 9.01665 1.000 14.45535 H ? A ? 90 HG13 1
   ATOM 1847 HG21 . VAL A 91 ? -7.41473 16.72111 6.63129 1.000 14.33905 H ? A ? 90 HG21 1
   ATOM 1848 HG22 . VAL A 91 ? -7.81190 16.17384 8.06874 1.000 14.33905 H ? A ? 90 HG22 1
   ATOM 1849 HG23 . VAL A 91 ? -8.61585 17.38614 7.43039 1.000 14.33905 H ? A ? 90 HG23 1
   ATOM 1850 N . LYS A 92 ? -6.09106 20.50643 9.95546 1.000 10.07006 N ? A ? 91 N 1
   ATOM 1851 CA . LYS A 92 ? -5.08707 21.32550 10.63616 1.000 10.13088 C ? A ? 91 CA 1
   ATOM 1852 C . LYS A 92 ? -5.40238 21.42170 12.12935 1.000 9.34434 C ? A ? 91 C 1
   ATOM 1853 O . LYS A 92 ? -4.47892 21.40105 12.97224 1.000 10.15008 O ? A ? 91 O 1
   ATOM 1854 CB . LYS A 92 ? -5.00233 22.70839 10.01670 1.000 11.34723 C ? A ? 91 CB 1
   ATOM 1855 CG . LYS A 92 ? -3.75563 23.49686 10.43985 1.000 13.55673 C ? A ? 91 CG 1
   ATOM 1856 CD . LYS A 92 ? -3.49808 24.78735 9.67203 1.000 15.70886 C ? A ? 91 CD 1
   ATOM 1857 CE . LYS A 92 ? -4.45524 25.87252 10.03801 1.000 35.33871 C ? A ? 91 CE 1
   ATOM 1858 NZ . LYS A 92 ? -4.17962 27.08976 9.24598 1.000 49.58846 N ? A ? 91 NZ 1
   ATOM 1859 H . LYS A 92 ? -6.56691 20.93035 9.37799 1.000 12.08501 H ? A ? 91 H 1
   ATOM 1860 HA . LYS A 92 ? -4.21741 20.91061 10.52449 1.000 12.15800 H ? A ? 91 HA 1
   ATOM 1861 HB2 . LYS A 92 ? -4.98218 22.61734 9.05119 1.000 13.61761 H ? A ? 91 HB2 1
   ATOM 1862 HB3 . LYS A 92 ? -5.78183 23.21927 10.28556 1.000 13.61761 H ? A ? 91 HB3 1
   ATOM 1863 HG2 . LYS A 92 ? -3.84741 23.73348 11.37606 1.000 16.26901 H ? A ? 91 HG2 1
   ATOM 1864 HG3 . LYS A 92 ? -2.97889 22.92926 10.31572 1.000 16.26901 H ? A ? 91 HG3 1
   ATOM 1865 HD2 . LYS A 92 ? -2.60087 25.09951 9.86820 1.000 18.85157 H ? A ? 91 HD2 1
   ATOM 1866 HD3 . LYS A 92 ? -3.58891 24.61463 8.72186 1.000 18.85157 H ? A ? 91 HD3 1
   ATOM 1867 HE2 . LYS A 92 ? -5.36232 25.58208 9.85429 1.000 42.40739 H ? A ? 91 HE2 1
   ATOM 1868 HE3 . LYS A 92 ? -4.35976 26.08701 10.97917 1.000 42.40739 H ? A ? 91 HE3 1
   ATOM 1869 HZ1 . LYS A 92 ? -4.84732 27.24047 8.67716 1.000 59.50709 H ? A ? 91 HZ1 1
   ATOM 1870 HZ2 . LYS A 92 ? -4.09635 27.79209 9.78625 1.000 59.50709 H ? A ? 91 HZ2 1
   ATOM 1871 HZ3 . LYS A 92 ? -3.42491 26.98871 8.78522 1.000 59.50709 H ? A ? 91 HZ3 1
   ATOM 1872 N A LEU A 93 ? -6.69095 21.56876 12.46613 0.438 9.72342 N ? A ? 92 N 1
   ATOM 1873 CA A LEU A 93 ? -7.10562 21.60509 13.86466 0.438 9.27662 C ? A ? 92 CA 1
   ATOM 1874 C A LEU A 93 ? -6.81068 20.27909 14.56151 0.438 9.31964 C ? A ? 92 C 1
   ATOM 1875 O A LEU A 93 ? -6.29881 20.27754 15.68563 0.438 9.67324 O ? A ? 92 O 1
   ATOM 1876 CB A LEU A 93 ? -8.60777 21.95956 13.94007 0.438 10.04094 C ? A ? 92 CB 1
   ATOM 1877 CG A LEU A 93 ? -9.16066 22.23559 15.34924 0.438 8.85144 C ? A ? 92 CG 1
   ATOM 1878 CD1 A LEU A 93 ? -8.74066 23.59565 15.78843 0.438 9.18449 C ? A ? 92 CD1 1
   ATOM 1879 CD2 A LEU A 93 ? -10.68601 22.03368 15.33078 0.438 9.02215 C ? A ? 92 CD2 1
   ATOM 1880 H A LEU A 93 ? -7.33738 21.64875 11.90459 0.438 11.66904 H ? A ? 92 H 1
   ATOM 1881 HA A LEU A 93 ? -6.61017 22.29339 14.33548 0.438 11.13289 H ? A ? 92 HA 1
   ATOM 1882 HB2 A LEU A 93 ? -8.75784 22.75808 13.41021 0.438 12.05007 H ? A ? 92 HB2 1
   ATOM 1883 HB3 A LEU A 93 ? -9.11319 21.21769 13.57252 0.438 12.05007 H ? A ? 92 HB3 1
   ATOM 1884 HG A LEU A 93 ? -8.80519 21.61919 16.00848 0.438 10.62266 H ? A ? 92 HG 1
   ATOM 1885 HD11 A LEU A 93 ? -9.14334 23.78777 16.64973 0.438 11.02233 H ? A ? 92 HD11 1
   ATOM 1886 HD12 A LEU A 93 ? -7.77379 23.61896 15.86274 0.438 11.02233 H ? A ? 92 HD12 1
   ATOM 1887 HD13 A LEU A 93 ? -9.03773 24.24521 15.13213 0.438 11.02233 H ? A ? 92 HD13 1
   ATOM 1888 HD21 A LEU A 93 ? -11.03643 22.19283 16.22117 0.438 10.82751 H ? A ? 92 HD21 1
   ATOM 1889 HD22 A LEU A 93 ? -11.07989 22.65997 14.70347 0.438 10.82751 H ? A ? 92 HD22 1
   ATOM 1890 HD23 A LEU A 93 ? -10.88084 21.12395 15.05635 0.438 10.82751 H ? A ? 92 HD23 1
   ATOM 1891 N B LEU A 93 ? -6.68577 21.58514 12.46091 0.562 9.61131 N ? A ? 92 N 1
   ATOM 1892 CA B LEU A 93 ? -7.11598 21.60556 13.85128 0.562 9.33292 C ? A ? 92 CA 1
   ATOM 1893 C B LEU A 93 ? -6.81621 20.28183 14.55475 0.562 9.31530 C ? A ? 92 C 1
   ATOM 1894 O B LEU A 93 ? -6.30086 20.29502 15.67822 0.562 9.43424 O ? A ? 92 O 1
   ATOM 1895 CB B LEU A 93 ? -8.62491 21.93996 13.86892 0.562 9.90959 C ? A ? 92 CB 1
   ATOM 1896 CG B LEU A 93 ? -9.20698 22.11866 15.26197 0.562 9.70094 C ? A ? 92 CG 1
   ATOM 1897 CD1 B LEU A 93 ? -8.52933 23.26386 15.96823 0.562 12.44788 C ? A ? 92 CD1 1
   ATOM 1898 CD2 B LEU A 93 ? -10.70772 22.40942 15.16964 0.562 9.81901 C ? A ? 92 CD2 1
   ATOM 1899 H B LEU A 93 ? -7.32605 21.68631 11.89575 0.562 11.53451 H ? A ? 92 H 1
   ATOM 1900 HA B LEU A 93 ? -6.63583 22.28644 14.34803 0.562 11.20045 H ? A ? 92 HA 1
   ATOM 1901 HB2 B LEU A 93 ? -8.76420 22.76762 13.38263 0.562 11.89244 H ? A ? 92 HB2 1
   ATOM 1902 HB3 B LEU A 93 ? -9.10721 21.21692 13.43822 0.562 11.89244 H ? A ? 92 HB3 1
   ATOM 1903 HG B LEU A 93 ? -9.06642 21.30370 15.76891 0.562 11.64207 H ? A ? 92 HG 1
   ATOM 1904 HD11 B LEU A 93 ? -8.99826 23.44519 16.79776 0.562 14.93840 H ? A ? 92 HD11 1
   ATOM 1905 HD12 B LEU A 93 ? -7.60929 23.01976 16.15489 0.562 14.93840 H ? A ? 92 HD12 1
   ATOM 1906 HD13 B LEU A 93 ? -8.55428 24.04684 15.39619 0.562 14.93840 H ? A ? 92 HD13 1
   ATOM 1907 HD21 B LEU A 93 ? -11.06084 22.53427 16.06441 0.562 11.78375 H ? A ? 92 HD21 1
   ATOM 1908 HD22 B LEU A 93 ? -10.84172 23.21474 14.64580 0.562 11.78375 H ? A ? 92 HD22 1
   ATOM 1909 HD23 B LEU A 93 ? -11.14901 21.65913 14.74159 0.562 11.78375 H ? A ? 92 HD23 1
   ATOM 1910 N . SER A 94 ? -7.09302 19.16529 13.90634 1.000 9.95323 N ? A ? 93 N 1
   ATOM 1911 CA . SER A 94 ? -6.72208 17.85179 14.42413 1.000 10.34605 C ? A ? 93 CA 1
   ATOM 1912 C . SER A 94 ? -5.22859 17.75416 14.67431 1.000 9.99159 C ? A ? 93 C 1
   ATOM 1913 O . SER A 94 ? -4.79289 17.17896 15.68663 1.000 11.11229 O ? A ? 93 O 1
   ATOM 1914 CB . SER A 94 ? -7.19434 16.75921 13.46083 1.000 10.14772 C ? A ? 93 CB 1
   ATOM 1915 OG . SER A 94 ? -8.59802 16.63359 13.39874 1.000 11.95184 O ? A ? 93 OG 1
   ATOM 1916 HA . SER A 94 ? -7.16818 17.71404 15.27437 1.000 12.41620 H ? A ? 93 HA 1
   ATOM 1917 HB2 . SER A 94 ? -6.86747 16.97300 12.57294 1.000 12.17820 H ? A ? 93 HB2 1
   ATOM 1918 HB3 . SER A 94 ? -6.82482 15.91208 13.75533 1.000 12.17820 H ? A ? 93 HB3 1
   ATOM 1919 HG . SER A 94 ? -8.94024 17.35719 13.14401 1.000 14.34314 H ? A ? 93 HG 1
   ATOM 1920 H A SER A 94 ? -7.50315 19.13699 13.15096 0.438 11.94481 H ? A ? 93 H 1
   ATOM 1921 H B SER A 94 ? -7.50201 19.13359 13.15048 0.562 11.94481 H ? A ? 93 H 1
   ATOM 1922 N . ALA A 95 ? -4.41332 18.20025 13.70976 1.000 10.12178 N ? A ? 94 N 1
   ATOM 1923 CA . ALA A 95 ? -2.96174 18.14890 13.90438 1.000 10.69565 C ? A ? 94 CA 1
   ATOM 1924 C . ALA A 95 ? -2.54027 18.93229 15.09514 1.000 10.73929 C ? A ? 94 C 1
   ATOM 1925 O . ALA A 95 ? -1.67005 18.48085 15.88933 1.000 12.19034 O ? A ? 94 O 1
   ATOM 1926 CB . ALA A 95 ? -2.23771 18.60759 12.62441 1.000 10.86133 C ? A ? 94 CB 1
   ATOM 1927 H . ALA A 95 ? -4.66842 18.52732 12.95640 1.000 12.14708 H ? A ? 94 H 1
   ATOM 1928 HA . ALA A 95 ? -2.69736 17.22988 14.06687 1.000 12.83572 H ? A ? 94 HA 1
   ATOM 1929 HB1 . ALA A 95 ? -1.27978 18.56453 12.77078 1.000 13.03453 H ? A ? 94 HB1 1
   ATOM 1930 HB2 . ALA A 95 ? -2.48726 18.02127 11.89307 1.000 13.03453 H ? A ? 94 HB2 1
   ATOM 1931 HB3 . ALA A 95 ? -2.50079 19.51906 12.42217 1.000 13.03453 H ? A ? 94 HB3 1
   ATOM 1932 N A ALA A 96 ? -3.08758 20.11821 15.28525 0.824 10.85244 N ? A ? 95 N 1
   ATOM 1933 CA A ALA A 96 ? -2.73439 20.91802 16.42481 0.824 10.77329 C ? A ? 95 CA 1
   ATOM 1934 C A ALA A 96 ? -3.17113 20.25735 17.71926 0.824 10.18284 C ? A ? 95 C 1
   ATOM 1935 O A ALA A 96 ? -2.39225 20.23191 18.68994 0.824 11.90346 O ? A ? 95 O 1
   ATOM 1936 CB A ALA A 96 ? -3.35493 22.28744 16.29429 0.824 12.38955 C ? A ? 95 CB 1
   ATOM 1937 H A ALA A 96 ? -3.66818 20.47971 14.76388 0.824 13.02387 H ? A ? 95 H 1
   ATOM 1938 HA A ALA A 96 ? -1.76984 21.01715 16.45155 0.824 12.92889 H ? A ? 95 HA 1
   ATOM 1939 HB1 A ALA A 96 ? -3.11406 22.81848 17.06946 0.824 14.86840 H ? A ? 95 HB1 1
   ATOM 1940 HB2 A ALA A 96 ? -3.02120 22.70978 15.48735 0.824 14.86840 H ? A ? 95 HB2 1
   ATOM 1941 HB3 A ALA A 96 ? -4.31909 22.19377 16.24414 0.824 14.86840 H ? A ? 95 HB3 1
   ATOM 1942 N B ALA A 96 ? -3.11778 20.12016 15.28922 0.176 10.90949 N ? A ? 95 N 1
   ATOM 1943 CA B ALA A 96 ? -2.74171 20.94045 16.43314 0.176 10.84485 C ? A ? 95 CA 1
   ATOM 1944 C B ALA A 96 ? -3.18465 20.31447 17.74839 0.176 10.29291 C ? A ? 95 C 1
   ATOM 1945 O B ALA A 96 ? -2.45186 20.39565 18.74706 0.176 11.64585 O ? A ? 95 O 1
   ATOM 1946 CB B ALA A 96 ? -3.35737 22.33074 16.29712 0.176 12.57928 C ? A ? 95 CB 1
   ATOM 1947 H B ALA A 96 ? -3.71919 20.46563 14.78074 0.176 13.09232 H ? A ? 95 H 1
   ATOM 1948 HA B ALA A 96 ? -1.77505 21.02002 16.44427 0.176 13.01476 H ? A ? 95 HA 1
   ATOM 1949 HB1 B ALA A 96 ? -3.11138 22.86209 17.07046 0.176 15.09607 H ? A ? 95 HB1 1
   ATOM 1950 HB2 B ALA A 96 ? -3.02047 22.74759 15.48864 0.176 15.09607 H ? A ? 95 HB2 1
   ATOM 1951 HB3 B ALA A 96 ? -4.32235 22.24537 16.24784 0.176 15.09607 H ? A ? 95 HB3 1
   ATOM 1952 N . ALA A 97 ? -4.38524 19.72547 17.78329 1.000 9.61728 N ? A ? 96 N 1
   ATOM 1953 CA . ALA A 97 ? -4.84931 19.05428 18.98327 1.000 10.45328 C ? A ? 96 CA 1
   ATOM 1954 C . ALA A 97 ? -4.03006 17.82440 19.28291 1.000 10.36931 C ? A ? 96 C 1
   ATOM 1955 O . ALA A 97 ? -3.73430 17.53017 20.46566 1.000 12.34491 O ? A ? 96 O 1
   ATOM 1956 CB . ALA A 97 ? -6.32188 18.74975 18.80077 1.000 10.96365 C ? A ? 96 CB 1
   ATOM 1957 HA . ALA A 97 ? -4.75119 19.62579 19.76086 1.000 12.54487 H ? A ? 96 HA 1
   ATOM 1958 HB1 . ALA A 97 ? -6.67360 18.38421 19.62755 1.000 13.15731 H ? A ? 96 HB1 1
   ATOM 1959 HB2 . ALA A 97 ? -6.78862 19.57006 18.57682 1.000 13.15731 H ? A ? 96 HB2 1
   ATOM 1960 HB3 . ALA A 97 ? -6.42444 18.10452 18.08379 1.000 13.15731 H ? A ? 96 HB3 1
   ATOM 1961 H A ALA A 97 ? -4.95995 19.74035 17.14369 0.824 11.54167 H ? A ? 96 H 1
   ATOM 1962 H B ALA A 97 ? -4.94077 19.70425 17.12714 0.176 11.54167 H ? A ? 96 H 1
   ATOM 1963 N . ASP A 98 ? -3.72426 17.06017 18.26103 1.000 11.06604 N ? A ? 97 N 1
   ATOM 1964 CA . ASP A 98 ? -2.98280 15.85146 18.48546 1.000 11.82281 C ? A ? 97 CA 1
   ATOM 1965 C . ASP A 98 ? -1.59235 16.16668 18.97837 1.000 12.61241 C ? A ? 97 C 1
   ATOM 1966 O . ASP A 98 ? -1.01313 15.34991 19.76090 1.000 16.66368 O ? A ? 97 O 1
   ATOM 1967 CB . ASP A 98 ? -2.87228 15.00564 17.20036 1.000 13.22278 C ? A ? 97 CB 1
   ATOM 1968 CG . ASP A 98 ? -4.12333 14.33403 16.80541 1.000 14.88730 C ? A ? 97 CG 1
   ATOM 1969 OD1 . ASP A 98 ? -5.11811 14.30647 17.58389 1.000 14.06183 O ? A ? 97 OD1 1
   ATOM 1970 OD2 . ASP A 98 ? -4.17111 13.73174 15.63036 1.000 15.86174 O ? A ? 97 OD2 1
   ATOM 1971 H . ASP A 98 ? -3.93156 17.21766 17.44138 1.000 13.28019 H ? A ? 97 H 1
   ATOM 1972 HA . ASP A 98 ? -3.46304 15.32555 19.14401 1.000 14.18831 H ? A ? 97 HA 1
   ATOM 1973 HB2 . ASP A 98 ? -2.60756 15.58568 16.46934 1.000 15.86827 H ? A ? 97 HB2 1
   ATOM 1974 HB3 . ASP A 98 ? -2.20162 14.31855 17.33825 1.000 15.86827 H ? A ? 97 HB3 1
   ATOM 1975 N . ALA A 99 ? -0.99899 17.27613 18.56248 1.000 13.34413 N ? A ? 98 N 1
   ATOM 1976 CA . ALA A 99 ? 0.30883 17.73136 19.00489 1.000 15.09895 C ? A ? 98 CA 1
   ATOM 1977 C . ALA A 99 ? 0.27263 18.37294 20.37695 1.000 14.87859 C ? A ? 98 C 1
   ATOM 1978 O . ALA A 99 ? 1.35607 18.57486 21.00831 1.000 17.33829 O ? A ? 98 O 1
   ATOM 1979 CB . ALA A 99 ? 0.89237 18.70369 17.98263 1.000 16.86706 C ? A ? 98 CB 1
   ATOM 1980 H . ALA A 99 ? -1.35320 17.81313 17.99173 1.000 16.01389 H ? A ? 98 H 1
   ATOM 1981 HA . ALA A 99 ? 0.90817 16.97051 19.05779 1.000 18.11968 H ? A ? 98 HA 1
   ATOM 1982 HB1 . ALA A 99 ? 1.77968 18.96965 18.27045 1.000 20.24141 H ? A ? 98 HB1 1
   ATOM 1983 HB2 . ALA A 99 ? 0.94274 18.26261 17.12018 1.000 20.24141 H ? A ? 98 HB2 1
   ATOM 1984 HB3 . ALA A 99 ? 0.31680 19.48218 17.92289 1.000 20.24141 H ? A ? 98 HB3 1
   ATOM 1985 N . GLY A 100 ? -0.89007 18.71138 20.92511 1.000 12.85457 N ? A ? 99 N 1
   ATOM 1986 CA . GLY A 100 ? -0.98297 19.42734 22.18086 1.000 13.13546 C ? A ? 99 CA 1
   ATOM 1987 C . GLY A 100 ? -0.45125 20.82348 22.11275 1.000 14.05564 C ? A ? 99 C 1
   ATOM 1988 O . GLY A 100 ? 0.06405 21.37717 23.10498 1.000 14.64439 O ? A ? 99 O 1
   ATOM 1989 H . GLY A 100 ? -1.65609 18.53170 20.57792 1.000 15.42642 H ? A ? 99 H 1
   ATOM 1990 HA2 . GLY A 100 ? -1.91351 19.47210 22.45104 1.000 15.76348 H ? A ? 99 HA2 1
   ATOM 1991 HA3 . GLY A 100 ? -0.48063 18.94619 22.85690 1.000 15.76348 H ? A ? 99 HA3 1
   ATOM 1992 N . ASP A 101 ? -0.56913 21.45902 20.96415 1.000 14.06759 N ? A ? 100 N 1
   ATOM 1993 CA . ASP A 101 ? 0.03802 22.76142 20.72923 1.000 15.38550 C ? A ? 100 CA 1
   ATOM 1994 C . ASP A 101 ? -1.06512 23.82144 20.73694 1.000 13.28465 C ? A ? 100 C 1
   ATOM 1995 O . ASP A 101 ? -1.79389 23.97792 19.75664 1.000 13.14112 O ? A ? 100 O 1
   ATOM 1996 CB . ASP A 101 ? 0.79683 22.74010 19.41338 1.000 15.95480 C ? A ? 100 CB 1
   ATOM 1997 CG . ASP A 101 ? 1.56317 23.98472 19.11204 1.000 16.98625 C ? A ? 100 CG 1
   ATOM 1998 OD1 . ASP A 101 ? 1.17595 25.06376 19.47705 1.000 16.33865 O ? A ? 100 OD1 1
   ATOM 1999 OD2 . ASP A 101 ? 2.65216 23.81310 18.42649 1.000 22.11098 O ? A ? 100 OD2 1
   ATOM 2000 H . ASP A 101 ? -1.00461 21.15259 20.28884 1.000 16.88205 H ? A ? 100 H 1
   ATOM 2001 HA . ASP A 101 ? 0.65199 22.97696 21.44859 1.000 18.46354 H ? A ? 100 HA 1
   ATOM 2002 HB2 . ASP A 101 ? 1.43054 22.00604 19.43496 1.000 19.14670 H ? A ? 100 HB2 1
   ATOM 2003 HB3 . ASP A 101 ? 0.16079 22.60821 18.69298 1.000 19.14670 H ? A ? 100 HB3 1
   ATOM 2004 N . LEU A 102 ? -1.13837 24.57428 21.80499 1.000 13.66810 N ? A ? 101 N 1
   ATOM 2005 CA . LEU A 102 ? -2.18054 25.55652 21.95219 1.000 16.10479 C ? A ? 101 CA 1
   ATOM 2006 C . LEU A 102 ? -2.07866 26.71200 20.96856 1.000 15.21132 C ? A ? 101 C 1
   ATOM 2007 O . LEU A 102 ? -3.13499 27.23790 20.53132 1.000 14.94183 O ? A ? 101 O 1
   ATOM 2008 CB . LEU A 102 ? -2.17902 26.09755 23.37798 1.000 19.72183 C ? A ? 101 CB 1
   ATOM 2009 CG . LEU A 102 ? -3.17125 27.10318 23.80393 1.000 18.87637 C ? A ? 101 CG 1
   ATOM 2010 CD1 . LEU A 102 ? -4.62151 26.65741 23.64417 1.000 23.05107 C ? A ? 101 CD1 1
   ATOM 2011 CD2 . LEU A 102 ? -2.90734 27.62106 25.24285 1.000 26.35040 C ? A ? 101 CD2 1
   ATOM 2012 H . LEU A 102 ? -0.59183 24.53770 22.46798 1.000 16.40265 H ? A ? 101 H 1
   ATOM 2013 HA . LEU A 102 ? -3.02020 25.10633 21.77002 1.000 19.32669 H ? A ? 101 HA 1
   ATOM 2014 HB2 . LEU A 102 ? -2.29835 25.33818 23.96960 1.000 23.66714 H ? A ? 101 HB2 1
   ATOM 2015 HB3 . LEU A 102 ? -1.30966 26.50105 23.52729 1.000 23.66714 H ? A ? 101 HB3 1
   ATOM 2016 HG . LEU A 102 ? -3.05474 27.84760 23.19306 1.000 22.65258 H ? A ? 101 HG 1
   ATOM 2017 HD11 . LEU A 102 ? -5.20614 27.37228 23.94093 1.000 27.66222 H ? A ? 101 HD11 1
   ATOM 2018 HD12 . LEU A 102 ? -4.78977 26.45889 22.70973 1.000 27.66222 H ? A ? 101 HD12 1
   ATOM 2019 HD13 . LEU A 102 ? -4.76924 25.86423 24.18264 1.000 27.66222 H ? A ? 101 HD13 1
   ATOM 2020 HD21 . LEU A 102 ? -3.57484 28.28869 25.46558 1.000 31.62142 H ? A ? 101 HD21 1
   ATOM 2021 HD22 . LEU A 102 ? -2.96476 26.87652 25.86194 1.000 31.62142 H ? A ? 101 HD22 1
   ATOM 2022 HD23 . LEU A 102 ? -2.02130 28.01411 25.27947 1.000 31.62142 H ? A ? 101 HD23 1
   ATOM 2023 N . ASP A 103 ? -0.84785 27.11954 20.62386 1.000 15.75650 N ? A ? 102 N 1
   ATOM 2024 CA . ASP A 103 ? -0.72756 28.19818 19.63579 1.000 17.26824 C ? A ? 102 CA 1
   ATOM 2025 C . ASP A 103 ? -1.21749 27.73760 18.28496 1.000 14.18478 C ? A ? 102 C 1
   ATOM 2026 O . ASP A 103 ? -1.96534 28.47678 17.59763 1.000 12.81344 O ? A ? 102 O 1
   ATOM 2027 CB . ASP A 103 ? 0.72326 28.66181 19.48834 1.000 18.77174 C ? A ? 102 CB 1
   ATOM 2028 CG . ASP A 103 ? 1.21378 29.33528 20.73004 1.000 37.00031 C ? A ? 102 CG 1
   ATOM 2029 OD1 . ASP A 103 ? 0.56391 30.28967 21.19169 1.000 28.26575 O ? A ? 102 OD1 1
   ATOM 2030 OD2 . ASP A 103 ? 2.20363 28.85861 21.28877 1.000 48.31826 O ? A ? 102 OD2 1
   ATOM 2031 H . ASP A 103 ? -0.10854 26.80504 20.93063 1.000 18.90874 H ? A ? 102 H 1
   ATOM 2032 HA . ASP A 103 ? -1.25812 28.94572 19.95296 1.000 20.72283 H ? A ? 102 HA 1
   ATOM 2033 HB2 . ASP A 103 ? 1.28928 27.89359 19.31410 1.000 22.52702 H ? A ? 102 HB2 1
   ATOM 2034 HB3 . ASP A 103 ? 0.78524 29.29286 18.75429 1.000 22.52702 H ? A ? 102 HB3 1
   ATOM 2035 N . LYS A 104 ? -0.85519 26.53490 17.88999 1.000 13.50977 N ? A ? 103 N 1
   ATOM 2036 CA . LYS A 104 ? -1.38180 26.00326 16.67136 1.000 12.74885 C ? A ? 103 CA 1
   ATOM 2037 C . LYS A 104 ? -2.89140 25.83654 16.74821 1.000 11.59379 C ? A ? 103 C 1
   ATOM 2038 O . LYS A 104 ? -3.59898 26.01032 15.73511 1.000 12.36232 O ? A ? 103 O 1
   ATOM 2039 H . LYS A 104 ? -0.31149 26.01713 18.30938 1.000 16.21267 H ? A ? 103 H 1
   ATOM 2040 HA . LYS A 104 ? -1.18171 26.63965 15.96718 1.000 15.29956 H ? A ? 103 HA 1
   ATOM 2041 CB A LYS A 104 ? -0.69441 24.69710 16.25674 0.800 14.75434 C ? A ? 103 CB 1
   ATOM 2042 CG A LYS A 104 ? 0.73847 24.92633 15.65557 0.800 15.59028 C ? A ? 103 CG 1
   ATOM 2043 CD A LYS A 104 ? 1.24226 23.58497 15.09684 0.800 33.11102 C ? A ? 103 CD 1
   ATOM 2044 CE A LYS A 104 ? 2.41055 23.78727 14.11985 0.800 45.41403 C ? A ? 103 CE 1
   ATOM 2045 NZ A LYS A 104 ? 3.02797 22.50491 13.63091 0.800 48.99125 N ? A ? 103 NZ 1
   ATOM 2046 HB2 A LYS A 104 ? -0.60503 24.12661 17.03613 0.800 17.70615 H ? A ? 103 HB2 1
   ATOM 2047 HB3 A LYS A 104 ? -1.23537 24.25612 15.58309 0.800 17.70615 H ? A ? 103 HB3 1
   ATOM 2048 HG2 A LYS A 104 ? 0.69924 25.57672 14.93699 0.800 18.70927 H ? A ? 103 HG2 1
   ATOM 2049 HG3 A LYS A 104 ? 1.34598 25.23224 16.34712 0.800 18.70927 H ? A ? 103 HG3 1
   ATOM 2050 HD2 A LYS A 104 ? 1.54935 23.02688 15.82837 0.800 39.73416 H ? A ? 103 HD2 1
   ATOM 2051 HD3 A LYS A 104 ? 0.52084 23.14288 14.62250 0.800 39.73416 H ? A ? 103 HD3 1
   ATOM 2052 HE2 A LYS A 104 ? 2.08799 24.27312 13.34473 0.800 54.49778 H ? A ? 103 HE2 1
   ATOM 2053 HE3 A LYS A 104 ? 3.10488 24.29719 14.56570 0.800 54.49778 H ? A ? 103 HE3 1
   ATOM 2054 HZ1 A LYS A 104 ? 3.62604 22.67811 12.99498 0.800 58.79043 H ? A ? 103 HZ1 1
   ATOM 2055 HZ2 A LYS A 104 ? 3.43429 22.08690 14.30342 0.800 58.79043 H ? A ? 103 HZ2 1
   ATOM 2056 HZ3 A LYS A 104 ? 2.39823 21.97156 13.29763 0.800 58.79043 H ? A ? 103 HZ3 1
   ATOM 2057 CB B LYS A 104 ? -0.69992 24.68103 16.30603 0.200 14.91291 C ? A ? 103 CB 1
   ATOM 2058 CG B LYS A 104 ? 0.76297 24.83364 15.89258 0.200 22.64419 C ? A ? 103 CG 1
   ATOM 2059 CD B LYS A 104 ? 1.37513 23.47048 15.58171 0.200 25.29805 C ? A ? 103 CD 1
   ATOM 2060 CE B LYS A 104 ? 2.75145 23.58242 14.94974 0.200 32.40478 C ? A ? 103 CE 1
   ATOM 2061 NZ B LYS A 104 ? 3.67799 24.38385 15.76937 0.200 33.52772 N ? A ? 103 NZ 1
   ATOM 2062 HB2 B LYS A 104 ? -0.72963 24.09214 17.07624 0.200 17.89643 H ? A ? 103 HB2 1
   ATOM 2063 HB3 B LYS A 104 ? -1.17690 24.27961 15.56289 0.200 17.89643 H ? A ? 103 HB3 1
   ATOM 2064 HG2 B LYS A 104 ? 0.82024 25.38673 15.09778 0.200 27.17397 H ? A ? 103 HG2 1
   ATOM 2065 HG3 B LYS A 104 ? 1.26476 25.24002 16.61643 0.200 27.17397 H ? A ? 103 HG3 1
   ATOM 2066 HD2 B LYS A 104 ? 1.46275 22.96635 16.40577 0.200 30.35860 H ? A ? 103 HD2 1
   ATOM 2067 HD3 B LYS A 104 ? 0.79770 22.99677 14.96278 0.200 30.35860 H ? A ? 103 HD3 1
   ATOM 2068 HE2 B LYS A 104 ? 3.12854 22.69444 14.84876 0.200 38.88667 H ? A ? 103 HE2 1
   ATOM 2069 HE3 B LYS A 104 ? 2.66971 24.00875 14.08230 0.200 38.88667 H ? A ? 103 HE3 1
   ATOM 2070 HZ1 B LYS A 104 ? 4.44973 24.49130 15.33930 0.200 40.23420 H ? A ? 103 HZ1 1
   ATOM 2071 HZ2 B LYS A 104 ? 3.32487 25.18417 15.93340 0.200 40.23420 H ? A ? 103 HZ2 1
   ATOM 2072 HZ3 B LYS A 104 ? 3.83339 23.97261 16.54321 0.200 40.23420 H ? A ? 103 HZ3 1
   ATOM 2073 N . LEU A 105 ? -3.37429 25.42653 17.90611 1.000 11.13747 N ? A ? 104 N 1
   ATOM 2074 CA . LEU A 105 ? -4.81137 25.19418 18.03395 1.000 10.55555 C ? A ? 104 CA 1
   ATOM 2075 C . LEU A 105 ? -5.59878 26.49500 17.84074 1.000 10.94728 C ? A ? 104 C 1
   ATOM 2076 O . LEU A 105 ? -6.59895 26.54540 17.12955 1.000 11.28998 O ? A ? 104 O 1
   ATOM 2077 CB . LEU A 105 ? -5.13580 24.64313 19.42033 1.000 12.58686 C ? A ? 104 CB 1
   ATOM 2078 CG . LEU A 105 ? -6.54459 24.12062 19.62148 1.000 12.93175 C ? A ? 104 CG 1
   ATOM 2079 CD1 . LEU A 105 ? -6.68320 22.72079 19.08224 1.000 13.77980 C ? A ? 104 CD1 1
   ATOM 2080 CD2 . LEU A 105 ? -6.96761 24.14200 21.09626 1.000 16.27065 C ? A ? 104 CD2 1
   ATOM 2081 H . LEU A 105 ? -2.91153 25.27788 18.61558 1.000 13.36590 H ? A ? 104 H 1
   ATOM 2082 HA . LEU A 105 ? -5.07168 24.54815 17.35883 1.000 12.66759 H ? A ? 104 HA 1
   ATOM 2083 HB2 . LEU A 105 ? -4.52940 23.90816 19.60202 1.000 15.10517 H ? A ? 104 HB2 1
   ATOM 2084 HB3 . LEU A 105 ? -4.99914 25.35349 20.06657 1.000 15.10517 H ? A ? 104 HB3 1
   ATOM 2085 HG . LEU A 105 ? -7.13922 24.71110 19.13296 1.000 15.51903 H ? A ? 104 HG 1
   ATOM 2086 HD11 . LEU A 105 ? -7.59604 22.42047 19.21422 1.000 16.53670 H ? A ? 104 HD11 1
   ATOM 2087 HD12 . LEU A 105 ? -6.46966 22.72427 18.13604 1.000 16.53670 H ? A ? 104 HD12 1
   ATOM 2088 HD13 . LEU A 105 ? -6.07106 22.13729 19.55734 1.000 16.53670 H ? A ? 104 HD13 1
   ATOM 2089 HD21 . LEU A 105 ? -7.87139 23.79769 21.17058 1.000 19.52571 H ? A ? 104 HD21 1
   ATOM 2090 HD22 . LEU A 105 ? -6.35882 23.58621 21.60751 1.000 19.52571 H ? A ? 104 HD22 1
   ATOM 2091 HD23 . LEU A 105 ? -6.93381 25.05530 21.42128 1.000 19.52571 H ? A ? 104 HD23 1
   ATOM 2092 N . ARG A 106 ? -5.15889 27.57979 18.43884 1.000 11.12176 N ? A ? 105 N 1
   ATOM 2093 CA . ARG A 106 ? -5.79512 28.91104 18.29070 1.000 11.61343 C ? A ? 105 CA 1
   ATOM 2094 C . ARG A 106 ? -5.84715 29.33698 16.85359 1.000 11.91312 C ? A ? 105 C 1
   ATOM 2095 O . ARG A 106 ? -6.88379 29.80105 16.36046 1.000 12.32419 O ? A ? 105 O 1
   ATOM 2096 CB . ARG A 106 ? -4.96770 29.97505 19.05626 1.000 13.79007 C ? A ? 105 CB 1
   ATOM 2097 CG . ARG A 106 ? -5.07705 29.95064 20.51730 1.000 22.48680 C ? A ? 105 CG 1
   ATOM 2098 CD . ARG A 106 ? -4.73063 31.45040 21.04185 1.000 23.68286 C ? A ? 105 CD 1
   ATOM 2099 NE . ARG A 106 ? -3.58779 32.11385 20.40686 1.000 45.16535 N ? A ? 105 NE 1
   ATOM 2100 CZ . ARG A 106 ? -3.35616 33.43863 20.40800 1.000 45.74430 C ? A ? 105 CZ 1
   ATOM 2101 NH1 . ARG A 106 ? -4.18425 34.28524 20.99109 1.000 22.66067 N ? A ? 105 NH1 1
   ATOM 2102 NH2 . ARG A 106 ? -2.24235 33.93477 19.82033 1.000 20.31842 N ? A ? 105 NH2 1
   ATOM 2103 H . ARG A 106 ? -4.47278 27.59457 18.95714 1.000 13.34705 H ? A ? 105 H 1
   ATOM 2104 HA . ARG A 106 ? -6.69320 28.84911 18.65197 1.000 13.93706 H ? A ? 105 HA 1
   ATOM 2105 HB2 . ARG A 106 ? -4.03166 29.84499 18.83757 1.000 16.54902 H ? A ? 105 HB2 1
   ATOM 2106 HB3 . ARG A 106 ? -5.25816 30.85271 18.76260 1.000 16.54902 H ? A ? 105 HB3 1
   ATOM 2107 HG2 . ARG A 106 ? -5.97861 29.71372 20.78557 1.000 26.98509 H ? A ? 105 HG2 1
   ATOM 2108 HG3 . ARG A 106 ? -4.44257 29.32100 20.89398 1.000 26.98509 H ? A ? 105 HG3 1
   ATOM 2109 HD2 . ARG A 106 ? -5.50674 32.01147 20.88774 1.000 28.42037 H ? A ? 105 HD2 1
   ATOM 2110 HD3 . ARG A 106 ? -4.53959 31.40199 21.99162 1.000 28.42037 H ? A ? 105 HD3 1
   ATOM 2111 HE . ARG A 106 ? -3.01819 31.61436 19.99983 1.000 54.19936 H ? A ? 105 HE 1
   ATOM 2112 HH11 . ARG A 106 ? -4.89214 33.99354 21.38275 1.000 27.19375 H ? A ? 105 HH11 1
   ATOM 2113 HH12 . ARG A 106 ? -4.01585 35.12851 20.97931 1.000 27.19375 H ? A ? 105 HH12 1
   ATOM 2114 HH21 . ARG A 106 ? -1.68072 33.40251 19.44501 1.000 24.38304 H ? A ? 105 HH21 1
   ATOM 2115 HH22 . ARG A 106 ? -2.09629 34.78228 19.82228 1.000 24.38304 H ? A ? 105 HH22 1
   ATOM 2116 N A ALA A 107 ? -4.74178 29.18181 16.13008 0.202 11.14722 N ? A ? 106 N 1
   ATOM 2117 CA A ALA A 107 ? -4.69598 29.62802 14.73678 0.202 11.41758 C ? A ? 106 CA 1
   ATOM 2118 C A ALA A 107 ? -5.54680 28.73913 13.83671 0.202 11.49504 C ? A ? 106 C 1
   ATOM 2119 O A ALA A 107 ? -6.18415 29.18735 12.88071 0.202 6.14519 O ? A ? 106 O 1
   ATOM 2120 CB A ALA A 107 ? -3.24082 29.62347 14.26779 0.202 12.26529 C ? A ? 106 CB 1
   ATOM 2121 H A ALA A 107 ? -4.01264 28.82622 16.41557 0.202 13.37761 H ? A ? 106 H 1
   ATOM 2122 HA A ALA A 107 ? -5.04843 30.52959 14.67464 0.202 13.70204 H ? A ? 106 HA 1
   ATOM 2123 HB1 A ALA A 107 ? -3.20378 29.93579 13.35019 0.202 14.71929 H ? A ? 106 HB1 1
   ATOM 2124 HB2 A ALA A 107 ? -2.72314 30.21241 14.83881 0.202 14.71929 H ? A ? 106 HB2 1
   ATOM 2125 HB3 A ALA A 107 ? -2.89381 28.71940 14.32375 0.202 14.71929 H ? A ? 106 HB3 1
   ATOM 2126 N B ALA A 107 ? -4.74765 29.17372 16.16233 0.798 11.02808 N ? A ? 106 N 1
   ATOM 2127 CA B ALA A 107 ? -4.67601 29.60742 14.77502 0.798 11.42163 C ? A ? 106 CA 1
   ATOM 2128 C B ALA A 107 ? -5.59895 28.78237 13.92734 0.798 11.69496 C ? A ? 106 C 1
   ATOM 2129 O B ALA A 107 ? -6.37950 29.32662 13.14079 0.798 12.18562 O ? A ? 106 O 1
   ATOM 2130 CB B ALA A 107 ? -3.21880 29.54139 14.30003 0.798 12.11706 C ? A ? 106 CB 1
   ATOM 2131 H B ALA A 107 ? -4.02556 28.81657 16.46339 0.798 13.23464 H ? A ? 106 H 1
   ATOM 2132 HA B ALA A 107 ? -4.95936 30.53106 14.68847 0.798 13.70689 H ? A ? 106 HA 1
   ATOM 2133 HB1 B ALA A 107 ? -3.16927 29.86521 13.38702 0.798 14.54141 H ? A ? 106 HB1 1
   ATOM 2134 HB2 B ALA A 107 ? -2.67274 30.09686 14.87809 0.798 14.54141 H ? A ? 106 HB2 1
   ATOM 2135 HB3 B ALA A 107 ? -2.91447 28.62130 14.34163 0.798 14.54141 H ? A ? 106 HB3 1
   ATOM 2136 N . ALA A 108 ? -5.53800 27.45991 14.08404 1.000 10.75418 N ? A ? 107 N 1
   ATOM 2137 CA . ALA A 108 ? -6.39872 26.59533 13.31545 1.000 11.07004 C ? A ? 107 CA 1
   ATOM 2138 C . ALA A 108 ? -7.85098 26.82680 13.61522 1.000 9.71127 C ? A ? 107 C 1
   ATOM 2139 O . ALA A 108 ? -8.69055 26.72600 12.69627 1.000 11.14030 O ? A ? 107 O 1
   ATOM 2140 CB . ALA A 108 ? -5.96872 25.15714 13.54326 1.000 11.93698 C ? A ? 107 CB 1
   ATOM 2141 HA . ALA A 108 ? -6.30241 26.78639 12.36935 1.000 13.28499 H ? A ? 107 HA 1
   ATOM 2142 HB1 . ALA A 108 ? -6.55672 24.56889 13.04413 1.000 14.32532 H ? A ? 107 HB1 1
   ATOM 2143 HB2 . ALA A 108 ? -5.05468 25.04856 13.23726 1.000 14.32532 H ? A ? 107 HB2 1
   ATOM 2144 HB3 . ALA A 108 ? -6.02646 24.95653 14.49053 1.000 14.32532 H ? A ? 107 HB3 1
   ATOM 2145 H A ALA A 108 ? -5.05488 27.06882 14.67839 0.202 12.90595 H ? A ? 107 H 1
   ATOM 2146 H B ALA A 108 ? -5.00939 27.05128 14.62552 0.798 12.90595 H ? A ? 107 H 1
   ATOM 2147 N A PHE A 109 ? -8.17639 27.08630 14.86005 0.653 9.60437 N ? A ? 108 N 1
   ATOM 2148 CA A PHE A 109 ? -9.55558 27.27887 15.22022 0.653 9.98145 C ? A ? 108 CA 1
   ATOM 2149 C A PHE A 109 ? -10.10426 28.46521 14.46879 0.653 9.84480 C ? A ? 108 C 1
   ATOM 2150 O A PHE A 109 ? -11.22191 28.38827 13.90879 0.653 12.19136 O ? A ? 108 O 1
   ATOM 2151 CB A PHE A 109 ? -9.61944 27.45135 16.74757 0.653 10.54087 C ? A ? 108 CB 1
   ATOM 2152 CG A PHE A 109 ? -10.99886 27.47226 17.31018 0.653 11.41253 C ? A ? 108 CG 1
   ATOM 2153 CD1 A PHE A 109 ? -11.64762 26.31349 17.68481 0.653 12.34412 C ? A ? 108 CD1 1
   ATOM 2154 CD2 A PHE A 109 ? -11.58001 28.72110 17.60210 0.653 13.78551 C ? A ? 108 CD2 1
   ATOM 2155 CE1 A PHE A 109 ? -12.92768 26.38907 18.27012 0.653 11.79228 C ? A ? 108 CE1 1
   ATOM 2156 CE2 A PHE A 109 ? -12.84718 28.78718 18.20596 0.653 12.27992 C ? A ? 108 CE2 1
   ATOM 2157 CZ A PHE A 109 ? -13.48076 27.61301 18.54803 0.653 10.42848 C ? A ? 108 CZ 1
   ATOM 2158 H A PHE A 109 ? -7.62001 27.15578 15.51213 0.653 11.52618 H ? A ? 108 H 1
   ATOM 2159 HA A PHE A 109 ? -10.11099 26.51729 14.99126 0.653 11.97868 H ? A ? 108 HA 1
   ATOM 2160 HB2 A PHE A 109 ? -9.14537 26.71345 17.16189 0.653 12.64998 H ? A ? 108 HB2 1
   ATOM 2161 HB3 A PHE A 109 ? -9.19498 28.29157 16.98161 0.653 12.64998 H ? A ? 108 HB3 1
   ATOM 2162 HD1 A PHE A 109 ? -11.24247 25.48701 17.55183 0.653 14.81388 H ? A ? 108 HD1 1
   ATOM 2163 HD2 A PHE A 109 ? -11.12387 29.50456 17.39466 0.653 16.54356 H ? A ? 108 HD2 1
   ATOM 2164 HE1 A PHE A 109 ? -13.39637 25.61043 18.46750 0.653 14.15167 H ? A ? 108 HE1 1
   ATOM 2165 HE2 A PHE A 109 ? -13.25058 29.60861 18.37158 0.653 14.73684 H ? A ? 108 HE2 1
   ATOM 2166 HZ A PHE A 109 ? -14.30436 27.65108 18.97829 0.653 12.51512 H ? A ? 108 HZ 1
   ATOM 2167 N B PHE A 109 ? -8.20772 27.13001 14.87600 0.347 9.39361 N ? A ? 108 N 1
   ATOM 2168 CA B PHE A 109 ? -9.60602 27.39493 15.24325 0.347 10.05747 C ? A ? 108 CA 1
   ATOM 2169 C B PHE A 109 ? -10.13471 28.62474 14.49179 0.347 10.49366 C ? A ? 108 C 1
   ATOM 2170 O B PHE A 109 ? -11.29998 28.69225 14.01381 0.347 6.91404 O ? A ? 108 O 1
   ATOM 2171 CB B PHE A 109 ? -9.67941 27.61608 16.78368 0.347 10.35560 C ? A ? 108 CB 1
   ATOM 2172 CG B PHE A 109 ? -11.07544 27.87278 17.31326 0.347 6.97476 C ? A ? 108 CG 1
   ATOM 2173 CD1 B PHE A 109 ? -11.64145 29.14473 17.41239 0.347 7.31454 C ? A ? 108 CD1 1
   ATOM 2174 CD2 B PHE A 109 ? -11.79375 26.81479 17.79762 0.347 6.13362 C ? A ? 108 CD2 1
   ATOM 2175 CE1 B PHE A 109 ? -12.89611 29.30130 17.93412 0.347 8.81867 C ? A ? 108 CE1 1
   ATOM 2176 CE2 B PHE A 109 ? -13.10982 26.99497 18.33721 0.347 8.37489 C ? A ? 108 CE2 1
   ATOM 2177 CZ B PHE A 109 ? -13.63769 28.26414 18.35642 0.347 8.89121 C ? A ? 108 CZ 1
   ATOM 2178 H B PHE A 109 ? -7.65896 27.18830 15.53560 0.347 11.27327 H ? A ? 108 H 1
   ATOM 2179 HA B PHE A 109 ? -10.16629 26.63837 15.00957 0.347 12.06990 H ? A ? 108 HA 1
   ATOM 2180 HB2 B PHE A 109 ? -9.33886 26.82317 17.22665 0.347 12.42766 H ? A ? 108 HB2 1
   ATOM 2181 HB3 B PHE A 109 ? -9.13311 28.38431 17.01233 0.347 12.42766 H ? A ? 108 HB3 1
   ATOM 2182 HD1 B PHE A 109 ? -11.16391 29.88833 17.12272 0.347 8.77839 H ? A ? 108 HD1 1
   ATOM 2183 HD2 B PHE A 109 ? -11.42176 25.96269 17.77665 0.347 7.36128 H ? A ? 108 HD2 1
   ATOM 2184 HE1 B PHE A 109 ? -13.24939 30.15914 17.99897 0.347 10.58334 H ? A ? 108 HE1 1
   ATOM 2185 HE2 B PHE A 109 ? -13.59383 26.27197 18.66569 0.347 10.05081 H ? A ? 108 HE2 1
   ATOM 2186 HZ B PHE A 109 ? -14.50526 28.40411 18.66077 0.347 10.67039 H ? A ? 108 HZ 1
   ATOM 2187 N A GLY A 110 ? -9.34474 29.57390 14.40504 0.653 11.29237 N ? A ? 109 N 1
   ATOM 2188 CA A GLY A 110 ? -9.77315 30.74689 13.65898 0.653 12.80167 C ? A ? 109 CA 1
   ATOM 2189 C A GLY A 110 ? -9.94155 30.48513 12.18196 0.653 11.54587 C ? A ? 109 C 1
   ATOM 2190 O A GLY A 110 ? -10.90732 30.96532 11.55746 0.653 11.36806 O ? A ? 109 O 1
   ATOM 2191 H A GLY A 110 ? -8.57967 29.66377 14.78739 0.653 13.55179 H ? A ? 109 H 1
   ATOM 2192 HA2 A GLY A 110 ? -10.62373 31.05350 14.01025 0.653 15.36294 H ? A ? 109 HA2 1
   ATOM 2193 HA3 A GLY A 110 ? -9.11441 31.45054 13.76781 0.653 15.36294 H ? A ? 109 HA3 1
   ATOM 2194 N B GLY A 110 ? -9.30988 29.64770 14.38087 0.347 11.30986 N ? A ? 109 N 1
   ATOM 2195 CA B GLY A 110 ? -9.73176 30.81319 13.63565 0.347 12.74152 C ? A ? 109 CA 1
   ATOM 2196 C B GLY A 110 ? -9.92930 30.51365 12.16859 0.347 11.46931 C ? A ? 109 C 1
   ATOM 2197 O B GLY A 110 ? -10.88802 30.98766 11.54635 0.347 11.35426 O ? A ? 109 O 1
   ATOM 2198 H B GLY A 110 ? -8.52029 29.69179 14.71880 0.347 13.57277 H ? A ? 109 H 1
   ATOM 2199 HA2 B GLY A 110 ? -10.57055 31.13969 13.99723 0.347 15.29077 H ? A ? 109 HA2 1
   ATOM 2200 HA3 B GLY A 110 ? -9.06025 31.50823 13.71862 0.347 15.29077 H ? A ? 109 HA3 1
   ATOM 2201 N . ASP A 111 ? -9.03317 29.72761 11.58672 1.000 12.13645 N ? A ? 110 N 1
   ATOM 2202 CA . ASP A 111 ? -9.16758 29.35749 10.18191 1.000 11.33099 C ? A ? 110 CA 1
   ATOM 2203 C . ASP A 111 ? -10.39268 28.48922 9.93138 1.000 10.77949 C ? A ? 110 C 1
   ATOM 2204 O . ASP A 111 ? -11.10398 28.67759 8.93586 1.000 10.84113 O ? A ? 110 O 1
   ATOM 2205 CB . ASP A 111 ? -7.87725 28.73772 9.63894 1.000 14.14857 C ? A ? 110 CB 1
   ATOM 2206 CG . ASP A 111 ? -6.71593 29.77135 9.62587 1.000 14.62414 C ? A ? 110 CG 1
   ATOM 2207 OD1 . ASP A 111 ? -6.97541 30.92509 9.50064 1.000 21.13925 O ? A ? 110 OD1 1
   ATOM 2208 OD2 . ASP A 111 ? -5.57213 29.29403 9.72558 1.000 18.50601 O ? A ? 110 OD2 1
   ATOM 2209 HA . ASP A 111 ? -9.30191 30.16997 9.66934 1.000 13.59813 H ? A ? 110 HA 1
   ATOM 2210 HB2 . ASP A 111 ? -7.61690 27.99198 10.20196 1.000 16.97922 H ? A ? 110 HB2 1
   ATOM 2211 HB3 . ASP A 111 ? -8.02490 28.43176 8.73038 1.000 16.97922 H ? A ? 110 HB3 1
   ATOM 2212 H A ASP A 111 ? -8.32994 29.41367 11.96950 0.653 14.56467 H ? A ? 110 H 1
   ATOM 2213 H B ASP A 111 ? -8.34252 29.39638 11.97773 0.347 14.56467 H ? A ? 110 H 1
   ATOM 2214 N . VAL A 112 ? -10.68094 27.54437 10.79125 1.000 10.06141 N ? A ? 111 N 1
   ATOM 2215 CA . VAL A 112 ? -11.91229 26.76019 10.68664 1.000 9.67533 C ? A ? 111 CA 1
   ATOM 2216 C . VAL A 112 ? -13.12705 27.66847 10.72807 1.000 10.42774 C ? A ? 111 C 1
   ATOM 2217 O . VAL A 112 ? -14.01978 27.58312 9.86137 1.000 9.75785 O ? A ? 111 O 1
   ATOM 2218 CB . VAL A 112 ? -11.98178 25.67542 11.77100 1.000 10.07001 C ? A ? 111 CB 1
   ATOM 2219 CG1 . VAL A 112 ? -13.41382 25.06934 11.81178 1.000 9.53586 C ? A ? 111 CG1 1
   ATOM 2220 CG2 . VAL A 112 ? -10.94095 24.60202 11.57457 1.000 10.38069 C ? A ? 111 CG2 1
   ATOM 2221 H . VAL A 112 ? -10.18323 27.32447 11.45723 1.000 12.07463 H ? A ? 111 H 1
   ATOM 2222 HA . VAL A 112 ? -11.90138 26.30914 9.82796 1.000 11.61134 H ? A ? 111 HA 1
   ATOM 2223 HB . VAL A 112 ? -11.78741 26.08566 12.62822 1.000 12.08495 H ? A ? 111 HB 1
   ATOM 2224 HG11 . VAL A 112 ? -13.39817 24.25753 12.34247 1.000 11.44397 H ? A ? 111 HG11 1
   ATOM 2225 HG12 . VAL A 112 ? -14.01838 25.71413 12.21137 1.000 11.44397 H ? A ? 111 HG12 1
   ATOM 2226 HG13 . VAL A 112 ? -13.69711 24.86723 10.90635 1.000 11.44397 H ? A ? 111 HG13 1
   ATOM 2227 HG21 . VAL A 112 ? -10.96250 23.99854 12.33368 1.000 12.45777 H ? A ? 111 HG21 1
   ATOM 2228 HG22 . VAL A 112 ? -11.13925 24.11527 10.75931 1.000 12.45777 H ? A ? 111 HG22 1
   ATOM 2229 HG23 . VAL A 112 ? -10.06721 25.01789 11.50731 1.000 12.45777 H ? A ? 111 HG23 1
   ATOM 2230 N . GLY A 113 ? -13.18204 28.54534 11.70640 1.000 10.17541 N ? A ? 112 N 1
   ATOM 2231 CA . GLY A 113 ? -14.32218 29.43218 11.81863 1.000 10.28294 C ? A ? 112 CA 1
   ATOM 2232 C . GLY A 113 ? -14.54249 30.26067 10.58184 1.000 10.64928 C ? A ? 112 C 1
   ATOM 2233 O . GLY A 113 ? -15.70202 30.48671 10.14184 1.000 11.19563 O ? A ? 112 O 1
   ATOM 2234 H . GLY A 113 ? -12.58151 28.64912 12.31319 1.000 12.21143 H ? A ? 112 H 1
   ATOM 2235 HA2 . GLY A 113 ? -15.12131 28.90597 11.97800 1.000 12.34046 H ? A ? 112 HA2 1
   ATOM 2236 HA3 . GLY A 113 ? -14.18590 30.03402 12.56703 1.000 12.34046 H ? A ? 112 HA3 1
   ATOM 2237 N . ALA A 114 ? -13.46070 30.78019 10.00393 1.000 10.82431 N ? A ? 113 N 1
   ATOM 2238 CA . ALA A 114 ? -13.57912 31.54473 8.76779 1.000 11.39876 C ? A ? 113 CA 1
   ATOM 2239 C . ALA A 114 ? -14.14781 30.68468 7.65682 1.000 9.98591 C ? A ? 113 C 1
   ATOM 2240 O . ALA A 114 ? -14.89585 31.18070 6.79951 1.000 11.46160 O ? A ? 113 O 1
   ATOM 2241 CB . ALA A 114 ? -12.22838 32.08082 8.35127 1.000 12.65989 C ? A ? 113 CB 1
   ATOM 2242 H . ALA A 114 ? -12.65803 30.70527 10.30345 1.000 12.99010 H ? A ? 113 H 1
   ATOM 2243 HA . ALA A 114 ? -14.17248 32.29599 8.92412 1.000 13.67946 H ? A ? 113 HA 1
   ATOM 2244 HB1 . ALA A 114 ? -12.33002 32.59167 7.53298 1.000 15.19281 H ? A ? 113 HB1 1
   ATOM 2245 HB2 . ALA A 114 ? -11.88372 32.65081 9.05640 1.000 15.19281 H ? A ? 113 HB2 1
   ATOM 2246 HB3 . ALA A 114 ? -11.62491 31.33593 8.20340 1.000 15.19281 H ? A ? 113 HB3 1
   ATOM 2247 N . SER A 115 ? -13.76940 29.41007 7.59452 1.000 9.84117 N ? A ? 114 N 1
   ATOM 2248 CA . SER A 115 ? -14.27448 28.50586 6.57282 1.000 9.80858 C ? A ? 114 CA 1
   ATOM 2249 C . SER A 115 ? -15.75051 28.21791 6.75527 1.000 9.76693 C ? A ? 114 C 1
   ATOM 2250 O . SER A 115 ? -16.48686 28.13343 5.75535 1.000 11.35590 O ? A ? 114 O 1
   ATOM 2251 CB . SER A 115 ? -13.36070 27.27208 6.50582 1.000 11.44791 C ? A ? 114 CB 1
   ATOM 2252 OG . SER A 115 ? -13.60919 26.34712 5.53746 1.000 16.41784 O ? A ? 114 OG 1
   ATOM 2253 H . SER A 115 ? -13.21496 29.04137 8.13882 1.000 11.81034 H ? A ? 114 H 1
   ATOM 2254 HA . SER A 115 ? -14.22899 28.90972 5.69206 1.000 11.77124 H ? A ? 114 HA 1
   ATOM 2255 HB2 . SER A 115 ? -12.45516 27.59257 6.37101 1.000 13.73843 H ? A ? 114 HB2 1
   ATOM 2256 HB3 . SER A 115 ? -13.42820 26.81817 7.36040 1.000 13.73843 H ? A ? 114 HB3 1
   ATOM 2257 HG . SER A 115 ? -13.00332 25.76531 5.53364 1.000 19.70235 H ? A ? 114 HG 1
   ATOM 2258 N . CYS A 116 ? -16.23538 28.06881 7.99286 1.000 10.28384 N ? A ? 115 N 1
   ATOM 2259 CA . CYS A 116 ? -17.67638 27.96061 8.19883 1.000 10.70405 C ? A ? 115 CA 1
   ATOM 2260 C . CYS A 116 ? -18.39069 29.15778 7.61723 1.000 11.49015 C ? A ? 115 C 1
   ATOM 2261 O . CYS A 116 ? -19.35881 29.03268 6.84042 1.000 11.95923 O ? A ? 115 O 1
   ATOM 2262 CB . CYS A 116 ? -18.01499 27.83594 9.69497 1.000 12.42679 C ? A ? 115 CB 1
   ATOM 2263 SG . CYS A 116 ? -17.10110 26.81593 10.82675 1.000 11.77646 S ? A ? 115 SG 1
   ATOM 2264 H . CYS A 116 ? -15.76144 28.02875 8.70936 1.000 12.34155 H ? A ? 115 H 1
   ATOM 2265 HA . CYS A 116 ? -17.98135 27.15414 7.75443 1.000 12.84579 H ? A ? 115 HA 1
   ATOM 2266 HB2 . CYS A 116 ? -17.96208 28.73208 10.06243 1.000 14.91309 H ? A ? 115 HB2 1
   ATOM 2267 HB3 . CYS A 116 ? -18.92786 27.51139 9.74213 1.000 14.91309 H ? A ? 115 HB3 1
   ATOM 2268 N . LYS A 117 ? -17.91345 30.35876 7.96275 1.000 11.34613 N ? A ? 116 N 1
   ATOM 2269 CA . LYS A 117 ? -18.57996 31.59905 7.54697 1.000 12.96600 C ? A ? 116 CA 1
   ATOM 2270 C . LYS A 117 ? -18.49940 31.76657 6.03214 1.000 13.88526 C ? A ? 116 C 1
   ATOM 2271 O . LYS A 117 ? -19.50392 32.20089 5.40692 1.000 14.34285 O ? A ? 116 O 1
   ATOM 2272 CB . LYS A 117 ? -17.88555 32.76391 8.22866 1.000 14.44870 C ? A ? 116 CB 1
   ATOM 2273 CG . LYS A 117 ? -18.53831 34.09427 7.89349 1.000 20.09780 C ? A ? 116 CG 1
   ATOM 2274 CD . LYS A 117 ? -17.87513 35.23257 8.62602 1.000 28.61847 C ? A ? 116 CD 1
   ATOM 2275 CE . LYS A 117 ? -18.62910 36.55435 8.46963 1.000 41.71264 C ? A ? 116 CE 1
   ATOM 2276 NZ . LYS A 117 ? -18.81629 36.94631 7.05207 1.000 49.57900 N ? A ? 116 NZ 1
   ATOM 2277 H . LYS A 117 ? -17.20679 30.48428 8.43655 1.000 13.61630 H ? A ? 116 H 1
   ATOM 2278 HA . LYS A 117 ? -19.51446 31.58025 7.80630 1.000 15.56014 H ? A ? 116 HA 1
   ATOM 2279 HB2 . LYS A 117 ? -17.92599 32.64006 9.18987 1.000 17.33938 H ? A ? 116 HB2 1
   ATOM 2280 HB3 . LYS A 117 ? -16.96101 32.79793 7.93715 1.000 17.33938 H ? A ? 116 HB3 1
   ATOM 2281 HG2 . LYS A 117 ? -18.46214 34.25890 6.94060 1.000 24.11830 H ? A ? 116 HG2 1
   ATOM 2282 HG3 . LYS A 117 ? -19.47286 34.06818 8.15200 1.000 24.11830 H ? A ? 116 HG3 1
   ATOM 2283 HD2 . LYS A 117 ? -17.83537 35.02023 9.57166 1.000 34.34310 H ? A ? 116 HD2 1
   ATOM 2284 HD3 . LYS A 117 ? -16.97901 35.35537 8.27560 1.000 34.34310 H ? A ? 116 HD3 1
   ATOM 2285 HE2 . LYS A 117 ? -19.50629 36.46753 8.87449 1.000 50.05610 H ? A ? 116 HE2 1
   ATOM 2286 HE3 . LYS A 117 ? -18.12814 37.25797 8.91106 1.000 50.05610 H ? A ? 116 HE3 1
   ATOM 2287 HZ1 . LYS A 117 ? -19.19804 37.74896 7.00604 1.000 59.49574 H ? A ? 116 HZ1 1
   ATOM 2288 HZ2 . LYS A 117 ? -18.02899 36.97675 6.63815 1.000 59.49574 H ? A ? 116 HZ2 1
   ATOM 2289 HZ3 . LYS A 117 ? -19.33715 36.35463 6.63888 1.000 59.49574 H ? A ? 116 HZ3 1
   ATOM 2290 N . ALA A 118 ? -17.41834 31.39876 5.40507 1.000 12.31970 N ? A ? 117 N 1
   ATOM 2291 CA . ALA A 118 ? -17.28154 31.48994 3.94051 1.000 15.30787 C ? A ? 117 CA 1
   ATOM 2292 C . ALA A 118 ? -18.34383 30.63990 3.24591 1.000 12.52545 C ? A ? 117 C 1
   ATOM 2293 O . ALA A 118 ? -18.95918 31.08609 2.24147 1.000 13.42961 O ? A ? 117 O 1
   ATOM 2294 CB . ALA A 118 ? -15.87683 31.07558 3.49940 1.000 15.11555 C ? A ? 117 CB 1
   ATOM 2295 H . ALA A 118 ? -16.71945 31.08204 5.79346 1.000 14.78458 H ? A ? 117 H 1
   ATOM 2296 HA . ALA A 118 ? -17.40366 32.41400 3.67198 1.000 18.37039 H ? A ? 117 HA 1
   ATOM 2297 HB1 . ALA A 118 ? -15.83443 31.08522 2.53037 1.000 18.13960 H ? A ? 117 HB1 1
   ATOM 2298 HB2 . ALA A 118 ? -15.23324 31.70256 3.86490 1.000 18.13960 H ? A ? 117 HB2 1
   ATOM 2299 HB3 . ALA A 118 ? -15.69274 30.18232 3.82968 1.000 18.13960 H ? A ? 117 HB3 1
   ATOM 2300 N . CYS A 119 ? -18.57369 29.41263 3.72933 1.000 11.49790 N ? A ? 118 N 1
   ATOM 2301 CA . CYS A 119 ? -19.62890 28.63523 3.13442 1.000 10.86001 C ? A ? 118 CA 1
   ATOM 2302 C . CYS A 119 ? -20.98244 29.24626 3.40115 1.000 11.69679 C ? A ? 118 C 1
   ATOM 2303 O . CYS A 119 ? -21.81246 29.35871 2.44057 1.000 11.77606 O ? A ? 118 O 1
   ATOM 2304 CB . CYS A 119 ? -19.56123 27.20306 3.61976 1.000 10.59741 C ? A ? 118 CB 1
   ATOM 2305 SG . CYS A 119 ? -20.75742 26.25105 2.62452 1.000 9.79271 S ? A ? 118 SG 1
   ATOM 2306 H . CYS A 119 ? -18.14460 29.03616 4.37256 1.000 13.79842 H ? A ? 118 H 1
   ATOM 2307 HA . CYS A 119 ? -19.50247 28.62298 2.17278 1.000 13.03295 H ? A ? 118 HA 1
   ATOM 2308 HB2 . CYS A 119 ? -18.67001 26.84334 3.48847 1.000 12.71783 H ? A ? 118 HB2 1
   ATOM 2309 HB3 . CYS A 119 ? -19.80484 27.15192 4.55728 1.000 12.71783 H ? A ? 118 HB3 1
   ATOM 2310 N . HIS A 120 ? -21.27434 29.67187 4.60793 1.000 11.94353 N ? A ? 119 N 1
   ATOM 2311 CA . HIS A 120 ? -22.58366 30.27037 4.89227 1.000 12.32005 C ? A ? 119 CA 1
   ATOM 2312 C . HIS A 120 ? -22.85914 31.50421 4.02045 1.000 12.94137 C ? A ? 119 C 1
   ATOM 2313 O . HIS A 120 ? -23.99400 31.69626 3.50460 1.000 14.00640 O ? A ? 119 O 1
   ATOM 2314 CB . HIS A 120 ? -22.68699 30.71279 6.33019 1.000 13.04433 C ? A ? 119 CB 1
   ATOM 2315 CG . HIS A 120 ? -22.66873 29.55906 7.28268 1.000 10.83666 C ? A ? 119 CG 1
   ATOM 2316 ND1 . HIS A 120 ? -22.15943 29.62428 8.53763 1.000 12.72643 N ? A ? 119 ND1 1
   ATOM 2317 CD2 . HIS A 120 ? -22.97529 28.23431 7.08593 1.000 10.35091 C ? A ? 119 CD2 1
   ATOM 2318 CE1 . HIS A 120 ? -22.23564 28.41305 9.09057 1.000 11.26642 C ? A ? 119 CE1 1
   ATOM 2319 NE2 . HIS A 120 ? -22.74481 27.56374 8.22281 1.000 9.16664 N ? A ? 119 NE2 1
   ATOM 2320 H . HIS A 120 ? -20.74531 29.63238 5.28482 1.000 14.33317 H ? A ? 119 H 1
   ATOM 2321 HA . HIS A 120 ? -23.23910 29.57842 4.71196 1.000 14.78500 H ? A ? 119 HA 1
   ATOM 2322 HB2 . HIS A 120 ? -21.93559 31.28937 6.53963 1.000 15.65414 H ? A ? 119 HB2 1
   ATOM 2323 HB3 . HIS A 120 ? -23.51965 31.19444 6.45501 1.000 15.65414 H ? A ? 119 HB3 1
   ATOM 2324 HD1 . HIS A 120 ? -21.84064 30.32877 8.91402 1.000 15.27265 H ? A ? 119 HD1 1
   ATOM 2325 HD2 . HIS A 120 ? -23.29102 27.86376 6.29352 1.000 12.42203 H ? A ? 119 HD2 1
   ATOM 2326 HE1 . HIS A 120 ? -21.96993 28.20089 9.95619 1.000 13.52064 H ? A ? 119 HE1 1
   ATOM 2327 N . ASP A 121 ? -21.84060 32.32020 3.78145 1.000 13.02029 N ? A ? 120 N 1
   ATOM 2328 CA . ASP A 121 ? -22.06718 33.54742 3.02110 1.000 15.62660 C ? A ? 120 CA 1
   ATOM 2329 C . ASP A 121 ? -22.49582 33.21476 1.60756 1.000 16.52845 C ? A ? 120 C 1
   ATOM 2330 O . ASP A 121 ? -23.32971 33.97951 1.02056 1.000 19.46924 O ? A ? 120 O 1
   ATOM 2331 CB . ASP A 121 ? -20.81660 34.41991 3.06606 1.000 17.33247 C ? A ? 120 CB 1
   ATOM 2332 CG . ASP A 121 ? -20.57718 35.10587 4.39773 1.000 19.65288 C ? A ? 120 CG 1
   ATOM 2333 OD1 . ASP A 121 ? -21.43691 35.17483 5.28445 1.000 22.34406 O ? A ? 120 OD1 1
   ATOM 2334 OD2 . ASP A 121 ? -19.41624 35.61177 4.51391 1.000 24.29688 O ? A ? 120 OD2 1
   ATOM 2335 H . ASP A 121 ? -21.03013 32.19325 4.03955 1.000 15.62529 H ? A ? 120 H 1
   ATOM 2336 HA . ASP A 121 ? -22.77717 34.07389 3.42065 1.000 18.75286 H ? A ? 120 HA 1
   ATOM 2337 HB2 . ASP A 121 ? -20.04409 33.86347 2.88035 1.000 20.79991 H ? A ? 120 HB2 1
   ATOM 2338 HB3 . ASP A 121 ? -20.89728 35.11160 2.39081 1.000 20.79991 H ? A ? 120 HB3 1
   ATOM 2339 N . ALA A 122 ? -21.98554 32.15084 1.01288 1.000 13.53928 N ? A ? 121 N 1
   ATOM 2340 CA . ALA A 122 ? -22.35240 31.74330 -0.32364 1.000 15.63866 C ? A ? 121 CA 1
   ATOM 2341 C . ALA A 122 ? -23.59936 30.85819 -0.41185 1.000 14.61658 C ? A ? 121 C 1
   ATOM 2342 O . ALA A 122 ? -24.28153 30.87882 -1.43724 1.000 15.34834 O ? A ? 121 O 1
   ATOM 2343 CB . ALA A 122 ? -21.21026 31.03302 -1.00138 1.000 16.48440 C ? A ? 121 CB 1
   ATOM 2344 H . ALA A 122 ? -21.40465 31.63181 1.37725 1.000 16.24807 H ? A ? 121 H 1
   ATOM 2345 HA . ALA A 122 ? -22.54715 32.55825 -0.81234 1.000 18.76734 H ? A ? 121 HA 1
   ATOM 2346 HB1 . ALA A 122 ? -21.48196 30.78216 -1.89813 1.000 19.78221 H ? A ? 121 HB1 1
   ATOM 2347 HB2 . ALA A 122 ? -20.44670 31.62987 -1.04189 1.000 19.78221 H ? A ? 121 HB2 1
   ATOM 2348 HB3 . ALA A 122 ? -20.98367 30.24023 -0.49046 1.000 19.78221 H ? A ? 121 HB3 1
   ATOM 2349 N . TYR A 123 ? -23.90021 30.02603 0.61517 1.000 12.75612 N ? A ? 122 N 1
   ATOM 2350 CA . TYR A 123 ? -24.73863 28.85016 0.42274 1.000 13.24652 C ? A ? 122 CA 1
   ATOM 2351 C . TYR A 123 ? -25.81355 28.72612 1.44858 1.000 11.57436 C ? A ? 122 C 1
   ATOM 2352 O . TYR A 123 ? -26.61716 27.78129 1.30933 1.000 12.58417 O ? A ? 122 O 1
   ATOM 2353 CB . TYR A 123 ? -23.87059 27.58039 0.34263 1.000 11.76782 C ? A ? 122 CB 1
   ATOM 2354 CG . TYR A 123 ? -23.01958 27.56046 -0.86360 1.000 12.94896 C ? A ? 122 CG 1
   ATOM 2355 CD1 . TYR A 123 ? -23.56312 27.56843 -2.13059 1.000 14.80453 C ? A ? 122 CD1 1
   ATOM 2356 CD2 . TYR A 123 ? -21.63276 27.50195 -0.78649 1.000 14.60730 C ? A ? 122 CD2 1
   ATOM 2357 CE1 . TYR A 123 ? -22.76502 27.50247 -3.29117 1.000 15.02070 C ? A ? 122 CE1 1
   ATOM 2358 CE2 . TYR A 123 ? -20.79637 27.39411 -1.91173 1.000 15.99347 C ? A ? 122 CE2 1
   ATOM 2359 CZ . TYR A 123 ? -21.36773 27.40070 -3.14350 1.000 17.86773 C ? A ? 122 CZ 1
   ATOM 2360 OH . TYR A 123 ? -20.55206 27.36467 -4.29491 1.000 23.39043 O ? A ? 122 OH 1
   ATOM 2361 H . TYR A 123 ? -23.62507 30.13323 1.42289 1.000 15.30829 H ? A ? 122 H 1
   ATOM 2362 HA . TYR A 123 ? -25.19256 28.89739 -0.43319 1.000 15.89677 H ? A ? 122 HA 1
   ATOM 2363 HB2 . TYR A 123 ? -23.29309 27.54071 1.12097 1.000 14.12232 H ? A ? 122 HB2 1
   ATOM 2364 HB3 . TYR A 123 ? -24.44834 26.80161 0.31814 1.000 14.12232 H ? A ? 122 HB3 1
   ATOM 2365 HD1 . TYR A 123 ? -24.48714 27.61900 -2.22288 1.000 17.76637 H ? A ? 122 HD1 1
   ATOM 2366 HD2 . TYR A 123 ? -21.23694 27.53595 0.05439 1.000 17.52969 H ? A ? 122 HD2 1
   ATOM 2367 HE1 . TYR A 123 ? -23.15282 27.52565 -4.13614 1.000 18.02577 H ? A ? 122 HE1 1
   ATOM 2368 HE2 . TYR A 123 ? -19.87441 27.32008 -1.81465 1.000 19.19310 H ? A ? 122 HE2 1
   ATOM 2369 HH . TYR A 123 ? -19.74256 27.33413 -4.07270 1.000 28.06946 H ? A ? 122 HH 1
   ATOM 2370 N . ALA A 124 ? -25.86239 29.52430 2.44812 1.000 12.90959 N ? A ? 123 N 1
   ATOM 2371 CA . ALA A 124 ? -26.94174 29.41811 3.41381 1.000 13.25974 C ? A ? 123 CA 1
   ATOM 2372 C . ALA A 124 ? -27.86032 30.66699 3.35405 1.000 15.93763 C ? A ? 123 C 1
   ATOM 2373 O . ALA A 124 ? -27.38354 31.80227 3.27078 1.000 17.87260 O ? A ? 123 O 1
   ATOM 2374 CB . ALA A 124 ? -26.39524 29.27205 4.83513 1.000 14.75432 C ? A ? 123 CB 1
   ATOM 2375 H . ALA A 124 ? -25.28983 30.14566 2.60844 1.000 15.49245 H ? A ? 123 H 1
   ATOM 2376 HA . ALA A 124 ? -27.47434 28.63753 3.19492 1.000 15.91262 H ? A ? 123 HA 1
   ATOM 2377 HB1 . ALA A 124 ? -27.13844 29.24295 5.45779 1.000 17.70612 H ? A ? 123 HB1 1
   ATOM 2378 HB2 . ALA A 124 ? -25.88248 28.45072 4.89346 1.000 17.70612 H ? A ? 123 HB2 1
   ATOM 2379 HB3 . ALA A 124 ? -25.82634 30.03202 5.03438 1.000 17.70612 H ? A ? 123 HB3 1
   ATOM 2380 N . LYS A 125 ? -29.18364 30.48969 3.39628 1.000 16.13813 N ? A ? 124 N 1
   ATOM 2381 CA . LYS A 125 ? -30.11493 31.62023 3.32567 1.000 16.74630 C ? A ? 124 CA 1
   ATOM 2382 C . LYS A 125 ? -30.09223 32.39478 4.63892 1.000 28.67798 C ? A ? 124 C 1
   ATOM 2383 O . LYS A 125 ? -30.05512 31.82108 5.74188 1.000 25.82231 O ? A ? 124 O 1
   ATOM 2384 CB . LYS A 125 ? -31.54744 31.10932 3.09401 1.000 18.70699 C ? A ? 124 CB 1
   ATOM 2385 CG . LYS A 125 ? -31.72664 30.36950 1.74565 1.000 16.74075 C ? A ? 124 CG 1
   ATOM 2386 CD . LYS A 125 ? -33.18745 29.96485 1.47951 1.000 17.63043 C ? A ? 124 CD 1
   ATOM 2387 CE . LYS A 125 ? -33.35726 29.36295 0.17121 1.000 16.78114 C ? A ? 124 CE 1
   ATOM 2388 NZ . LYS A 125 ? -34.76965 28.97596 -0.24535 1.000 14.51987 N ? A ? 124 NZ 1
   ATOM 2389 H . LYS A 125 ? -29.56922 29.72410 3.46563 1.000 19.36669 H ? A ? 124 H 1
   ATOM 2390 HA . LYS A 125 ? -29.85742 32.20312 2.59435 1.000 20.09650 H ? A ? 124 HA 1
   ATOM 2391 HB2 . LYS A 125 ? -31.77837 30.49158 3.80533 1.000 22.44932 H ? A ? 124 HB2 1
   ATOM 2392 HB3 . LYS A 125 ? -32.15463 31.86573 3.10137 1.000 22.44932 H ? A ? 124 HB3 1
   ATOM 2393 HG2 . LYS A 125 ? -31.44079 30.95184 1.02449 1.000 20.08984 H ? A ? 124 HG2 1
   ATOM 2394 HG3 . LYS A 125 ? -31.18869 29.56237 1.75335 1.000 20.08984 H ? A ? 124 HG3 1
   ATOM 2395 HD2 . LYS A 125 ? -33.46648 29.31944 2.14771 1.000 21.15746 H ? A ? 124 HD2 1
   ATOM 2396 HD3 . LYS A 125 ? -33.75025 30.75359 1.52474 1.000 21.15746 H ? A ? 124 HD3 1
   ATOM 2397 HE2 . LYS A 125 ? -33.03332 29.99318 -0.49119 1.000 20.13830 H ? A ? 124 HE2 1
   ATOM 2398 HE3 . LYS A 125 ? -32.82602 28.55178 0.14504 1.000 20.13830 H ? A ? 124 HE3 1
   ATOM 2399 HZ1 . LYS A 125 ? -34.78448 28.76238 -1.10922 1.000 17.42478 H ? A ? 124 HZ1 1
   ATOM 2400 HZ2 . LYS A 125 ? -35.04624 28.27620 0.22997 1.000 17.42478 H ? A ? 124 HZ2 1
   ATOM 2401 HZ3 . LYS A 125 ? -35.32534 29.65718 -0.10666 1.000 17.42478 H ? A ? 124 HZ3 1
   ATOM 2402 N . LYS A 126 ? -30.15885 33.71124 4.53164 1.000 57.61083 N ? A ? 125 N 1
   ATOM 2403 CA . LYS A 126 ? -30.14333 34.56145 5.73480 1.000 75.62032 C ? A ? 125 CA 1
   ATOM 2404 C . LYS A 126 ? -31.45699 34.43037 6.53846 1.000 60.71803 C ? A ? 125 C 1
   ATOM 2405 O . LYS A 126 ? -31.52853 33.75195 7.56391 1.000 58.44470 O ? A ? 125 O 1
   ATOM 2406 CB . LYS A 126 ? -29.90815 36.02598 5.32510 1.000 75.55970 C ? A ? 125 CB 1
   ATOM 2407 CG . LYS A 126 ? -28.56843 36.29414 4.64023 1.000 77.02580 C ? A ? 125 CG 1
   ATOM 2408 CD . LYS A 126 ? -27.42306 36.34634 5.65651 1.000 79.70619 C ? A ? 125 CD 1
   ATOM 2409 CE . LYS A 126 ? -26.11013 36.78924 4.99189 1.000 82.21194 C ? A ? 125 CE 1
   ATOM 2410 NZ . LYS A 126 ? -24.99846 36.95754 5.99415 1.000 79.46912 N ? A ? 125 NZ 1
   ATOM 2411 H . LYS A 126 ? -30.21317 34.14066 3.78852 1.000 69.13393 H ? A ? 125 H 1
   ATOM 2412 HA . LYS A 126 ? -29.42163 34.28156 6.31936 1.000 90.74532 H ? A ? 125 HA 1
   ATOM 2413 HB2 . LYS A 126 ? -30.60877 36.28899 4.70796 1.000 90.67257 H ? A ? 125 HB2 1
   ATOM 2414 HB3 . LYS A 126 ? -29.94368 36.57778 6.12206 1.000 90.67257 H ? A ? 125 HB3 1
   ATOM 2415 HG2 . LYS A 126 ? -28.38271 35.58330 4.00689 1.000 92.43190 H ? A ? 125 HG2 1
   ATOM 2416 HG3 . LYS A 126 ? -28.60734 37.14697 4.17973 1.000 92.43190 H ? A ? 125 HG3 1
   ATOM 2417 HD2 . LYS A 126 ? -27.64151 36.98167 6.35618 1.000 95.64836 H ? A ? 125 HD2 1
   ATOM 2418 HD3 . LYS A 126 ? -27.29054 35.46465 6.03855 1.000 95.64836 H ? A ? 125 HD3 1
   ATOM 2419 HE2 . LYS A 126 ? -25.83705 36.11856 4.34651 1.000 98.65527 H ? A ? 125 HE2 1
   ATOM 2420 HE3 . LYS A 126 ? -26.24864 37.64027 4.54752 1.000 98.65527 H ? A ? 125 HE3 1
   ATOM 2421 HZ1 . LYS A 126 ? -24.24430 37.18082 5.57762 1.000 95.36389 H ? A ? 125 HZ1 1
   ATOM 2422 HZ2 . LYS A 126 ? -25.20752 37.59775 6.57598 1.000 95.36389 H ? A ? 125 HZ2 1
   ATOM 2423 HZ3 . LYS A 126 ? -24.86957 36.19608 6.43650 1.000 95.36389 H ? A ? 125 HZ3 1
   HETATM 2424 N . PCA A 1 ? -29.91949 7.28198 2.09404 1.000 9.80569 N ? A ? 126 N 1
   HETATM 2425 CA . PCA A 1 ? -30.53955 6.78115 3.30472 1.000 10.72173 C ? A ? 126 CA 1
   HETATM 2426 C . PCA A 1 ? -31.79728 7.50829 3.67181 1.000 10.04767 C ? A ? 126 C 1
   HETATM 2427 O . PCA A 1 ? -32.32277 7.40376 4.77773 1.000 12.79630 O ? A ? 126 O 1
   HETATM 2428 CB . PCA A 1 ? -29.45613 6.97783 4.35462 1.000 11.22262 C ? A ? 126 CB 1
   HETATM 2429 CG . PCA A 1 ? -28.61725 8.11809 3.84715 1.000 9.78374 C ? A ? 126 CG 1
   HETATM 2430 CD . PCA A 1 ? -28.88522 8.10245 2.34792 1.000 9.08858 C ? A ? 126 CD 1
   HETATM 2431 OE . PCA A 1 ? -28.26256 8.71167 1.55194 1.000 9.74044 O ? A ? 126 OE 1
   HETATM 2432 H2 . PCA A 1 ? -29.17524 6.86407 1.86112 1.000 11.76777 H ? A ? 126 H2 1
   HETATM 2433 HA . PCA A 1 ? -30.82914 5.85874 3.22592 1.000 12.86701 H ? A ? 126 HA 1
   HETATM 2434 HB2 . PCA A 1 ? -29.85475 7.18067 5.21535 1.000 13.46808 H ? A ? 126 HB2 1
   HETATM 2435 HB3 . PCA A 1 ? -28.93491 6.16610 4.45621 1.000 13.46808 H ? A ? 126 HB3 1
   HETATM 2436 HG2 . PCA A 1 ? -28.86917 8.98025 4.21339 1.000 11.74143 H ? A ? 126 HG2 1
   HETATM 2437 HG3 . PCA A 1 ? -27.66751 8.00514 4.00879 1.000 11.74143 H ? A ? 126 HG3 1
   HETATM 2438 NB . HEC A 128 ? -21.56192 25.23676 9.82246 1.000 9.10231 N ? B ? . NB 1
   HETATM 2439 ND . HEC A 128 ? -24.53100 25.22406 7.05754 1.000 8.91632 N ? B ? . ND 1
   HETATM 2440 C1A . HEC A 128 ? -25.79886 25.34931 9.75098 1.000 8.63008 C ? B ? . C1A 1
   HETATM 2441 C1B . HEC A 128 ? -21.66268 25.48784 11.15612 1.000 9.66695 C ? B ? . C1B 1
   HETATM 2442 C1C . HEC A 128 ? -20.30857 24.81518 7.10557 1.000 8.19324 C ? B ? . C1C 1
   HETATM 2443 C1D . HEC A 128 ? -24.38920 25.10235 5.67883 1.000 8.76335 C ? B ? . C1D 1
   HETATM 2444 C2A . HEC A 128 ? -26.40123 25.43178 11.07713 1.000 9.94890 C ? B ? . C2A 1
   HETATM 2445 C2B . HEC A 128 ? -20.37245 25.53031 11.76450 1.000 10.20090 C ? B ? . C2B 1
   HETATM 2446 C2C . HEC A 128 ? -19.67205 24.63714 5.80199 1.000 8.36685 C ? B ? . C2C 1
   HETATM 2447 C2D . HEC A 128 ? -25.67064 25.10430 5.02725 1.000 7.75991 C ? B ? . C2D 1
   HETATM 2448 C3A . HEC A 128 ? -25.40799 25.48976 11.98954 1.000 9.12480 C ? B ? . C3A 1
   HETATM 2449 C3B . HEC A 128 ? -19.49911 25.25516 10.79083 1.000 9.07603 C ? B ? . C3B 1
   HETATM 2450 C3C . HEC A 128 ? -20.64133 24.68055 4.88448 1.000 8.31213 C ? B ? . C3C 1
   HETATM 2451 C3D . HEC A 128 ? -26.60170 25.15195 6.03474 1.000 8.94380 C ? B ? . C3D 1
   HETATM 2452 C4A . HEC A 128 ? -24.17362 25.51786 11.25410 1.000 10.44033 C ? B ? . C4A 1
   HETATM 2453 C4B . HEC A 128 ? -20.19640 25.13973 9.56868 1.000 8.47843 C ? B ? . C4B 1
   HETATM 2454 C4C . HEC A 128 ? -21.89428 24.84638 5.59377 1.000 8.54775 C ? B ? . C4C 1
   HETATM 2455 C4D . HEC A 128 ? -25.89805 25.29082 7.27658 1.000 8.41974 C ? B ? . C4D 1
   HETATM 2456 CAA . HEC A 128 ? -27.89196 25.35942 11.35678 1.000 10.03634 C ? B ? . CAA 1
   HETATM 2457 CAB . HEC A 128 ? -17.96093 25.23999 10.85970 1.000 9.82185 C ? B ? . CAB 1
   HETATM 2458 CAC . HEC A 128 ? -20.56885 24.62214 3.37421 1.000 9.37195 C ? B ? . CAC 1
   HETATM 2459 CAD . HEC A 128 ? -28.13412 25.08427 5.86476 1.000 9.66325 C ? B ? . CAD 1
   HETATM 2460 CBA . HEC A 128 ? -28.36630 23.94969 11.38275 1.000 10.14558 C ? B ? . CBA 1
   HETATM 2461 CBB . HEC A 128 ? -17.39475 24.49107 12.10793 1.000 9.87136 C ? B ? . CBB 1
   HETATM 2462 CBC . HEC A 128 ? -19.40676 23.80731 2.76174 1.000 10.30314 C ? B ? . CBC 1
   HETATM 2463 CBD . HEC A 128 ? -28.65249 23.64215 5.98907 1.000 8.41285 C ? B ? . CBD 1
   HETATM 2464 CGA . HEC A 128 ? -29.83563 23.87173 11.79246 1.000 12.56902 C ? B ? . CGA 1
   HETATM 2465 CGD . HEC A 128 ? -30.13097 23.49327 5.74225 1.000 8.74409 C ? B ? . CGD 1
   HETATM 2466 CHA . HEC A 128 ? -26.44352 25.35576 8.53336 1.000 8.69047 C ? B ? . CHA 1
   HETATM 2467 CHB . HEC A 128 ? -22.86549 25.58333 11.81944 1.000 8.87913 C ? B ? . CHB 1
   HETATM 2468 CHC . HEC A 128 ? -19.63759 24.86399 8.31551 1.000 9.07846 C ? B ? . CHC 1
   HETATM 2469 CHD . HEC A 128 ? -23.19892 24.96112 5.02024 1.000 8.48686 C ? B ? . CHD 1
   HETATM 2470 CMA . HEC A 128 ? -25.50344 25.54292 13.50294 1.000 11.46714 C ? B ? . CMA 1
   HETATM 2471 CMB . HEC A 128 ? -20.14046 25.80812 13.27547 1.000 12.59158 C ? B ? . CMB 1
   HETATM 2472 CMC . HEC A 128 ? -18.16113 24.46821 5.63905 1.000 9.29682 C ? B ? . CMC 1
   HETATM 2473 CMD . HEC A 128 ? -25.92519 25.01362 3.54470 1.000 11.35490 C ? B ? . CMD 1
   HETATM 2474 NA . HEC A 128 ? -24.42952 25.41322 9.90194 1.000 8.29816 N ? B ? . NA 1
   HETATM 2475 NC . HEC A 128 ? -21.66818 24.92668 6.92604 1.000 8.51183 N ? B ? . NC 1
   HETATM 2476 O1A . HEC A 128 ? -30.75266 24.17449 10.99014 1.000 12.02681 O ? B ? . O1A 1
   HETATM 2477 O1D . HEC A 128 ? -30.52320 22.72599 4.89836 1.000 9.61524 O ? B ? . O1D 1
   HETATM 2478 O2A . HEC A 128 ? -30.12368 23.47694 12.96122 1.000 16.80039 O ? B ? . O2A 1
   HETATM 2479 O2D . HEC A 128 ? -30.87801 24.25030 6.45727 1.000 9.91845 O ? B ? . O2D 1
   HETATM 2480 FE . HEC A 128 ? -23.02146 25.44698 8.41078 1.000 8.57746 Fe ? B ? . FE 1
   HETATM 2481 O1 . SO4 A 129 ? -20.26261 22.51440 -13.26080 0.807 62.80820 O ? C ? . O1 1
   HETATM 2482 O2 . SO4 A 129 ? -22.29029 22.38467 -11.82120 0.807 71.32864 O ? C ? . O2 1
   HETATM 2483 O3 . SO4 A 129 ? -20.24569 21.29102 -11.31002 0.807 53.82039 O ? C ? . O3 1
   HETATM 2484 O4 . SO4 A 129 ? -20.29065 23.63287 -11.09269 0.807 56.13601 O ? C ? . O4 1
   HETATM 2485 S . SO4 A 129 ? -20.80355 22.49700 -11.89005 0.807 76.48677 S ? C ? . S 1
   HETATM 2486 O . HOH A 2001 ? -26.23944 10.35902 2.33902 0.897 11.74223 O ? D ? . O 1
   HETATM 2487 O . HOH A 2002 ? -28.90139 10.77498 -0.16186 0.799 12.57829 O ? D ? . O 1
   HETATM 2488 O . HOH A 2003 ? -35.11286 5.75106 5.28992 0.845 18.08634 O ? D ? . O 1
   HETATM 2489 O . HOH A 2004 ? -32.54491 5.09145 6.44276 0.985 36.63624 O ? D ? . O 1
   HETATM 2490 O . HOH A 2005 ? -31.02764 12.27773 -0.94618 0.873 15.91342 O ? D ? . O 1
   HETATM 2492 O . HOH A 2009 ? -33.72802 9.32245 7.83917 0.977 18.83526 O ? D ? . O 1
   HETATM 2493 O . HOH A 2010 ? -37.06783 4.65765 1.22186 0.880 23.88224 O ? D ? . O 1
   HETATM 2495 O . HOH A 2012 ? -40.63327 12.95668 -1.66721 0.991 21.87896 O ? D ? . O 1
   HETATM 2496 O . HOH A 2014 ? -35.55270 8.40012 5.85209 0.877 14.01248 O ? D ? . O 1
   HETATM 2498 O . HOH A 2018 ? -41.39187 8.28594 4.13642 0.853 26.87543 O ? D ? . O 1
   HETATM 2499 O . HOH A 2022 ? -43.18091 11.89651 -1.74488 0.913 24.69740 O ? D ? . O 1
   HETATM 2501 O . HOH A 2027 ? -4.15522 10.90424 27.30835 0.777 23.76800 O ? D ? . O 1
   HETATM 2502 O . HOH A 2028 ? -36.96825 18.52955 7.29888 0.666 18.05713 O ? D ? . O 1
   HETATM 2504 O . HOH A 2030 ? -41.09275 15.49861 -0.29771 0.828 16.21734 O ? D ? . O 1
   HETATM 2505 O . HOH A 2031 ? -39.84046 19.57234 0.75562 0.833 15.10902 O ? D ? . O 1
   HETATM 2506 O . HOH A 2032 ? -26.70775 25.34645 16.88724 0.905 20.11666 O ? D ? . O 1
   HETATM 2507 O . HOH A 2033 ? -32.90825 11.81151 8.57522 0.760 18.10383 O ? D ? . O 1
   HETATM 2508 O . HOH A 2034 ? -34.50463 12.21409 10.76012 0.283 13.49685 O ? D ? . O 1
   HETATM 2509 O . HOH A 2035 ? -39.93067 10.01558 5.52367 0.999 25.80429 O ? D ? . O 1
   HETATM 2510 O . HOH A 2036 ? -39.55334 13.45415 7.48701 0.854 30.84867 O ? D ? . O 1
   HETATM 2513 O A HOH A 2040 ? -25.76271 29.81622 11.35096 0.469 33.17826 O ? D ? . O 1
   HETATM 2514 O B HOH A 2040 ? -25.51015 29.27036 11.94388 0.531 29.21252 O ? D ? . O 1
   HETATM 2515 O . HOH A 2042 ? -20.60302 28.56442 21.31011 1.000 41.10880 O ? D ? . O 1
   HETATM 2516 O . HOH A 2043 ? -15.04123 25.66626 28.16210 1.000 11.69814 O ? D ? . O 1
   HETATM 2517 O . HOH A 2045 ? -35.82126 12.48525 15.00246 0.883 16.57174 O ? D ? . O 1
   HETATM 2518 O . HOH A 2048 ? -15.66817 31.18581 16.06724 0.975 32.56838 O ? D ? . O 1
   HETATM 2519 O . HOH A 2049 ? -4.52070 28.93901 27.82075 0.811 14.12908 O ? D ? . O 1
   HETATM 2520 O . HOH A 2052 ? -15.67869 27.55447 30.07252 0.442 9.12494 O ? D ? . O 1
   HETATM 2522 O . HOH A 2057 ? -0.99142 25.42425 28.42064 0.599 18.20339 O ? D ? . O 1
   HETATM 2524 O . HOH A 2059 ? -1.95316 14.83466 26.95319 0.911 22.64489 O ? D ? . O 1
   HETATM 2525 O . HOH A 2062 ? -0.45072 21.29560 27.80578 1.000 27.70226 O ? D ? . O 1
   HETATM 2526 O . HOH A 2063 ? -0.85211 22.28968 31.41329 1.000 29.19808 O ? D ? . O 1
   HETATM 2527 O . HOH A 2064 ? -12.31107 32.87542 19.11850 1.000 37.51805 O ? D ? . O 1
   HETATM 2528 O . HOH A 2065 ? -35.80020 20.04953 9.29234 0.982 30.78768 O ? D ? . O 1
   HETATM 2529 O . HOH A 2066 ? -35.71819 24.12488 8.01829 1.000 20.44654 O ? D ? . O 1
   HETATM 2530 O . HOH A 2068 ? -33.64220 20.61010 12.31840 0.817 20.21563 O ? D ? . O 1
   HETATM 2531 O . HOH A 2069 ? -4.82780 11.98348 24.81684 0.986 16.63009 O ? D ? . O 1
   HETATM 2532 O . HOH A 2071 ? -8.93916 11.19960 26.43620 0.952 24.17087 O ? D ? . O 1
   HETATM 2535 O . HOH A 2074 ? -13.61277 9.58388 18.86396 0.691 17.16044 O ? D ? . O 1
   HETATM 2537 O . HOH A 2076 ? -14.62824 11.48131 23.23529 1.000 20.69358 O ? D ? . O 1
   HETATM 2538 O . HOH A 2077 ? -17.62357 14.07716 23.07410 0.566 15.30456 O ? D ? . O 1
   HETATM 2540 O . HOH A 2081 ? -3.57005 11.85974 11.96920 0.894 38.45101 O ? D ? . O 1
   HETATM 2541 O . HOH A 2082 ? -25.20789 23.69512 18.20535 0.984 16.37390 O ? D ? . O 1
   HETATM 2542 O . HOH A 2083 ? -18.32256 9.37771 7.33016 0.959 17.38550 O ? D ? . O 1
   HETATM 2544 O . HOH A 2085 ? -19.76787 13.50311 1.10388 0.963 21.52889 O ? D ? . O 1
   HETATM 2546 O . HOH A 2089 ? -21.93400 9.69123 5.13921 0.980 17.34685 O ? D ? . O 1
   HETATM 2547 O . HOH A 2091 ? -19.67406 15.47098 -3.34071 1.000 33.97122 O ? D ? . O 1
   HETATM 2549 O . HOH A 2093 ? -20.24369 27.03176 16.75136 0.952 24.35845 O ? D ? . O 1
   HETATM 2550 O . HOH A 2094 ? -22.48597 23.63858 22.72926 0.997 16.47784 O ? D ? . O 1
   HETATM 2551 O . HOH A 2095 ? -23.65406 25.31196 19.71050 1.000 25.21205 O ? D ? . O 1
   HETATM 2552 O . HOH A 2096 ? -39.37479 13.40859 -4.09979 1.000 27.57354 O ? D ? . O 1
   HETATM 2554 O . HOH A 2099 ? -25.97162 28.86375 9.25117 1.000 31.18463 O ? D ? . O 1
   HETATM 2555 O . HOH A 2100 ? -18.66820 28.90076 23.81655 0.959 30.59484 O ? D ? . O 1
   HETATM 2556 O . HOH A 2101 ? -26.83532 30.80072 -10.45030 1.000 27.72102 O ? D ? . O 1
   HETATM 2557 O . HOH A 2102 ? -29.54882 34.13412 -9.33345 0.980 46.26602 O ? D ? . O 1
   HETATM 2558 O . HOH A 2103 ? -21.09149 25.86906 21.28025 0.895 23.64581 O ? D ? . O 1
   HETATM 2559 O . HOH A 2104 ? -18.40368 16.07070 26.75722 0.930 20.55152 O ? D ? . O 1
   HETATM 2560 O . HOH A 2105 ? -16.21405 18.26490 25.03038 0.816 16.58092 O ? D ? . O 1
   HETATM 2561 O . HOH A 2106 ? -17.37192 25.01188 26.75912 0.991 11.55925 O ? D ? . O 1
   HETATM 2562 O . HOH A 2107 ? -21.66539 17.17880 25.09212 1.000 11.26050 O ? D ? . O 1
   HETATM 2564 O . HOH A 2109 ? -14.19148 22.69935 25.58692 1.000 13.68734 O ? D ? . O 1
   HETATM 2565 O . HOH A 2110 ? -20.32524 17.21987 -5.86009 0.918 35.74416 O ? D ? . O 1
   HETATM 2568 O . HOH A 2118 ? -5.11718 30.55230 25.36464 0.654 15.39630 O ? D ? . O 1
   HETATM 2569 O . HOH A 2119 ? -10.17828 14.76057 6.61236 0.876 23.43242 O ? D ? . O 1
   HETATM 2570 O . HOH A 2123 ? -5.76516 14.25567 5.72634 0.935 25.32263 O ? D ? . O 1
   HETATM 2572 O . HOH A 2126 ? -14.02481 30.07934 34.42734 1.000 29.33753 O ? D ? . O 1
   HETATM 2573 O . HOH A 2127 ? -12.60870 32.88451 32.77247 0.909 16.69343 O ? D ? . O 1
   HETATM 2574 O . HOH A 2128 ? -16.07876 31.67719 28.95208 0.853 26.38248 O ? D ? . O 1
   HETATM 2575 O . HOH A 2129 ? -14.86254 29.89395 30.78539 0.879 17.09001 O ? D ? . O 1
   HETATM 2576 O . HOH A 2130 ? -6.65387 13.26280 7.91090 0.999 36.70214 O ? D ? . O 1
   HETATM 2577 O . HOH A 2131 ? -0.54709 14.94830 13.14476 0.973 22.57178 O ? D ? . O 1
   HETATM 2578 O . HOH A 2133 ? -6.86756 27.57550 27.63866 1.000 11.74987 O ? D ? . O 1
   HETATM 2580 O . HOH A 2136 ? -11.43252 23.42726 30.05208 0.949 10.07104 O ? D ? . O 1
   HETATM 2581 O . HOH A 2138 ? -5.01739 19.09181 22.41299 0.991 10.22118 O ? D ? . O 1
   HETATM 2582 O . HOH A 2139 ? -4.84620 21.66799 32.09762 0.906 19.98273 O ? D ? . O 1
   HETATM 2583 O . HOH A 2140 ? -2.57495 23.95890 30.02680 0.699 15.82070 O ? D ? . O 1
   HETATM 2585 O . HOH A 2142 ? -4.60372 25.46264 31.30457 0.966 13.88009 O ? D ? . O 1
   HETATM 2586 O . HOH A 2144 ? 0.06516 30.91615 15.01882 0.384 18.52775 O ? D ? . O 1
   HETATM 2587 O . HOH A 2145 ? -3.73760 32.84989 16.42358 1.000 16.63218 O ? D ? . O 1
   HETATM 2589 O . HOH A 2147 ? -4.04270 16.32940 29.03218 0.983 18.08177 O ? D ? . O 1
   HETATM 2590 O . HOH A 2149 ? -8.58852 14.61105 29.91902 0.531 13.46113 O ? D ? . O 1
   HETATM 2593 O . HOH A 2154 ? -11.05687 32.33693 16.68320 0.983 25.00824 O ? D ? . O 1
   HETATM 2594 O . HOH A 2155 ? -7.62734 33.59404 14.89501 0.815 28.28117 O ? D ? . O 1
   HETATM 2595 O . HOH A 2156 ? -2.71519 19.54396 29.13120 0.751 19.89625 O ? D ? . O 1
   HETATM 2597 O . HOH A 2159 ? -7.47316 12.25591 24.32682 0.980 13.95896 O ? D ? . O 1
   HETATM 2598 O . HOH A 2160 ? -3.21716 14.22713 24.57079 1.000 17.67288 O ? D ? . O 1
   HETATM 2599 O . HOH A 2161 ? -18.46894 29.24820 13.16080 1.000 36.59976 O ? D ? . O 1
   HETATM 2601 O . HOH A 2163 ? -9.27402 22.03760 27.56986 1.000 10.33781 O ? D ? . O 1
   HETATM 2603 O . HOH A 2165 ? -13.26586 15.70054 25.41621 0.983 14.29852 O ? D ? . O 1
   HETATM 2604 O . HOH A 2166 ? -14.85581 17.23285 27.11695 0.765 16.56810 O ? D ? . O 1
   HETATM 2605 O . HOH A 2167 ? -13.62918 23.31650 28.31898 0.941 10.20320 O ? D ? . O 1
   HETATM 2606 O . HOH A 2168 ? -13.94840 35.31852 8.33840 0.869 28.92017 O ? D ? . O 1
   HETATM 2608 O . HOH A 2172 ? -3.95747 10.03830 23.08265 0.998 30.03089 O ? D ? . O 1
   HETATM 2609 O . HOH A 2173 ? -13.06991 11.24126 20.96983 0.980 15.04937 O ? D ? . O 1
   HETATM 2610 O . HOH A 2174 ? -15.74437 15.95310 23.52935 0.541 15.72143 O ? D ? . O 1
   HETATM 2611 O . HOH A 2175 ? -13.98078 20.09455 24.43647 1.000 16.61660 O ? D ? . O 1
   HETATM 2613 O . HOH A 2177 ? -14.72656 14.25689 23.54155 0.794 18.27696 O ? D ? . O 1
   HETATM 2614 O . HOH A 2178 ? -10.93760 9.76290 22.23219 0.847 35.50559 O ? D ? . O 1
   HETATM 2615 O . HOH A 2179 ? -8.25966 10.88956 22.14301 1.000 20.15642 O ? D ? . O 1
   HETATM 2616 O . HOH A 2180 ? -12.40801 8.54836 15.89179 0.962 39.46250 O ? D ? . O 1
   HETATM 2617 O . HOH A 2181 ? -6.44897 11.80993 17.24850 0.926 29.71086 O ? D ? . O 1
   HETATM 2619 O . HOH A 2183 ? -6.51834 12.17651 12.00847 0.656 17.56687 O ? D ? . O 1
   HETATM 2620 O . HOH A 2184 ? -12.96305 13.03767 8.58514 0.801 19.37013 O ? D ? . O 1
   HETATM 2622 O . HOH A 2186 ? -12.82518 10.30217 11.76733 1.000 33.91447 O ? D ? . O 1
   HETATM 2623 O . HOH A 2187 ? -17.38590 10.58147 9.57141 0.911 11.93703 O ? D ? . O 1
   HETATM 2624 O . HOH A 2188 ? -14.90268 9.94759 16.54097 0.675 21.85076 O ? D ? . O 1
   HETATM 2625 O . HOH A 2189 ? -13.68506 15.94885 8.60328 0.997 17.08962 O ? D ? . O 1
   HETATM 2627 O . HOH A 2191 ? -20.79220 13.60620 3.74411 0.958 15.41902 O ? D ? . O 1
   HETATM 2628 O . HOH A 2193 ? -23.56491 11.58960 6.21715 1.000 9.61326 O ? D ? . O 1
   HETATM 2629 O . HOH A 2195 ? -22.32924 17.89438 -0.85186 0.771 15.16225 O ? D ? . O 1
   HETATM 2630 O . HOH A 2196 ? -21.34385 14.47504 -0.91391 0.940 26.51971 O ? D ? . O 1
   HETATM 2631 O . HOH A 2197 ? -25.36093 12.10870 -1.42942 0.962 16.95389 O ? D ? . O 1
   HETATM 2632 O . HOH A 2198 ? -24.19962 18.33276 -2.96833 0.859 15.25541 O ? D ? . O 1
   HETATM 2633 O . HOH A 2199 ? -28.81569 13.71783 0.31181 0.954 12.67203 O ? D ? . O 1
   HETATM 2634 O . HOH A 2200 ? -30.37694 12.86826 -3.56674 0.960 21.37806 O ? D ? . O 1
   HETATM 2635 O . HOH A 2204 ? -36.37698 19.37753 -2.59189 0.812 14.75293 O ? D ? . O 1
   HETATM 2637 O . HOH A 2206 ? -30.74374 19.70180 -6.55254 0.598 11.20216 O ? D ? . O 1
   HETATM 2638 O . HOH A 2207 ? -37.22585 19.71250 1.58721 0.998 15.10627 O ? D ? . O 1
   HETATM 2639 O . HOH A 2208 ? -31.67284 24.32665 -6.48791 0.627 9.75799 O ? D ? . O 1
   HETATM 2640 O . HOH A 2209 ? -36.37685 26.53390 6.72909 1.000 34.38863 O ? D ? . O 1
   HETATM 2641 O . HOH A 2210 ? -34.16444 26.61597 1.34219 0.736 14.33492 O ? D ? . O 1
   HETATM 2642 O . HOH A 2211 ? -35.41730 29.60008 4.58215 0.999 40.33370 O ? D ? . O 1
   HETATM 2643 O . HOH A 2212 ? -29.92639 28.06681 9.13948 0.668 18.06426 O ? D ? . O 1
   HETATM 2645 O . HOH A 2215 ? -31.96285 31.68961 -1.92862 1.000 33.18256 O ? D ? . O 1
   HETATM 2648 O . HOH A 2218 ? -29.88659 25.50918 -8.19699 0.732 13.88485 O ? D ? . O 1
   HETATM 2649 O . HOH A 2219 ? -30.06973 32.08243 -7.24908 0.845 24.17214 O ? D ? . O 1
   HETATM 2650 O . HOH A 2220 ? -29.79198 32.04976 -3.48604 0.783 30.68141 O ? D ? . O 1
   HETATM 2651 O . HOH A 2222 ? -29.28647 30.49654 -9.34559 1.000 21.77974 O ? D ? . O 1
   HETATM 2652 O . HOH A 2223 ? -23.66231 20.08338 -4.88289 0.892 16.71935 O ? D ? . O 1
   HETATM 2653 O . HOH A 2225 ? -26.13684 19.35466 -8.84509 0.714 21.97809 O ? D ? . O 1
   HETATM 2654 O . HOH A 2229 ? -21.00708 19.58405 -4.54836 0.999 17.19014 O ? D ? . O 1
   HETATM 2655 O . HOH A 2230 ? -14.69869 20.73560 -6.74089 0.912 28.05513 O ? D ? . O 1
   HETATM 2656 O . HOH A 2232 ? -14.24080 26.71211 -6.68275 0.989 22.16713 O ? D ? . O 1
   HETATM 2657 O . HOH A 2233 ? -15.58989 27.15430 -4.33693 0.966 19.68848 O ? D ? . O 1
   HETATM 2658 O . HOH A 2235 ? -18.36186 14.09656 -7.10789 0.942 22.23820 O ? D ? . O 1
   HETATM 2659 O . HOH A 2238 ? -11.02264 22.08636 -1.82122 0.836 16.28507 O ? D ? . O 1
   HETATM 2660 O . HOH A 2240 ? -10.71521 26.06581 -4.23164 0.663 16.97083 O ? D ? . O 1
   HETATM 2661 O . HOH A 2241 ? -11.29676 26.38391 -6.39340 0.691 19.36197 O ? D ? . O 1
   HETATM 2662 O . HOH A 2242 ? -10.92256 24.20806 -8.11202 0.739 20.83239 O ? D ? . O 1
   HETATM 2664 O . HOH A 2247 ? -20.01149 18.24623 -2.06388 0.853 16.91573 O ? D ? . O 1
   HETATM 2665 O . HOH A 2248 ? -10.86943 17.43252 2.38586 0.807 20.55852 O ? D ? . O 1
   HETATM 2666 O . HOH A 2249 ? -13.52086 13.90264 2.19098 1.000 37.32310 O ? D ? . O 1
   HETATM 2667 O . HOH A 2250 ? -10.70025 20.15220 -3.36643 0.999 26.89173 O ? D ? . O 1
   HETATM 2668 O . HOH A 2251 ? -13.41465 19.39015 -4.85203 0.650 26.49878 O ? D ? . O 1
   HETATM 2669 O . HOH A 2252 ? -13.58473 13.39626 5.00506 0.993 34.87384 O ? D ? . O 1
   HETATM 2670 O . HOH A 2254 ? -11.01819 16.54033 8.52961 0.821 12.19420 O ? D ? . O 1
   HETATM 2671 O . HOH A 2255 ? -17.15101 13.93437 3.70156 0.951 21.94415 O ? D ? . O 1
   HETATM 2672 O . HOH A 2256 ? -7.10539 15.62504 3.57675 0.976 24.58949 O ? D ? . O 1
   HETATM 2673 O . HOH A 2258 ? -6.02296 21.72646 1.12293 1.000 15.20807 O ? D ? . O 1
   HETATM 2674 O . HOH A 2259 ? -9.44853 20.79794 -0.14691 0.984 21.24542 O ? D ? . O 1
   HETATM 2675 O . HOH A 2261 ? -4.51768 15.90074 11.17868 0.851 14.02148 O ? D ? . O 1
   HETATM 2676 O . HOH A 2264 ? -1.81519 22.31035 12.99612 1.000 18.86219 O ? D ? . O 1
   HETATM 2677 O . HOH A 2265 ? -8.85136 14.63592 15.26947 1.000 12.31623 O ? D ? . O 1
   HETATM 2678 O . HOH A 2266 ? -9.07646 15.93162 10.74724 0.871 13.33740 O ? D ? . O 1
   HETATM 2679 O . HOH A 2267 ? -6.64306 12.86096 14.50603 0.668 20.08101 O ? D ? . O 1
   HETATM 2680 O . HOH A 2268 ? -6.74946 14.33938 10.41787 0.883 18.24566 O ? D ? . O 1
   HETATM 2681 O . HOH A 2269 ? 0.15087 16.53612 15.13445 0.995 17.75828 O ? D ? . O 1
   HETATM 2682 O . HOH A 2270 ? -2.54497 16.19413 22.76464 1.000 15.82080 O ? D ? . O 1
   HETATM 2683 O . HOH A 2271 ? -3.27104 14.59143 13.22435 0.954 17.39613 O ? D ? . O 1
   HETATM 2684 O . HOH A 2272 ? 1.29573 14.82138 17.01030 1.000 28.88835 O ? D ? . O 1
   HETATM 2685 O . HOH A 2273 ? -1.23116 13.07034 20.87885 0.847 28.14247 O ? D ? . O 1
   HETATM 2686 O . HOH A 2274 ? -7.69920 15.48194 17.63644 0.921 10.91065 O ? D ? . O 1
   HETATM 2687 O . HOH A 2275 ? -2.57570 11.62089 15.45381 0.785 33.00543 O ? D ? . O 1
   HETATM 2688 O . HOH A 2277 ? 0.13859 16.26457 23.38308 0.883 27.01036 O ? D ? . O 1
   HETATM 2689 O . HOH A 2279 ? 0.64085 20.22066 25.50896 0.926 22.52452 O ? D ? . O 1
   HETATM 2690 O . HOH A 2281 ? 0.87473 24.41521 23.95389 0.997 21.71548 O ? D ? . O 1
   HETATM 2691 O . HOH A 2282 ? -0.59019 31.86315 19.74359 0.896 27.61250 O ? D ? . O 1
   HETATM 2693 O . HOH A 2284 ? -1.57121 31.17103 17.24397 0.943 15.28652 O ? D ? . O 1
   HETATM 2694 O . HOH A 2287 ? 3.59193 30.80815 23.36211 0.890 25.33651 O ? D ? . O 1
   HETATM 2695 O . HOH A 2292 ? -2.43157 25.80200 13.23000 0.909 23.26558 O ? D ? . O 1
   HETATM 2698 O . HOH A 2297 ? -6.19317 32.08469 12.79322 0.989 20.60269 O ? D ? . O 1
   HETATM 2699 O . HOH A 2298 ? -13.27394 30.97002 14.83896 0.892 23.60887 O ? D ? . O 1
   HETATM 2700 O . HOH A 2299 ? -12.81408 32.90793 12.77781 1.000 47.35219 O ? D ? . O 1
   HETATM 2701 O . HOH A 2301 ? -8.55426 31.80696 7.32281 1.000 25.57990 O ? D ? . O 1
   HETATM 2702 O . HOH A 2302 ? -9.89268 29.47867 6.43853 1.000 24.25502 O ? D ? . O 1
   HETATM 2703 O . HOH A 2303 ? -8.24049 33.07106 11.01315 0.989 34.51181 O ? D ? . O 1
   HETATM 2705 O . HOH A 2305 ? -14.74267 33.84934 6.12464 1.000 20.99943 O ? D ? . O 1
   HETATM 2707 O . HOH A 2307 ? -12.11340 27.90896 3.51080 0.702 15.50667 O ? D ? . O 1
   HETATM 2708 O . HOH A 2308 ? -11.95973 30.31410 4.70168 0.881 16.90051 O ? D ? . O 1
   HETATM 2712 O . HOH A 2314 ? -21.47479 32.12584 9.65550 0.998 23.45377 O ? D ? . O 1
   HETATM 2713 O . HOH A 2315 ? -16.79849 35.02066 4.40064 0.859 23.61610 O ? D ? . O 1
   HETATM 2714 O . HOH A 2316 ? -25.88055 33.60483 1.83392 0.952 28.80227 O ? D ? . O 1
   HETATM 2716 O . HOH A 2318 ? -23.57983 32.05951 -3.84980 1.000 31.56957 O ? D ? . O 1
   HETATM 2717 O . HOH A 2321 ? -36.69875 28.95414 1.92846 0.937 22.09829 O ? D ? . O 1
   HETATM 2718 O . HOH A 2323 ? -30.12245 25.49910 8.72584 1.000 12.96643 O ? D ? . O 1
   HETATM 2720 O . HOH A 2325 ? -33.20587 25.07739 11.53370 0.996 28.27138 O ? D ? . O 1
   HETATM 5000 O . HOH S 2326 ? -15.82572 26.71675 3.12603 0.865 15.80195 O ? E ? . O 1
   HETATM 5001 O . HOH S 2327 ? -19.57860 25.12587 -9.62244 0.969 25.18209 O ? E ? . O 1
   HETATM 5002 O . HOH S 2328 ? -14.02106 28.17032 1.53243 0.672 13.57591 O ? E ? . O 1
   HETATM 5003 O . HOH S 2329 ? -29.09832 27.92630 -8.47889 0.770 21.46234 O ? E ? . O 1
   HETATM 5005 O . HOH S 2331 ? -7.53342 25.00931 10.50866 0.434 12.16346 O ? E ? . O 1
   HETATM 5007 O . HOH S 2333 ? -33.93823 10.42640 -1.29656 0.993 27.09957 O ? E ? . O 1
   HETATM 5008 O . HOH S 2334 ? -8.75762 31.77285 17.17247 0.923 29.89163 O ? E ? . O 1
   HETATM 5010 O . HOH S 2336 ? -13.82851 14.33048 27.38402 0.719 26.78568 O ? E ? . O 1
   HETATM 5011 O . HOH S 2337 ? -32.22705 22.36074 13.89236 0.947 27.51902 O ? E ? . O 1
   HETATM 5012 O . HOH S 2338 ? 0.14581 23.89432 26.60082 0.712 23.76642 O ? E ? . O 1
   HETATM 5013 O . HOH S 2339 ? -16.19984 12.98367 -8.64052 0.815 29.10744 O ? E ? . O 1
   HETATM 5014 O . HOH S 2340 ? -13.92960 26.01636 3.14753 0.444 20.25069 O ? E ? . O 1
   HETATM 5015 O . HOH S 2341 ? -25.12068 27.87561 16.30176 0.730 26.36307 O ? E ? . O 1
   HETATM 5016 O . HOH S 2342 ? -15.91189 32.20982 25.08961 0.894 35.62126 O ? E ? . O 1
   HETATM 5017 O . HOH S 2343 ? -0.65365 22.65720 33.82977 0.912 34.91917 O ? E ? . O 1
   HETATM 5018 O . HOH S 2344 ? -5.81937 16.96462 33.24356 0.546 20.38503 O ? E ? . O 1
   HETATM 5020 O . HOH S 2346 ? 1.51603 31.04670 24.40299 0.597 31.70321 O ? E ? . O 1
   HETATM 5022 O . HOH S 2348 ? -38.42750 11.72519 16.01752 0.615 23.60273 O ? E ? . O 1
   HETATM 5023 O . HOH S 2349 ? 0.39037 20.73879 13.59794 1.000 36.49739 O ? E ? . O 1
   HETATM 5025 O . HOH S 2351 ? -14.92936 24.87107 -8.50600 1.000 37.48553 O ? E ? . O 1
   HETATM 5027 O . HOH S 2353 ? -10.26894 16.35264 4.59954 0.649 26.08257 O ? E ? . O 1
   HETATM 5028 O . HOH S 2354 ? -20.96672 28.91440 -6.46929 0.484 24.22511 O ? E ? . O 1
   HETATM 5029 O . HOH S 2355 ? -36.37198 11.62257 9.34234 0.828 31.10948 O ? E ? . O 1
   HETATM 5030 O . HOH S 2356 ? -4.03571 14.02617 30.41922 0.670 24.79417 O ? E ? . O 1
   HETATM 5031 O . HOH S 2357 ? 1.71841 18.42903 13.87215 1.000 40.04825 O ? E ? . O 1
   HETATM 5033 O . HOH S 2359 ? -32.95334 33.47012 0.05412 1.000 46.09224 O ? E ? . O 1
   HETATM 5034 O . HOH S 2360 ? -16.98826 31.11282 32.64322 0.911 37.37169 O ? E ? . O 1
   HETATM 5035 O . HOH S 2361 ? -18.50019 29.90752 20.34227 0.674 26.52843 O ? E ? . O 1
   HETATM 5036 O . HOH S 2362 ? -13.28736 22.87768 -8.71727 1.000 40.69105 O ? E ? . O 1
   HETATM 5038 O . HOH S 2364 ? 0.64192 28.27105 14.74104 0.617 25.92749 O ? E ? . O 1
   HETATM 5040 O . HOH S 2366 ? -9.66602 13.26996 28.03141 0.489 20.58279 O ? E ? . O 1
   HETATM 5041 O . HOH S 2367 ? -29.96198 28.67900 11.86118 0.907 30.15492 O ? E ? . O 1
   HETATM 5042 O . HOH S 2368 ? -15.76225 18.77278 -8.35748 0.996 36.98658 O ? E ? . O 1
   HETATM 5044 O . HOH S 2370 ? -38.92157 6.58021 -0.11539 0.624 28.72493 O ? E ? . O 1
   HETATM 5047 O . HOH S 2373 ? -12.15475 10.88437 14.21195 0.589 25.69555 O ? E ? . O 1
   HETATM 5050 O . HOH S 2376 ? 3.75241 21.56981 17.35511 0.749 27.54465 O ? E ? . O 1
   HETATM 5051 O . HOH S 2377 ? -10.87680 33.77034 11.68441 0.814 34.39524 O ? E ? . O 1
   HETATM 5052 O . HOH S 2378 ? -39.37639 10.25334 -1.87668 0.741 32.17188 O ? E ? . O 1
   HETATM 5053 O . HOH S 2379 ? -0.49481 24.42339 12.03639 0.412 15.18139 O ? E ? . O 1
   HETATM 5054 O . HOH S 2380 ? -23.57702 34.25797 6.07015 0.914 31.81714 O ? E ? . O 1
   HETATM 5055 O . HOH S 2381 ? -24.62337 15.06077 -0.96805 0.321 19.97394 O ? E ? . O 1
   HETATM 5061 O . HOH S 2387 ? -0.75071 12.89055 23.41521 0.957 40.40629 O ? E ? . O 1
   HETATM 5068 O . HOH S 2394 ? -8.02360 12.02273 29.34285 0.674 29.11635 O ? E ? . O 1
   HETATM 5071 O . HOH S 2397 ? 0.13321 27.25871 27.36111 0.489 28.65041 O ? E ? . O 1
   HETATM 5073 O . HOH S 2399 ? -0.46487 27.29885 12.55086 0.689 29.91797 O ? E ? . O 1
   HETATM 5075 O . HOH S 2401 ? -22.64607 30.62693 -5.61751 0.936 37.95148 O ? E ? . O 1
   HETATM 5076 O . HOH S 2402 ? -14.12341 10.86628 9.47274 0.810 32.84240 O ? E ? . O 1
   HETATM 5081 O . HOH S 2407 ? -17.73037 10.60858 4.92232 0.614 26.73292 O ? E ? . O 1
   HETATM 5087 O . HOH S 2413 ? -43.57337 8.68465 5.21356 0.359 25.50517 O ? E ? . O 1
   HETATM 5098 O . HOH S 2424 ? -21.59698 27.14827 18.69610 0.431 29.14939 O ? E ? . O 1
   HETATM 5100 O . HOH S 2426 ? -17.78076 32.59564 0.31899 0.838 26.57784 O ? E ? . O 1
   HETATM 5159 O . HOH S 2427 ? -28.31726 18.16969 -10.13375 0.676 19.96485 O ? F ? . O 1
   HETATM 5160 O . HOH S 2428 ? -22.82715 28.01544 15.03389 1.000 31.99170 O ? F ? . O 1
   HETATM 5161 O . HOH S 2429 ? -30.58957 17.63870 -7.56119 0.306 23.27785 O ? F ? . O 1
   HETATM 5165 O . HOH S 2433 ? -19.14460 16.54406 -7.63511 0.643 28.38830 O ? F ? . O 1
   HETATM 5166 O . HOH S 2434 ? -6.88653 35.02384 24.65325 0.696 29.60738 O ? F ? . O 1
   HETATM 5168 O . HOH S 2436 ? -14.48532 33.96037 11.27450 0.997 33.20732 O ? F ? . O 1
   HETATM 5169 O . HOH S 2437 ? -37.92023 7.95146 7.08416 0.675 23.89992 O ? F ? . O 1
   HETATM 5171 O . HOH S 2439 ? -18.42188 18.63734 -8.48401 0.886 34.18772 O ? F ? . O 1
   HETATM 5178 O . HOH S 2446 ? -15.64123 37.60183 5.09202 0.829 35.27764 O ? F ? . O 1
   HETATM 5181 O . HOH S 2449 ? -3.38673 9.27617 18.44237 1.000 43.41030 O ? F ? . O 1
   HETATM 5182 O . HOH S 2450 ? -18.45932 29.41289 -3.79641 1.000 39.89942 O ? F ? . O 1
   HETATM 5183 O . HOH S 2451 ? -12.03038 12.52380 6.65845 0.525 30.69258 O ? F ? . O 1
   HETATM 5192 O . HOH S 2460 ? -28.00640 31.94697 7.35470 0.698 38.28437 O ? F ? . O 1
   HETATM 5196 O . HOH S 2464 ? 0.88493 17.43374 25.47605 0.863 38.44815 O ? F ? . O 1
   HETATM 5198 O . HOH S 2466 ? -15.85472 11.81144 3.55143 0.481 25.49020 O ? F ? . O 1
   HETATM 5218 O . HOH S 2486 ? 2.89304 27.78787 16.00488 0.402 24.93587 O ? F ? . O 1
   HETATM 5233 O . HOH S 2501 ? -2.18578 12.41961 27.93899 0.549 33.36572 O ? F ? . O 1
   HETATM 5247 O . HOH S 2502 ? -32.84288 17.89891 12.54323 0.546 17.08937 O ? G ? . O 1
   HETATM 5248 O . HOH S 2503 ? -11.47743 20.99015 26.73818 0.457 23.59977 O ? G ? . O 1
   HETATM 5249 O . HOH S 2504 ? -35.03800 16.71302 13.50437 0.423 18.79818 O ? G ? . O 1
   HETATM 5250 O . HOH S 2505 ? 1.32107 28.87596 25.93445 0.614 24.77255 O ? G ? . O 1
   HETATM 5252 O . HOH S 2507 ? -3.44063 27.96457 11.48186 0.340 21.37288 O ? G ? . O 1
   HETATM 5253 O . HOH S 2508 ? 2.66873 20.50629 15.28129 0.507 26.25220 O ? G ? . O 1
   HETATM 5254 O . HOH S 2509 ? -38.70349 16.46577 9.03859 0.675 29.30256 O ? G ? . O 1
   HETATM 5256 O . HOH S 2511 ? -27.93543 29.75468 8.52451 0.428 24.39332 O ? G ? . O 1
   HETATM 5259 O . HOH S 2514 ? -19.66912 32.20630 -3.95302 0.727 31.41464 O ? G ? . O 1
   HETATM 5260 O . HOH S 2515 ? -17.23318 14.39357 0.69724 0.468 21.49969 O ? G ? . O 1
   HETATM 5261 O . HOH S 2516 ? -17.84781 31.30926 11.90068 0.618 26.51700 O ? G ? . O 1
   HETATM 5263 O . HOH S 2518 ? -17.81012 31.08670 24.25422 0.669 38.11679 O ? G ? . O 1
   HETATM 5264 O . HOH S 2519 ? -22.35110 15.84616 12.21866 0.243 10.55715 O ? G ? . O 1
   HETATM 5266 O . HOH S 2521 ? -10.67087 14.34296 8.69999 0.298 17.73435 O ? G ? . O 1
   HETATM 5275 O . HOH S 2530 ? -11.80815 35.39293 10.20661 0.350 19.32935 O ? G ? . O 1
   HETATM 5276 O . HOH S 2531 ? -31.06865 34.48165 1.14470 0.778 45.29712 O ? G ? . O 1
   HETATM 5280 O . HOH S 2535 ? -21.25871 33.94682 -3.28086 0.492 23.82438 O ? G ? . O 1
   HETATM 5285 O . HOH S 2540 ? -15.12518 12.88382 28.63091 0.362 20.63741 O ? G ? . O 1
   HETATM 5288 O . HOH S 2543 ? 1.84545 27.19468 24.12671 0.374 15.63436 O ? G ? . O 1
   HETATM 5289 O . HOH S 2544 ? -35.84172 31.42206 3.37107 0.504 34.57295 O ? G ? . O 1
   HETATM 5291 O . HOH S 2546 ? -1.46823 14.26335 31.87528 0.751 41.74384 O ? G ? . O 1
   HETATM 5295 O . HOH S 2550 ? -37.27758 3.97130 5.99755 0.599 33.66567 O ? G ? . O 1
   HETATM 5297 O . HOH S 2552 ? -33.10849 26.52581 9.40731 0.527 34.44529 O ? G ? . O 1
   HETATM 5301 O . HOH S 2556 ? -21.71695 34.13036 7.51197 0.405 32.68196 O ? G ? . O 1
   HETATM 5306 O . HOH S 2561 ? -9.15247 33.73255 9.02207 0.313 18.82331 O ? G ? . O 1
   HETATM 5311 O . HOH S 2566 ? -15.11789 10.74352 5.46638 0.424 25.02042 O ? G ? . O 1
   HETATM 5319 O . HOH S 2574 ? -14.30182 28.83367 -7.80506 0.363 26.03093 O ? G ? . O 1
   HETATM 5322 O . HOH S 2577 ? -39.55508 4.92253 1.25284 0.325 27.27935 O ? G ? . O 1
   HETATM 5324 O . HOH S 2579 ? -4.56825 11.81278 29.64780 0.329 25.39222 O ? G ? . O 1
   HETATM 5359 O . HOH S 2584 ? -13.73381 11.44439 25.67354 0.463 22.39148 O ? H ? . O 1
   HETATM 5361 O . HOH S 2586 ? -30.50259 33.03947 -0.47718 0.402 31.08795 O ? H ? . O 1
   HETATM 5364 O . HOH S 2589 ? -40.53062 6.09319 -2.16950 0.511 27.95300 O ? H ? . O 1
   HETATM 5366 O . HOH S 2591 ? -19.80895 31.27215 10.83810 0.572 36.93118 O ? H ? . O 1
   HETATM 5367 O . HOH S 2592 ? -20.08843 34.89671 -0.51922 0.583 28.44601 O ? H ? . O 1
   HETATM 5369 O . HOH S 2594 ? 1.45450 26.49997 22.14321 0.312 24.87822 O ? H ? . O 1
   HETATM 5371 O . HOH S 2596 ? -25.61901 27.89663 -11.07751 0.330 19.67395 O ? H ? . O 1
   HETATM 5377 O . HOH S 2602 ? -37.42896 18.11560 12.70961 0.676 38.90953 O ? H ? . O 1
   HETATM 5379 O . HOH S 2604 ? -22.11021 26.52037 -12.33376 0.664 35.50950 O ? H ? . O 1
   HETATM 5381 O . HOH S 2606 ? 3.49740 27.86506 22.69703 0.266 16.42676 O ? H ? . O 1
   HETATM 5384 O . HOH S 2609 ? -8.53843 35.79694 22.79923 0.421 25.55694 O ? H ? . O 1
   HETATM 5390 O . HOH S 2615 ? 0.02548 12.33118 17.32168 0.643 37.04844 O ? H ? . O 1
   HETATM 5399 O . HOH S 2624 ? -12.82913 25.41840 -6.32258 0.240 22.43214 O ? H ? . O 1
   HETATM 5401 O . HOH S 2626 ? -8.69438 34.14537 21.19600 0.357 20.58935 O ? H ? . O 1
   HETATM 5402 O . HOH S 2627 ? -20.34787 29.31940 11.86589 0.430 28.50747 O ? H ? . O 1
   HETATM 5403 O . HOH S 2628 ? 0.46851 12.23607 27.42125 0.412 33.44665 O ? H ? . O 1
   HETATM 5405 O . HOH S 2630 ? -10.52193 34.45192 19.91482 0.521 30.36220 O ? H ? . O 1
   HETATM 5408 O . HOH S 2633 ? -18.21360 23.37126 -12.52195 0.504 31.02149 O ? H ? . O 1
   HETATM 5409 O . HOH S 2634 ? -17.16451 31.04484 14.00608 0.395 32.31671 O ? H ? . O 1
   HETATM 5413 O . HOH S 2638 ? -11.32154 8.26397 17.92791 0.514 28.76338 O ? H ? . O 1
   HETATM 5415 O . HOH S 2640 ? -16.02251 13.54077 -1.30636 0.425 28.32553 O ? H ? . O 1
   HETATM 5416 O . HOH S 2641 ? -18.61144 29.25669 17.38852 0.450 31.28985 O ? H ? . O 1
   HETATM 5437 O . HOH S 2643 ? 3.55016 26.50901 20.27353 0.527 21.64336 O ? I ? . O 1
   HETATM 5438 O . HOH S 2644 ? -4.87177 36.23670 25.98036 0.555 23.07546 O ? I ? . O 1
   HETATM 5444 O . HOH S 2650 ? -13.55531 37.62847 3.71852 0.573 37.62721 O ? I ? . O 1
   HETATM 5452 O . HOH S 2658 ? -14.08360 22.01256 -11.28386 0.775 38.19938 O ? I ? . O 1
   HETATM 5458 O . HOH S 2664 ? -20.05753 19.46156 -10.52749 0.438 29.50618 O ? I ? . O 1
   HETATM 5472 O . HOH S 2678 ? -0.43256 23.73592 29.92372 0.368 32.53713 O ? I ? . O 1
   HETATM 5473 O . HOH S 2679 ? -14.50483 33.27104 18.65409 0.502 33.93507 O ? I ? . O 1
   HETATM 5474 O . HOH S 2680 ? -18.40495 15.67990 -9.37429 0.326 23.18585 O ? I ? . O 1
   HETATM 5479 O . HOH S 2685 ? -18.07873 9.27665 3.18202 0.290 20.59963 O ? I ? . O 1
   HETATM 5480 O . HOH S 2686 ? -6.28147 8.81920 22.45163 0.463 34.06668 O ? I ? . O 1
   HETATM 5483 O . HOH S 2689 ? -18.09075 13.78026 -3.29113 0.467 37.75249 O ? I ? . O 1

data_comp_PCA
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
   PCA N N NH1 0 -0.599 38.6874 57.7792 68.0159
   PCA CA C CH1 0 -0.205 38.4569 58.9100 67.1424
   PCA CB C CH2 0 -0.462 37.3719 59.6735 67.9229
   PCA CG C CH2 0 -0.585 37.6997 59.3562 69.3782
   PCA CD C C 0 0.504 38.4098 58.0175 69.3102
   PCA OE O O 0 -0.496 38.6835 57.2922 70.2534
   PCA C C C 0 0.403 39.7108 59.7897 66.9084
   PCA O O O 0 -0.591 40.7127 59.5622 67.6083
   PCA OXT O OC -1 -0.610 39.5709 60.6688 66.0354
   PCA H H HNH1 0 0.381 39.3244 57.0403 67.7597
   PCA HA H HCH1 0 0.243 38.0756 58.5717 66.1760
   PCA HB2 H HCH2 0 0.245 37.3714 60.7375 67.6953
   PCA HB3 H HCH2 0 0.244 36.3857 59.2806 67.6690
   PCA HG2 H HCH2 0 0.265 38.3893 60.0857 69.8122
   PCA HG3 H HCH2 0 0.263 36.8289 59.3089 70.0317

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
   PCA N CA single 1.458 0.019 1.458
   PCA N CD single 1.345 0.020 1.345
   PCA N H single 0.860 0.020 0.860
   PCA CA CB single 1.530 0.020 1.530
   PCA CA C single 1.525 0.021 1.525
   PCA CA HA single 0.970 0.020 0.970
   PCA CB CG single 1.525 0.020 1.525
   PCA CB HB2 single 0.970 0.020 1.090
   PCA CB HB3 single 0.970 0.020 1.090
   PCA CG CD single 1.517 0.020 1.517
   PCA CG HG2 single 0.970 0.020 1.090
   PCA CG HG3 single 0.970 0.020 1.090
   PCA CD OE double 1.221 0.020 1.221
   PCA C O deloc 1.231 0.020 1.231
   PCA C OXT deloc 1.247 0.020 1.247

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
   PCA H N CD 120.30 3.000
   PCA H N CA 114.00 3.000
   PCA CD N CA 114.17 3.000
   PCA HA CA C 109.00 3.000
   PCA HA CA CB 109.00 3.000
   PCA C CA CB 110.10 1.900
   PCA HA CA N 110.00 3.000
   PCA C CA N 111.00 2.800
   PCA CB CA N 110.50 1.700
   PCA HB3 CB HB2 107.63 3.000
   PCA HB3 CB CG 109.95 3.000
   PCA HB2 CB CG 113.77 3.000
   PCA HB3 CB CA 109.90 3.000
   PCA HB2 CB CA 112.29 3.000
   PCA CG CB CA 103.25 3.000
   PCA HG3 CG HG2 107.15 3.000
   PCA HG3 CG CD 111.26 3.000
   PCA HG2 CG CD 108.14 3.000
   PCA HG3 CG CB 114.17 3.000
   PCA HG2 CG CB 112.05 3.000
   PCA CD CG CB 103.97 3.000
   PCA OE CD CG 126.48 3.000
   PCA OE CD N 126.29 3.000
   PCA CG CD N 107.23 3.000
   PCA OXT C O 127.86 3.000
   PCA OXT C CA 114.54 3.000
   PCA O C CA 120.80 1.700

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
   PCA CONST_01 CG CD N CA 0.00 0.0 0
   PCA CONST_02 OE CD N CA 180.00 0.0 0
   PCA CONST_03 H N CD CG 180.00 0.0 0
   PCA Var_01 CB CG CD N 11.43 30.0 1
   PCA Var_02 CD CG CB CA -26.44 30.0 1
   PCA Var_03 HB2 CB CA N 154.14 30.0 1
   PCA Var_04 HB3 CB CA N -86.09 30.0 1
   PCA Var_05 HA CA CB CG 148.19 30.0 1

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
   PCA chir_01 CA N CB C negativ

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   PCA plan-1 N 0.020
   PCA plan-1 CA 0.020
   PCA plan-1 CG 0.020
   PCA plan-1 CD 0.020
   PCA plan-1 OE 0.020
   PCA plan-1 H 0.020
   PCA plan-2 CA 0.020
   PCA plan-2 C 0.020
   PCA plan-2 O 0.020
   PCA plan-2 OXT 0.020

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

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   PCA PCA '5-oxo-L-proline          ' L-peptide 15 9 .

data_comp_HEC
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
   HEC CHA C CR1H 0.030
   HEC HHA H HCR1 0.010
   HEC C1A C CR5 0.030
   HEC C2A C CR5 -0.020
   HEC CAA C CH2 -0.010
   HEC HAA1 H HCH2 0.025
   HEC HAA2 H HCH2 0.025
   HEC CBA C CH2 -0.020
   HEC HBA1 H HCH2 0.000
   HEC HBA2 H HCH2 0.000
   HEC CGA C C 0.300
   HEC O1A O OC -0.210
   HEC O2A O OC -0.210
   HEC C3A C CR5 0.020
   HEC CMA C CH3 -0.100
   HEC HMA1 H HCH3 0.020
   HEC HMA2 H HCH3 0.020
   HEC HMA3 H HCH3 0.020
   HEC C4A C CR5 0.020
   HEC NA N NPA -0.180
   HEC CHB C CR1H 0.030
   HEC HHB H HCR1 0.010
   HEC C1B C CR5 0.030
   HEC C2B C CR5 0.020
   HEC CMB C CH3 -0.100
   HEC HMB1 H HCH3 0.020
   HEC HMB2 H HCH3 0.020
   HEC HMB3 H HCH3 0.020
   HEC C3B C CR5 -0.050
   HEC CAB C CH2 0.020
   HEC HAB H HC1 0.010
   HEC CBB C CH3 -0.060
   HEC HBB1 H HCH3 0.010
   HEC HBB2 H HCH3 0.010
   HEC HBB3 H HCH3 0.010
   HEC C4B C CR5 0.020
   HEC NB N NPB -0.180
   HEC CHC C CR1H 0.030
   HEC HHC H HCR1 0.010
   HEC C1C C CR5 0.030
   HEC C2C C CR5 0.020
   HEC CMC C CH3 -0.100
   HEC HMC1 H HCH3 0.020
   HEC HMC2 H HCH3 0.020
   HEC HMC3 H HCH3 0.020
   HEC C3C C CR5 -0.050
   HEC CAC C CH2 0.020
   HEC HAC H HCH2 0.010
   HEC CBC C CH3 -0.060
   HEC HBC1 H HCH3 0.010
   HEC HBC2 H HCH3 0.010
   HEC HBC3 H HCH3 0.010
   HEC C4C C CR5 0.020
   HEC NC N NPA -0.180
   HEC CHD C CR1H 0.030
   HEC HHD H HCR1 0.010
   HEC C1D C CR5 0.030
   HEC C2D C CR5 0.020
   HEC CMD C CH3 -0.100
   HEC HMD1 H HCH3 0.020
   HEC HMD2 H HCH3 0.020
   HEC HMD3 H HCH3 0.020
   HEC C3D C CR5 -0.020
   HEC CAD C CH2 -0.010
   HEC HAD1 H HCH2 0.025
   HEC HAD2 H HCH2 0.025
   HEC CBD C CH2 -0.020
   HEC HBD1 H HCH2 0.000
   HEC HBD2 H HCH2 0.000
   HEC CGD C C 0.300
   HEC O1D O OC -0.210
   HEC O2D O OC -0.210
   HEC C4D C CR5 0.020
   HEC ND N NPB -0.180
   HEC FE FE FE 0.240

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
   HEC CHA n/a C1A START
   HEC HHA CHA . .
   HEC C1A CHA C2A .
   HEC C2A C1A C3A .
   HEC CAA C2A CBA .
   HEC HAA1 CAA . .
   HEC HAA2 CAA . .
   HEC CBA CAA CGA .
   HEC HBA1 CBA . .
   HEC HBA2 CBA . .
   HEC CGA CBA O2A .
   HEC O1A CGA . .
   HEC O2A CGA . .
   HEC C3A C2A C4A .
   HEC CMA C3A HMA3 .
   HEC HMA1 CMA . .
   HEC HMA2 CMA . .
   HEC HMA3 CMA . .
   HEC C4A C3A CHB .
   HEC NA C4A . .
   HEC CHB C4A C1B .
   HEC HHB CHB . .
   HEC C1B CHB C2B .
   HEC C2B C1B C3B .
   HEC CMB C2B HMB3 .
   HEC HMB1 CMB . .
   HEC HMB2 CMB . .
   HEC HMB3 CMB . .
   HEC C3B C2B C4B .
   HEC CAB C3B CBB .
   HEC HAB CAB . .
   HEC CBB CAB HBB3 .
   HEC HBB1 CBB . .
   HEC HBB2 CBB . .
   HEC HBB3 CBB . .
   HEC C4B C3B CHC .
   HEC NB C4B . .
   HEC CHC C4B C1C .
   HEC HHC CHC . .
   HEC C1C CHC C2C .
   HEC C2C C1C C3C .
   HEC CMC C2C HMC3 .
   HEC HMC1 CMC . .
   HEC HMC2 CMC . .
   HEC HMC3 CMC . .
   HEC C3C C2C C4C .
   HEC CAC C3C CBC .
   HEC HAC CAC . .
   HEC CBC CAC HBC3 .
   HEC HBC1 CBC . .
   HEC HBC2 CBC . .
   HEC HBC3 CBC . .
   HEC C4C C3C CHD .
   HEC NC C4C . .
   HEC CHD C4C C1D .
   HEC HHD CHD . .
   HEC C1D CHD C2D .
   HEC C2D C1D C3D .
   HEC CMD C2D HMD3 .
   HEC HMD1 CMD . .
   HEC HMD2 CMD . .
   HEC HMD3 CMD . .
   HEC C3D C2D C4D .
   HEC CAD C3D CBD .
   HEC HAD1 CAD . .
   HEC HAD2 CAD . .
   HEC CBD CAD CGD .
   HEC HBD1 CBD . .
   HEC HBD2 CBD . .
   HEC CGD CBD O2D .
   HEC O1D CGD . .
   HEC O2D CGD . .
   HEC C4D C3D ND .
   HEC ND C4D FE .
   HEC FE ND . END
   HEC C4D CHA . ADD
   HEC C1A NA . ADD
   HEC C1B NB . ADD
   HEC C1C NC . ADD
   HEC C1D ND . ADD
   HEC FE NA . ADD
   HEC FE NB . ADD
   HEC FE NC . 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
   HEC CHA C1A coval 1.378 0.020
   HEC CHA HHA coval 0.980 0.020
   HEC C1A C2A coval 1.449 0.020
   HEC C1A NA coval 1.384 0.020
   HEC C2A CAA coval 1.544 0.020
   HEC C2A C3A coval 1.334 0.020
   HEC CAA CBA coval 1.525 0.020
   HEC CAA HAA1 coval 0.970 0.020
   HEC CAA HAA2 coval 0.970 0.020
   HEC CBA CGA coval 1.506 0.020
   HEC CBA HBA1 coval 0.970 0.020
   HEC CBA HBA2 coval 0.970 0.020
   HEC CGA O1A coval 1.258 0.020
   HEC CGA O2A coval 1.258 0.020
   HEC C3A CMA coval 1.544 0.020
   HEC C3A C4A coval 1.449 0.020
   HEC CMA HMA1 coval 0.980 0.020
   HEC CMA HMA2 coval 0.980 0.020
   HEC CMA HMA3 coval 0.980 0.020
   HEC C4A NA coval 1.384 0.020
   HEC C4A CHB coval 1.378 0.020
   HEC CHB C1B coval 1.378 0.020
   HEC CHB HHB coval 0.980 0.020
   HEC C1B C2B coval 1.449 0.020
   HEC C1B NB coval 1.384 0.020
   HEC C2B CMB coval 1.544 0.020
   HEC C2B C3B coval 1.334 0.020
   HEC CMB HMB1 coval 0.970 0.020
   HEC CMB HMB2 coval 0.970 0.020
   HEC CMB HMB3 coval 0.970 0.020
   HEC C3B CAB coval 1.544 0.020
   HEC C3B C4B coval 1.449 0.020
   HEC CAB CBB coval 1.544 0.020
   HEC CAB HAB coval 0.960 0.020
   HEC CBB HBB1 coval 0.970 0.020
   HEC CBB HBB2 coval 0.970 0.020
   HEC CBB HBB3 coval 0.970 0.020
   HEC C4B NB coval 1.384 0.020
   HEC C4B CHC coval 1.378 0.020
   HEC CHC C1C coval 1.378 0.020
   HEC CHC HHC coval 0.980 0.020
   HEC C1C C2C coval 1.449 0.020
   HEC C1C NC coval 1.384 0.020
   HEC C2C CMC coval 1.544 0.020
   HEC C2C C3C coval 1.334 0.020
   HEC CMC HMC1 coval 0.970 0.020
   HEC CMC HMC2 coval 0.970 0.020
   HEC CMC HMC3 coval 0.970 0.020
   HEC C3C CAC coval 1.544 0.020
   HEC C3C C4C coval 1.449 0.020
   HEC CAC CBC coval 1.544 0.020
   HEC CAC HAC coval 0.960 0.020
   HEC CBC HBC1 coval 0.970 0.020
   HEC CBC HBC2 coval 0.970 0.020
   HEC CBC HBC3 coval 0.970 0.020
   HEC C4C NC coval 1.384 0.020
   HEC C4C CHD coval 1.378 0.020
   HEC CHD HHD coval 0.980 0.020
   HEC C3D C2D coval 1.544 0.020
   HEC C2D CMD coval 1.544 0.020
   HEC C2D C1D coval 1.449 0.020
   HEC CMD HMD1 coval 0.980 0.020
   HEC CMD HMD2 coval 0.980 0.020
   HEC CMD HMD3 coval 0.980 0.020
   HEC C1D ND coval 1.384 0.020
   HEC C1D CHD coval 1.378 0.020
   HEC CHA C4D coval 1.378 0.020
   HEC C4D C3D coval 1.449 0.020
   HEC C4D ND coval 1.384 0.020
   HEC C3D CAD coval 1.544 0.020
   HEC CAD CBD coval 1.525 0.020
   HEC CAD HAD1 coval 0.970 0.020
   HEC CAD HAD2 coval 0.970 0.020
   HEC CBD CGD coval 1.506 0.020
   HEC CBD HBD1 coval 0.970 0.020
   HEC CBD HBD2 coval 0.970 0.020
   HEC CGD O1D coval 1.258 0.020
   HEC CGD O2D coval 1.258 0.020
   HEC FE NA metal 2.080 0.070
   HEC FE NB metal 2.080 0.070
   HEC FE NC metal 2.080 0.070
   HEC FE ND metal 2.080 0.070

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
   HEC C4D CHA C1A 126.000 3.000
   HEC HHA CHA C1A 117.000 3.000
   HEC HHA CHA C4D 117.000 3.000
   HEC CHA C1A C2A 126.000 3.000
   HEC CHA C1A NA 126.000 3.000
   HEC C2A C1A NA 108.000 3.000
   HEC CHA C4D C3D 126.000 3.000
   HEC CHA C4D ND 126.000 3.000
   HEC C3D C4D ND 108.000 3.000
   HEC C1A C2A CAA 126.000 3.000
   HEC CAA C2A C3A 126.000 3.000
   HEC C1A C2A C3A 108.000 3.000
   HEC C4D C3D CAD 126.000 3.000
   HEC CAD C3D C2D 126.000 3.000
   HEC C4D C3D C2D 108.000 3.000
   HEC C2A CAA CBA 109.500 3.000
   HEC C2A CAA HAA1 109.500 3.000
   HEC C2A CAA HAA2 109.500 3.000
   HEC CBA CAA HAA1 109.500 3.000
   HEC CBA CAA HAA2 109.500 3.000
   HEC HAA1 CAA HAA2 109.500 3.000
   HEC C3D CAD CBD 109.500 3.000
   HEC C3D CAD HAD1 109.500 3.000
   HEC C3D CAD HAD2 109.500 3.000
   HEC CBD CAD HAD1 109.500 3.000
   HEC CBD CAD HAD2 109.500 3.000
   HEC HAD1 CAD HAD2 109.500 3.000
   HEC CAA CBA CGA 109.500 3.000
   HEC CAA CBA HBA1 109.500 3.000
   HEC CAA CBA HBA2 109.500 3.000
   HEC CGA CBA HBA1 109.500 3.000
   HEC CGA CBA HBA2 109.500 3.000
   HEC HBA1 CBA HBA2 109.500 3.000
   HEC CAD CBD CGD 109.500 3.000
   HEC CAD CBD HBD1 109.500 3.000
   HEC CAD CBD HBD2 109.500 3.000
   HEC CGD CBD HBD1 109.500 3.000
   HEC CGD CBD HBD2 109.500 3.000
   HEC HBD1 CBD HBD2 109.500 3.000
   HEC CBA CGA O1A 118.500 3.000
   HEC CBA CGA O2A 118.500 3.000
   HEC O1A CGA O2A 123.000 3.000
   HEC CBD CGD O1D 118.500 3.000
   HEC CBD CGD O2D 118.500 3.000
   HEC O1D CGD O2D 123.000 3.000
   HEC C2A C3A CMA 126.000 3.000
   HEC C2A C3A C4A 108.000 3.000
   HEC C4A C3A CMA 126.000 3.000
   HEC C3D C2D CMD 126.000 3.000
   HEC C3D C2D C1D 108.000 3.000
   HEC C1D C2D CMD 126.000 3.000
   HEC C3A CMA HMA1 109.500 3.000
   HEC C3A CMA HMA2 109.500 3.000
   HEC C3A CMA HMA3 109.500 3.000
   HEC HMA1 CMA HMA2 109.500 3.000
   HEC HMA1 CMA HMA3 109.500 3.000
   HEC HMA2 CMA HMA3 109.500 3.000
   HEC C2D CMD HMD1 109.500 3.000
   HEC C2D CMD HMD2 109.500 3.000
   HEC C2D CMD HMD3 109.500 3.000
   HEC HMD1 CMD HMD2 109.500 3.000
   HEC HMD1 CMD HMD3 109.500 3.000
   HEC HMD2 CMD HMD3 109.500 3.000
   HEC C3A C4A CHB 126.000 3.000
   HEC C3A C4A NA 108.000 3.000
   HEC NA C4A CHB 126.000 3.000
   HEC C2D C1D CHD 126.000 3.000
   HEC C2D C1D ND 108.000 3.000
   HEC ND C1D CHD 126.000 3.000
   HEC C1A NA C4A 108.000 3.000
   HEC C1A NA FE 126.000 10.000
   HEC FE NA C4A 126.000 10.000
   HEC C4D ND C1D 108.000 3.000
   HEC C4D ND FE 126.000 10.000
   HEC FE ND C1D 126.000 10.000
   HEC C4A CHB C1B 126.000 3.000
   HEC HHB CHB C1B 117.000 3.000
   HEC HHB CHB C4A 117.000 3.000
   HEC C4C CHD C1D 126.000 3.000
   HEC HHD CHD C1D 117.000 3.000
   HEC HHD CHD C4C 117.000 3.000
   HEC CHB C1B C2B 126.000 3.000
   HEC CHB C1B NB 126.000 3.000
   HEC C2B C1B NB 108.000 3.000
   HEC CHC C1C C2C 126.000 3.000
   HEC CHC C1C NC 126.000 3.000
   HEC C2C C1C NC 108.000 3.000
   HEC C1B C2B CMB 126.000 3.000
   HEC CMB C2B C3B 126.000 3.000
   HEC C1B C2B C3B 108.000 3.000
   HEC C1C C2C CMC 126.000 3.000
   HEC CMC C2C C3C 126.000 3.000
   HEC C1C C2C C3C 108.000 3.000
   HEC C2B CMB HMB1 109.500 3.000
   HEC C2B CMB HMB2 109.500 3.000
   HEC C2B CMB HMB3 109.500 3.000
   HEC HMB1 CMB HMB2 109.500 3.000
   HEC HMB1 CMB HMB3 109.500 3.000
   HEC HMB2 CMB HMB3 109.500 3.000
   HEC C2C CMC HMC1 109.500 3.000
   HEC C2C CMC HMC2 109.500 3.000
   HEC C2C CMC HMC3 109.500 3.000
   HEC HMC1 CMC HMC2 109.500 3.000
   HEC HMC1 CMC HMC3 109.500 3.000
   HEC HMC2 CMC HMC3 109.500 3.000
   HEC C2B C3B CAB 126.000 3.000
   HEC C4B C3B CAB 126.000 3.000
   HEC C4B C3B C2B 108.000 3.000
   HEC C2C C3C CAC 126.000 3.000
   HEC C4C C3C CAC 126.000 3.000
   HEC C4C C3C C2C 108.000 3.000
   HEC C3B CAB CBB 109.000 3.000
   HEC C3B CAB HAB 109.000 3.000
   HEC HAB CAB CBB 109.000 3.000
   HEC CAB CBB HBB1 109.000 3.000
   HEC CAB CBB HBB2 109.000 3.000
   HEC CAB CBB HBB3 109.000 3.000
   HEC HBB1 CBB HBB2 109.000 3.000
   HEC HBB1 CBB HBB3 109.000 3.000
   HEC HBB2 CBB HBB3 109.000 3.000
   HEC C3C CAC CBC 109.000 3.000
   HEC C3C CAC HAC 109.000 3.000
   HEC HAC CAC CBC 109.000 3.000
   HEC CAC CBC HBC1 109.000 3.000
   HEC CAC CBC HBC2 109.000 3.000
   HEC CAC CBC HBC3 109.000 3.000
   HEC HBC1 CBC HBC2 109.000 3.000
   HEC HBC1 CBC HBC3 109.000 3.000
   HEC HBC2 CBC HBC3 109.000 3.000
   HEC C3B C4B CHC 126.000 3.000
   HEC CHC C4B NB 126.000 3.000
   HEC NB C4B C3B 108.000 3.000
   HEC C3C C4C CHD 126.000 3.000
   HEC CHD C4C NC 126.000 3.000
   HEC NC C4C C3C 108.000 3.000
   HEC C4B NB C1B 108.000 3.000
   HEC C4B NB FE 126.000 10.000
   HEC FE NB C1B 126.000 10.000
   HEC C4C NC C1C 108.000 3.000
   HEC C4C NC FE 126.000 10.000
   HEC FE NC C1C 126.000 10.000
   HEC C4B CHC C1C 126.000 3.000
   HEC HHC CHC C1C 117.000 3.000
   HEC HHC CHC C4B 117.000 3.000
   HEC NA FE NB 90.000 10.000
   HEC NA FE ND 90.000 10.000
   HEC NB FE NC 90.000 10.000
   HEC NC FE ND 90.000 10.000
   HEC NB FE ND 180.000 10.000
   HEC NA FE NC 180.000 10.000

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
   HEC CONST_01 CHA C1A C2A C3A 180.000 0.000 0
   HEC chi1 C1A C2A CAA CBA 180.000 20.000 2
   HEC chi2 C2A CAA CBA CGA 180.000 20.000 2
   HEC chi3 CAA CBA CGA O2A 180.000 20.000 2
   HEC CONST_02 C1A C2A C3A C4A 0.000 0.000 0
   HEC hh1 C2A C3A CMA HMA3 0.000 20.000 3
   HEC CONST_03 C2A C3A C4A CHB 180.000 0.000 0
   HEC CONST_04 C3A C4A CHB C1B 180.000 0.000 0
   HEC CONST_05 C4A CHB C1B C2B 180.000 0.000 0
   HEC CONST_06 CHB C1B C2B C3B 180.000 0.000 0
   HEC hh2 C1B C2B CMB HMB3 0.000 20.000 3
   HEC CONST_07 C1B C2B C3B C4B 0.000 0.000 0
   HEC chi4 C2B C3B CAB CBB 60.000 10.000 2
   HEC hh3 C3B CAB CBB HBB2 180.000 20.000 2
   HEC CONST_08 C2B C3B C4B CHC 180.000 0.000 0
   HEC CONST_09 C3B C4B CHC C1C 180.000 0.000 0
   HEC CONST_10 C4B CHC C1C C2C 180.000 0.000 0
   HEC CONST_11 CHC C1C C2C C3C 180.000 0.000 0
   HEC hh4 C1C C2C CMC HMC3 0.000 20.000 3
   HEC CONST_12 C1C C2C C3C C4C 0.000 0.000 0
   HEC chi5 C2C C3C CAC CBC 60.000 10.000 2
   HEC hh5 C3C CAC CBC HBC2 180.000 20.000 2
   HEC CONST_13 C2C C3C C4C CHD 180.000 0.000 0
   HEC CONST_14 C3C C4C CHD C1D 180.000 0.000 0
   HEC CONST_15 C4C CHD C1D C2D 180.000 0.000 0
   HEC CONST_16 CHD C1D C2D C3D 180.000 0.000 0
   HEC hh6 C1D C2D CMD HMD3 0.000 20.000 3
   HEC CONST_17 C1D C2D C3D C4D 0.000 0.000 0
   HEC chi6 C2D C3D CAD CBD 180.000 20.000 2
   HEC chi7 C3D CAD CBD CGD 180.000 20.000 2
   HEC chi8 CAD CBD CGD O2D 180.000 20.000 2
   HEC CONST_18 C2D C3D C4D ND 0.000 0.000 0
   HEC CONST_19 C3D C4D ND FE 180.000 0.000 0
   HEC CONST_20 C2A C1A CHA HHA 0.000 0.000 0
   HEC CONST_21 C2B C1B CHB HHB 0.000 0.000 0
   HEC CONST_22 C2C C1C CHC HHC 0.000 0.000 0
   HEC CONST_23 C2D C1D CHD HHD 0.000 0.000 0

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
   HEC A C1A 0.020
   HEC A NA 0.020
   HEC A C4A 0.020
   HEC A C3A 0.020
   HEC A CMA 0.020
   HEC A C2A 0.020
   HEC A CAA 0.020
   HEC A CHA 0.020
   HEC A CHB 0.020
   HEC B C1B 0.020
   HEC B NB 0.020
   HEC B C4B 0.020
   HEC B C3B 0.020
   HEC B CMB 0.020
   HEC B C2B 0.020
   HEC B CAB 0.020
   HEC B CHB 0.020
   HEC B CHC 0.020
   HEC C C1C 0.020
   HEC C NC 0.020
   HEC C C4C 0.020
   HEC C C3C 0.020
   HEC C CMC 0.020
   HEC C C2C 0.020
   HEC C CAC 0.020
   HEC C CHC 0.020
   HEC C CHD 0.020
   HEC D C1D 0.020
   HEC D ND 0.020
   HEC D C4D 0.020
   HEC D C3D 0.020
   HEC D CMD 0.020
   HEC D C2D 0.020
   HEC D CAD 0.020
   HEC D CHD 0.020
   HEC D CHA 0.020
   HEC plan1 CBD 0.020
   HEC plan1 CGD 0.020
   HEC plan1 O1D 0.020
   HEC plan1 O2D 0.020
   HEC plan2 CBA 0.020
   HEC plan2 CGA 0.020
   HEC plan2 O1A 0.020
   HEC plan2 O2A 0.020
   HEC plan3 CHA 0.020
   HEC plan3 HHA 0.020
   HEC plan3 C1A 0.020
   HEC plan3 C4D 0.020
   HEC plan4 CHB 0.020
   HEC plan4 HHB 0.020
   HEC plan4 C1B 0.020
   HEC plan4 C4A 0.020
   HEC plan5 CHC 0.020
   HEC plan5 HHC 0.020
   HEC plan5 C1C 0.020
   HEC plan5 C4B 0.020
   HEC plan6 CHD 0.020
   HEC plan6 HHD 0.020
   HEC plan6 C1D 0.020
   HEC plan6 C4C 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   HEC A
   HEC B
   HEC C
   HEC D
   HEC plan1
   HEC plan2
   HEC plan3
   HEC plan4
   HEC plan5
   HEC plan6

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
   HEC . 'heme-C                              ' non-polymer 75 43 .

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

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

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

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

