data_2yld_qFit
_cell.length_a                    53.914
_cell.length_b                    53.914
_cell.length_c                    180.864
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 120.000
_cell.volume                      455287.673
_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     17.73
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              36.91
_refine.ls_d_res_high             1.20
_refine.pdbx_ls_sigma_F           1.31
_refine.ls_percent_reflns_obs     93.68
_refine.ls_number_reflns_obs      46528
_refine.ls_number_reflns_R_work   44529
_refine.ls_number_reflns_R_free   1999
_refine.ls_R_factor_obs           0.1876
_refine.ls_R_factor_R_work        0.1871
_refine.ls_R_factor_R_free        0.2000
_refine.ls_percent_reflns_R_free  4.30
_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             0.1540
_refine.pdbx_overall_phase_error  25.5771
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                21.22
_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 1799 0.0344 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2499 2.3592 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 240 0.1374 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 343 0.0172 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 686 16.1642 ? ?

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' 2.89 36.91 3745 0.1676 99.44 0.1886 168
   'X-RAY DIFFRACTION' 2.30 2.89 3492 0.1746 99.78 0.1572 157
   'X-RAY DIFFRACTION' 2.01 2.30 3436 0.1768 99.97 0.1663 155
   'X-RAY DIFFRACTION' 1.82 2.01 3347 0.1897 97.90 0.2147 149
   'X-RAY DIFFRACTION' 1.69 1.82 3354 0.1904 99.35 0.2308 151
   'X-RAY DIFFRACTION' 1.59 1.69 3369 0.1985 99.49 0.2111 151
   'X-RAY DIFFRACTION' 1.51 1.59 3357 0.2071 99.74 0.2586 151
   'X-RAY DIFFRACTION' 1.45 1.51 3342 0.2322 99.66 0.2688 150
   'X-RAY DIFFRACTION' 1.39 1.45 3335 0.2420 99.80 0.2673 150
   'X-RAY DIFFRACTION' 1.34 1.39 3312 0.2544 99.74 0.3178 149
   'X-RAY DIFFRACTION' 1.30 1.34 3266 0.2702 98.05 0.3039 145
   'X-RAY DIFFRACTION' 1.26 1.30 2904 0.2895 87.46 0.2941 131
   'X-RAY DIFFRACTION' 1.23 1.26 2363 0.3319 71.59 0.3618 106
   'X-RAY DIFFRACTION' 1.20 1.23 1907 0.3510 57.57 0.4213 86

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 covale 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.'
   C00005 covale HEC A 128 FE HEC B . FE . CMO A 129 O CMO C . O . 'Bond created based on atom type and distance.'
   C00006 covale HEC A 128 FE HEC B . FE . CMO A 129 C CMO C . C . '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
   ASC
   ASN
   ASP
   CMO
   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 ? -8.84863 32.09669 32.92247 1.000 16.79449 N ? A ? 1 N 1
   ATOM 2 CA . PHE A 2 ? -8.66491 33.51193 33.30761 1.000 16.41578 C ? A ? 1 CA 1
   ATOM 3 C . PHE A 2 ? -9.61382 34.42495 32.52342 1.000 17.50309 C ? A ? 1 C 1
   ATOM 4 O . PHE A 2 ? -9.59304 34.35285 31.28828 1.000 19.55572 O ? A ? 1 O 1
   ATOM 5 CB . PHE A 2 ? -7.13809 33.80354 33.07324 1.000 18.04408 C ? A ? 1 CB 1
   ATOM 6 CG . PHE A 2 ? -6.20527 32.80923 33.83452 1.000 15.64159 C ? A ? 1 CG 1
   ATOM 7 CD1 . PHE A 2 ? -6.34254 32.72013 35.18696 1.000 17.15081 C ? A ? 1 CD1 1
   ATOM 8 CD2 . PHE A 2 ? -5.27845 32.05427 33.16906 1.000 16.69223 C ? A ? 1 CD2 1
   ATOM 9 CE1 . PHE A 2 ? -5.51680 31.81096 35.89831 1.000 16.60614 C ? A ? 1 CE1 1
   ATOM 10 CE2 . PHE A 2 ? -4.48064 31.15693 33.85505 1.000 17.34167 C ? A ? 1 CE2 1
   ATOM 11 CZ . PHE A 2 ? -4.61980 31.04123 35.21859 1.000 17.72378 C ? A ? 1 CZ 1
   ATOM 12 HA . PHE A 2 ? -8.88491 33.70443 34.23251 1.000 19.73009 H ? A ? 1 HA 1
   ATOM 13 HB2 . PHE A 2 ? -6.94500 33.72962 32.12553 1.000 21.68405 H ? A ? 1 HB2 1
   ATOM 14 HB3 . PHE A 2 ? -6.93725 34.70027 33.38378 1.000 21.68405 H ? A ? 1 HB3 1
   ATOM 15 HD1 . PHE A 2 ? -6.96549 33.24507 35.63560 1.000 20.61212 H ? A ? 1 HD1 1
   ATOM 16 HD2 . PHE A 2 ? -5.18426 32.14525 32.24833 1.000 20.06184 H ? A ? 1 HD2 1
   ATOM 17 HE1 . PHE A 2 ? -5.58717 31.74063 36.82297 1.000 19.95852 H ? A ? 1 HE1 1
   ATOM 18 HE2 . PHE A 2 ? -3.85746 30.63789 33.39992 1.000 20.84116 H ? A ? 1 HE2 1
   ATOM 19 HZ . PHE A 2 ? -4.09507 30.42983 35.68308 1.000 21.29969 H ? A ? 1 HZ 1
   ATOM 20 N . ALA A 3 ? -10.37958 35.22412 33.23106 1.000 19.27271 N ? A ? 2 N 1
   ATOM 21 CA . ALA A 3 ? -11.34573 36.11204 32.50767 1.000 21.84161 C ? A ? 2 CA 1
   ATOM 22 C . ALA A 3 ? -10.60766 37.14690 31.69359 1.000 24.37552 C ? A ? 2 C 1
   ATOM 23 O . ALA A 3 ? -11.01106 37.46117 30.54431 1.000 27.57739 O ? A ? 2 O 1
   ATOM 24 CB . ALA A 3 ? -12.25793 36.75099 33.52440 1.000 23.63350 C ? A ? 2 CB 1
   ATOM 25 H . ALA A 3 ? -10.38094 35.28931 34.08859 1.000 23.15840 H ? A ? 2 H 1
   ATOM 26 HA . ALA A 3 ? -11.89071 35.59737 31.89203 1.000 26.24109 H ? A ? 2 HA 1
   ATOM 27 HB1 . ALA A 3 ? -12.88494 37.33157 33.06539 1.000 28.39136 H ? A ? 2 HB1 1
   ATOM 28 HB2 . ALA A 3 ? -12.73839 36.05485 33.99921 1.000 28.39136 H ? A ? 2 HB2 1
   ATOM 29 HB3 . ALA A 3 ? -11.72354 37.26797 34.14735 1.000 28.39136 H ? A ? 2 HB3 1
   ATOM 30 N . LYS A 4 ? -9.48257 37.66590 32.19980 1.000 21.86265 N ? A ? 3 N 1
   ATOM 31 CA . LYS A 4 ? -8.64849 38.68245 31.54761 1.000 22.10325 C ? A ? 3 CA 1
   ATOM 32 C . LYS A 4 ? -7.18284 38.28283 31.67798 1.000 22.44466 C ? A ? 3 C 1
   ATOM 33 O . LYS A 4 ? -6.82352 37.53009 32.59107 1.000 20.59012 O ? A ? 3 O 1
   ATOM 34 H . LYS A 4 ? -9.16459 37.43094 32.96353 1.000 26.26634 H ? A ? 3 H 1
   ATOM 35 HA . LYS A 4 ? -8.88921 38.72410 30.60888 1.000 26.55506 H ? A ? 3 HA 1
   ATOM 36 CB A LYS A 4 ? -8.83504 40.07927 32.17010 0.534 24.75213 C ? A ? 3 CB 1
   ATOM 37 CG A LYS A 4 ? -10.32428 40.51823 32.08250 0.534 27.12277 C ? A ? 3 CG 1
   ATOM 38 CD A LYS A 4 ? -10.46350 41.98563 32.40132 0.534 42.00077 C ? A ? 3 CD 1
   ATOM 39 CE A LYS A 4 ? -9.88186 42.26217 33.75257 0.534 43.48992 C ? A ? 3 CE 1
   ATOM 40 NZ A LYS A 4 ? -10.44088 41.40934 34.81610 0.534 51.40828 N ? A ? 3 NZ 1
   ATOM 41 HB2 A LYS A 4 ? -8.57291 40.05617 33.10373 0.534 29.73371 H ? A ? 3 HB2 1
   ATOM 42 HB3 A LYS A 4 ? -8.29287 40.72397 31.68915 0.534 29.73371 H ? A ? 3 HB3 1
   ATOM 43 HG2 A LYS A 4 ? -10.65595 40.36461 31.18401 0.534 32.57849 H ? A ? 3 HG2 1
   ATOM 44 HG3 A LYS A 4 ? -10.85026 40.01216 32.72135 0.534 32.57849 H ? A ? 3 HG3 1
   ATOM 45 HD2 A LYS A 4 ? -9.98595 42.51213 31.74128 0.534 50.43208 H ? A ? 3 HD2 1
   ATOM 46 HD3 A LYS A 4 ? -11.40139 42.23306 32.40766 0.534 50.43208 H ? A ? 3 HD3 1
   ATOM 47 HE2 A LYS A 4 ? -8.92486 42.10728 33.71998 0.534 52.21906 H ? A ? 3 HE2 1
   ATOM 48 HE3 A LYS A 4 ? -10.06057 43.18603 33.98806 0.534 52.21906 H ? A ? 3 HE3 1
   ATOM 49 HZ1 A LYS A 4 ? -10.13066 41.66879 35.60892 0.534 61.72109 H ? A ? 3 HZ1 1
   ATOM 50 HZ2 A LYS A 4 ? -11.32882 41.46974 34.81953 0.534 61.72109 H ? A ? 3 HZ2 1
   ATOM 51 HZ3 A LYS A 4 ? -10.20961 40.56091 34.67902 0.534 61.72109 H ? A ? 3 HZ3 1
   ATOM 52 CB B LYS A 4 ? -8.82545 40.07771 32.17304 0.466 24.72236 C ? A ? 3 CB 1
   ATOM 53 CG B LYS A 4 ? -10.25788 40.57150 31.95753 0.466 27.83257 C ? A ? 3 CG 1
   ATOM 54 CD B LYS A 4 ? -10.52008 41.86158 32.75595 0.466 41.07241 C ? A ? 3 CD 1
   ATOM 55 CE B LYS A 4 ? -11.75483 42.64623 32.20847 0.466 32.71082 C ? A ? 3 CE 1
   ATOM 56 NZ B LYS A 4 ? -12.97483 41.87519 32.13440 0.466 43.11596 N ? A ? 3 NZ 1
   ATOM 57 HB2 B LYS A 4 ? -8.65150 40.03217 33.12623 0.466 29.69799 H ? A ? 3 HB2 1
   ATOM 58 HB3 B LYS A 4 ? -8.21378 40.70293 31.75368 0.466 29.69799 H ? A ? 3 HB3 1
   ATOM 59 HG2 B LYS A 4 ? -10.39734 40.75896 31.01609 0.466 33.43025 H ? A ? 3 HG2 1
   ATOM 60 HG3 B LYS A 4 ? -10.88267 39.89251 32.25670 0.466 33.43025 H ? A ? 3 HG3 1
   ATOM 61 HD2 B LYS A 4 ? -10.69237 41.63421 33.68306 0.466 49.31804 H ? A ? 3 HD2 1
   ATOM 62 HD3 B LYS A 4 ? -9.74291 42.43879 32.69484 0.466 49.31804 H ? A ? 3 HD3 1
   ATOM 63 HE2 B LYS A 4 ? -11.92317 43.40308 32.79133 0.466 39.28415 H ? A ? 3 HE2 1
   ATOM 64 HE3 B LYS A 4 ? -11.55115 42.95651 31.31228 0.466 39.28415 H ? A ? 3 HE3 1
   ATOM 65 HZ1 B LYS A 4 ? -13.64169 42.38778 31.84347 0.466 51.77031 H ? A ? 3 HZ1 1
   ATOM 66 HZ2 B LYS A 4 ? -12.86968 41.19217 31.57357 0.466 51.77031 H ? A ? 3 HZ2 1
   ATOM 67 HZ3 B LYS A 4 ? -13.18404 41.55838 32.93937 0.466 51.77031 H ? A ? 3 HZ3 1
   ATOM 68 N A PRO A 5 ? -6.30594 38.84358 30.84792 0.410 20.56612 N ? A ? 4 N 1
   ATOM 69 CA A PRO A 5 ? -4.88613 38.51670 30.97626 0.410 21.59462 C ? A ? 4 CA 1
   ATOM 70 C A PRO A 5 ? -4.33164 38.85743 32.33171 0.410 20.50323 C ? A ? 4 C 1
   ATOM 71 O A PRO A 5 ? -3.42863 38.14734 32.82423 0.410 20.19935 O ? A ? 4 O 1
   ATOM 72 CB A PRO A 5 ? -4.20948 39.33190 29.85988 0.410 25.94403 C ? A ? 4 CB 1
   ATOM 73 CG A PRO A 5 ? -5.16218 40.38845 29.54008 0.410 22.76035 C ? A ? 4 CG 1
   ATOM 74 CD A PRO A 5 ? -6.54513 39.83341 29.77261 0.410 20.75740 C ? A ? 4 CD 1
   ATOM 75 HA A PRO A 5 ? -4.74783 37.57469 30.79080 0.410 25.94470 H ? A ? 4 HA 1
   ATOM 76 HB2 A PRO A 5 ? -3.37324 39.70336 30.18180 0.410 31.16399 H ? A ? 4 HB2 1
   ATOM 77 HB3 A PRO A 5 ? -4.04622 38.76584 29.08929 0.410 31.16399 H ? A ? 4 HB3 1
   ATOM 78 HG2 A PRO A 5 ? -5.00229 41.15058 30.11843 0.410 27.34358 H ? A ? 4 HG2 1
   ATOM 79 HG3 A PRO A 5 ? -5.05391 40.64798 28.61174 0.410 27.34358 H ? A ? 4 HG3 1
   ATOM 80 HD2 A PRO A 5 ? -7.15584 40.52763 30.06585 0.410 24.94004 H ? A ? 4 HD2 1
   ATOM 81 HD3 A PRO A 5 ? -6.88902 39.40503 28.97315 0.410 24.94004 H ? A ? 4 HD3 1
   ATOM 82 N B PRO A 5 ? -6.30261 38.82226 30.83423 0.590 20.53788 N ? A ? 4 N 1
   ATOM 83 CA B PRO A 5 ? -4.87278 38.55951 30.99277 0.590 21.63218 C ? A ? 4 CA 1
   ATOM 84 C B PRO A 5 ? -4.36264 38.86580 32.37129 0.590 21.07310 C ? A ? 4 C 1
   ATOM 85 O B PRO A 5 ? -3.49341 38.16664 32.92661 0.590 20.23894 O ? A ? 4 O 1
   ATOM 86 CB B PRO A 5 ? -4.20355 39.48717 29.95535 0.590 25.78856 C ? A ? 4 CB 1
   ATOM 87 CG B PRO A 5 ? -5.33119 39.77895 28.92228 0.590 24.30330 C ? A ? 4 CG 1
   ATOM 88 CD B PRO A 5 ? -6.64938 39.33091 29.48699 0.590 29.97239 C ? A ? 4 CD 1
   ATOM 89 HA B PRO A 5 ? -4.70066 37.63258 30.76456 0.590 25.98977 H ? A ? 4 HA 1
   ATOM 90 HB2 B PRO A 5 ? -3.90120 40.30330 30.38363 0.590 30.97743 H ? A ? 4 HB2 1
   ATOM 91 HB3 B PRO A 5 ? -3.45428 39.03458 29.53745 0.590 30.97743 H ? A ? 4 HB3 1
   ATOM 92 HG2 B PRO A 5 ? -5.35415 40.73232 28.74491 0.590 29.19512 H ? A ? 4 HG2 1
   ATOM 93 HG3 B PRO A 5 ? -5.13960 39.29385 28.10444 0.590 29.19512 H ? A ? 4 HG3 1
   ATOM 94 HD2 B PRO A 5 ? -7.26692 40.07628 29.55000 0.590 35.99803 H ? A ? 4 HD2 1
   ATOM 95 HD3 B PRO A 5 ? -7.03426 38.62630 28.94267 0.590 35.99803 H ? A ? 4 HD3 1
   ATOM 96 N . GLU A 6 ? -4.82720 39.90432 32.97978 1.000 19.71360 N ? A ? 5 N 1
   ATOM 97 CA . GLU A 6 ? -4.35819 40.26225 34.26078 1.000 18.83179 C ? A ? 5 CA 1
   ATOM 98 C . GLU A 6 ? -4.59081 39.11884 35.25444 1.000 17.42271 C ? A ? 5 C 1
   ATOM 99 O . GLU A 6 ? -3.87430 39.01591 36.24010 1.000 19.46889 O ? A ? 5 O 1
   ATOM 100 CB . GLU A 6 ? -5.07788 41.50335 34.79483 1.000 21.88933 C ? A ? 5 CB 1
   ATOM 101 CG . GLU A 6 ? -4.69068 42.83896 34.20310 1.000 34.00509 C ? A ? 5 CG 1
   ATOM 102 CD . GLU A 6 ? -5.41497 43.19033 32.88642 1.000 42.83731 C ? A ? 5 CD 1
   ATOM 103 OE1 . GLU A 6 ? -6.12184 42.34199 32.19291 1.000 22.60306 O ? A ? 5 OE1 1
   ATOM 104 OE2 . GLU A 6 ? -5.24177 44.42556 32.62913 1.000 33.05080 O ? A ? 5 OE2 1
   ATOM 105 HA . GLU A 6 ? -3.41317 40.46684 34.18349 1.000 22.62931 H ? A ? 5 HA 1
   ATOM 106 HB2 . GLU A 6 ? -6.02752 41.38950 34.63319 1.000 26.29836 H ? A ? 5 HB2 1
   ATOM 107 HB3 . GLU A 6 ? -4.90795 41.55892 35.74821 1.000 26.29836 H ? A ? 5 HB3 1
   ATOM 108 HG2 . GLU A 6 ? -4.89947 43.53441 34.84627 1.000 40.83726 H ? A ? 5 HG2 1
   ATOM 109 HG3 . GLU A 6 ? -3.73816 42.83162 34.01990 1.000 40.83726 H ? A ? 5 HG3 1
   ATOM 110 H A GLU A 6 ? -5.44576 40.41880 32.67598 0.410 23.68748 H ? A ? 5 H 1
   ATOM 111 H B GLU A 6 ? -5.42945 40.43009 32.66282 0.590 23.68748 H ? A ? 5 H 1
   ATOM 112 N A ASP A 7 ? -5.66513 38.34000 35.10629 0.332 17.01695 N ? A ? 6 N 1
   ATOM 113 CA A ASP A 7 ? -5.95490 37.31599 36.11782 0.332 15.98664 C ? A ? 6 CA 1
   ATOM 114 C A ASP A 7 ? -4.92289 36.20163 36.06564 0.332 17.34916 C ? A ? 6 C 1
   ATOM 115 O A ASP A 7 ? -4.57578 35.58479 37.09302 0.332 14.93477 O ? A ? 6 O 1
   ATOM 116 CB A ASP A 7 ? -7.30287 36.71117 35.83277 0.332 16.78906 C ? A ? 6 CB 1
   ATOM 117 CG A ASP A 7 ? -8.37794 37.75682 35.89188 0.332 19.08850 C ? A ? 6 CG 1
   ATOM 118 OD1 A ASP A 7 ? -8.58561 38.20584 37.03924 0.332 20.68764 O ? A ? 6 OD1 1
   ATOM 119 OD2 A ASP A 7 ? -9.01927 38.03571 34.85854 0.332 19.10470 O ? A ? 6 OD2 1
   ATOM 120 H A ASP A 7 ? -6.22375 38.38057 34.45369 0.332 20.45150 H ? A ? 6 H 1
   ATOM 121 HA A ASP A 7 ? -5.94916 37.73004 36.99499 0.332 19.21512 H ? A ? 6 HA 1
   ATOM 122 HB2 A ASP A 7 ? -7.30123 36.32035 34.94499 0.332 20.17802 H ? A ? 6 HB2 1
   ATOM 123 HB3 A ASP A 7 ? -7.49860 36.02981 36.49484 0.332 20.17802 H ? A ? 6 HB3 1
   ATOM 124 N B ASP A 7 ? -5.65659 38.34226 35.06283 0.265 17.09964 N ? A ? 6 N 1
   ATOM 125 CA B ASP A 7 ? -5.90270 37.24115 35.98020 0.265 16.85037 C ? A ? 6 CA 1
   ATOM 126 C B ASP A 7 ? -4.86108 36.14426 35.79901 0.265 15.87996 C ? A ? 6 C 1
   ATOM 127 O B ASP A 7 ? -4.45545 35.51472 36.78909 0.265 16.01440 O ? A ? 6 O 1
   ATOM 128 CB B ASP A 7 ? -7.29458 36.68201 35.76970 0.265 16.64858 C ? A ? 6 CB 1
   ATOM 129 CG B ASP A 7 ? -8.35449 37.75570 35.89883 0.265 19.12914 C ? A ? 6 CG 1
   ATOM 130 OD1 B ASP A 7 ? -8.44911 38.30331 37.01573 0.265 20.80436 O ? A ? 6 OD1 1
   ATOM 131 OD2 B ASP A 7 ? -9.09336 37.97989 34.92128 0.265 19.03386 O ? A ? 6 OD2 1
   ATOM 132 H B ASP A 7 ? -6.23171 38.43108 34.42963 0.265 20.55072 H ? A ? 6 H 1
   ATOM 133 HA B ASP A 7 ? -5.84918 37.57374 36.88982 0.265 20.25160 H ? A ? 6 HA 1
   ATOM 134 HB2 B ASP A 7 ? -7.35502 36.29998 34.88016 0.265 20.00945 H ? A ? 6 HB2 1
   ATOM 135 HB3 B ASP A 7 ? -7.46971 35.99960 36.43644 0.265 20.00945 H ? A ? 6 HB3 1
   ATOM 136 N C ASP A 7 ? -5.65819 38.35149 35.02028 0.403 17.13764 N ? A ? 6 N 1
   ATOM 137 CA C ASP A 7 ? -5.85633 37.18816 35.87013 0.403 17.18864 C ? A ? 6 CA 1
   ATOM 138 C C ASP A 7 ? -4.77486 36.13054 35.61386 0.403 13.78814 C ? A ? 6 C 1
   ATOM 139 O C ASP A 7 ? -4.37831 35.45654 36.58289 0.403 15.19062 O ? A ? 6 O 1
   ATOM 140 CB C ASP A 7 ? -7.29929 36.66672 35.85053 0.403 16.53742 C ? A ? 6 CB 1
   ATOM 141 CG C ASP A 7 ? -8.34297 37.79320 36.18802 0.403 18.96103 C ? A ? 6 CG 1
   ATOM 142 OD1 C ASP A 7 ? -8.14159 38.52631 37.15509 0.403 23.50853 O ? A ? 6 OD1 1
   ATOM 143 OD2 C ASP A 7 ? -9.39310 37.87121 35.53404 0.403 19.24372 O ? A ? 6 OD2 1
   ATOM 144 H C ASP A 7 ? -6.24821 38.47935 34.40780 0.403 20.59632 H ? A ? 6 H 1
   ATOM 145 HA C ASP A 7 ? -5.75842 37.45225 36.79834 0.403 20.65752 H ? A ? 6 HA 1
   ATOM 146 HB2 C ASP A 7 ? -7.50129 36.32258 34.96641 0.403 19.87606 H ? A ? 6 HB2 1
   ATOM 147 HB3 C ASP A 7 ? -7.39179 35.96154 36.51013 0.403 19.87606 H ? A ? 6 HB3 1
   ATOM 148 N A ALA A 8 ? -4.38244 35.97994 34.89731 0.332 11.68059 N ? A ? 7 N 1
   ATOM 149 CA A ALA A 8 ? -3.30232 35.00506 34.75579 0.332 11.98339 C ? A ? 7 CA 1
   ATOM 150 C A ALA A 8 ? -2.00485 35.55087 35.28013 0.332 14.58210 C ? A ? 7 C 1
   ATOM 151 O A ALA A 8 ? -1.22005 34.87913 35.99451 0.332 13.70435 O ? A ? 7 O 1
   ATOM 152 CB A ALA A 8 ? -3.15785 34.77635 33.26784 0.332 13.39916 C ? A ? 7 CB 1
   ATOM 153 H A ALA A 8 ? -4.61124 36.37096 34.16631 0.332 14.04786 H ? A ? 7 H 1
   ATOM 154 HA A ALA A 8 ? -3.50444 34.19006 35.24140 0.332 14.41122 H ? A ? 7 HA 1
   ATOM 155 HB1 A ALA A 8 ? -2.48008 34.09907 33.11677 0.332 16.11015 H ? A ? 7 HB1 1
   ATOM 156 HB2 A ALA A 8 ? -4.00878 34.47834 32.91005 0.332 16.11015 H ? A ? 7 HB2 1
   ATOM 157 HB3 A ALA A 8 ? -2.89420 35.60835 32.84457 0.332 16.11015 H ? A ? 7 HB3 1
   ATOM 158 N B ALA A 8 ? -4.43076 35.88658 34.56534 0.265 14.57885 N ? A ? 7 N 1
   ATOM 159 CA B ALA A 8 ? -3.34235 34.93168 34.31516 0.265 13.63528 C ? A ? 7 CA 1
   ATOM 160 C B ALA A 8 ? -2.02323 35.43218 34.89942 0.265 12.76710 C ? A ? 7 C 1
   ATOM 161 O B ALA A 8 ? -1.31760 34.71321 35.63346 0.265 15.84147 O ? A ? 7 O 1
   ATOM 162 CB B ALA A 8 ? -3.21041 34.70875 32.80943 0.265 14.22374 C ? A ? 7 CB 1
   ATOM 163 H B ALA A 8 ? -4.74873 36.24851 33.85295 0.265 17.52578 H ? A ? 7 H 1
   ATOM 164 HA B ALA A 8 ? -3.55298 34.08590 34.74083 0.265 16.39349 H ? A ? 7 HA 1
   ATOM 165 HB1 B ALA A 8 ? -2.51242 34.05508 32.64693 0.265 17.09964 H ? A ? 7 HB1 1
   ATOM 166 HB2 B ALA A 8 ? -4.05588 34.38290 32.46316 0.265 17.09964 H ? A ? 7 HB2 1
   ATOM 167 HB3 B ALA A 8 ? -2.98113 35.55005 32.38453 0.265 17.09964 H ? A ? 7 HB3 1
   ATOM 168 N C ALA A 8 ? -4.26213 35.94955 34.39441 0.403 14.84598 N ? A ? 7 N 1
   ATOM 169 CA C ALA A 8 ? -3.13664 35.03212 34.24846 0.403 14.20116 C ? A ? 7 CA 1
   ATOM 170 C C ALA A 8 ? -1.94141 35.49895 35.05542 0.403 15.37542 C ? A ? 7 C 1
   ATOM 171 O C ALA A 8 ? -1.07922 34.66791 35.42235 0.403 12.73844 O ? A ? 7 O 1
   ATOM 172 CB C ALA A 8 ? -2.78638 34.80509 32.77100 0.403 13.50238 C ? A ? 7 CB 1
   ATOM 173 H C ALA A 8 ? -4.53536 36.32799 33.67211 0.403 17.84633 H ? A ? 7 H 1
   ATOM 174 HA C ALA A 8 ? -3.39577 34.16176 34.58937 0.403 17.07254 H ? A ? 7 HA 1
   ATOM 175 HB1 C ALA A 8 ? -1.99461 34.24742 32.71624 0.403 16.23401 H ? A ? 7 HB1 1
   ATOM 176 HB2 C ALA A 8 ? -3.53196 34.36483 32.33374 0.403 16.23401 H ? A ? 7 HB2 1
   ATOM 177 HB3 C ALA A 8 ? -2.61645 35.66292 32.35131 0.403 16.23401 H ? A ? 7 HB3 1
   ATOM 178 N A VAL A 9 ? -1.65689 36.78226 34.83141 0.332 14.20618 N ? A ? 8 N 1
   ATOM 179 CA A VAL A 9 ? -0.47916 37.39342 35.39653 0.332 13.10822 C ? A ? 8 CA 1
   ATOM 180 C A VAL A 9 ? -0.50460 37.18669 36.91215 0.332 14.71440 C ? A ? 8 C 1
   ATOM 181 O A VAL A 9 ? 0.48007 36.73114 37.48883 0.332 14.74075 O ? A ? 8 O 1
   ATOM 182 CB A VAL A 9 ? -0.39979 38.85973 35.02491 0.332 14.04993 C ? A ? 8 CB 1
   ATOM 183 CG1 A VAL A 9 ? 0.74206 39.44154 35.74864 0.332 14.53388 C ? A ? 8 CG1 1
   ATOM 184 CG2 A VAL A 9 ? -0.19360 38.95576 33.55028 0.332 14.30839 C ? A ? 8 CG2 1
   ATOM 185 H A VAL A 9 ? -2.07499 37.24008 34.23543 0.332 17.07857 H ? A ? 8 H 1
   ATOM 186 HA A VAL A 9 ? 0.31448 36.97053 35.03294 0.332 15.76102 H ? A ? 8 HA 1
   ATOM 187 HB A VAL A 9 ? -1.20772 39.34280 35.25902 0.332 16.89108 H ? A ? 8 HB 1
   ATOM 188 HG11 A VAL A 9 ? 0.92530 40.32470 35.39177 0.332 17.47181 H ? A ? 8 HG11 1
   ATOM 189 HG12 A VAL A 9 ? 0.51967 39.50504 36.69067 0.332 17.47181 H ? A ? 8 HG12 1
   ATOM 190 HG13 A VAL A 9 ? 1.51622 38.86941 35.62937 0.332 17.47181 H ? A ? 8 HG13 1
   ATOM 191 HG21 A VAL A 9 ? -0.10074 39.88951 33.30453 0.332 17.20123 H ? A ? 8 HG21 1
   ATOM 192 HG22 A VAL A 9 ? 0.61094 38.46931 33.31156 0.332 17.20123 H ? A ? 8 HG22 1
   ATOM 193 HG23 A VAL A 9 ? -0.96007 38.56944 33.09841 0.332 17.20123 H ? A ? 8 HG23 1
   ATOM 194 N B VAL A 9 ? -1.63864 36.70284 34.59389 0.265 13.26736 N ? A ? 8 N 1
   ATOM 195 CA B VAL A 9 ? -0.49441 37.32031 35.26802 0.265 12.81646 C ? A ? 8 CA 1
   ATOM 196 C B VAL A 9 ? -0.65984 37.17390 36.78578 0.265 14.14471 C ? A ? 8 C 1
   ATOM 197 O B VAL A 9 ? 0.26996 36.76655 37.47561 0.265 12.54170 O ? A ? 8 O 1
   ATOM 198 CB B VAL A 9 ? -0.32762 38.78558 34.86183 0.265 14.46136 C ? A ? 8 CB 1
   ATOM 199 CG1 B VAL A 9 ? 0.85269 39.30964 35.54517 0.265 14.79987 C ? A ? 8 CG1 1
   ATOM 200 CG2 B VAL A 9 ? -0.14094 38.86065 33.34478 0.265 14.54713 C ? A ? 8 CG2 1
   ATOM 201 H B VAL A 9 ? -2.02327 37.20562 34.01175 0.265 15.95199 H ? A ? 8 H 1
   ATOM 202 HA B VAL A 9 ? 0.31184 36.85737 34.99133 0.265 15.41090 H ? A ? 8 HA 1
   ATOM 203 HB B VAL A 9 ? -1.10461 39.31306 35.10463 0.265 17.38479 H ? A ? 8 HB 1
   ATOM 204 HG11 B VAL A 9 ? 1.06759 40.18221 35.18002 0.265 17.79100 H ? A ? 8 HG11 1
   ATOM 205 HG12 B VAL A 9 ? 0.66107 39.38576 36.49300 0.265 17.79100 H ? A ? 8 HG12 1
   ATOM 206 HG13 B VAL A 9 ? 1.59477 38.70076 35.40558 0.265 17.79100 H ? A ? 8 HG13 1
   ATOM 207 HG21 B VAL A 9 ? 0.16716 39.74945 33.10811 0.265 17.48771 H ? A ? 8 HG21 1
   ATOM 208 HG22 B VAL A 9 ? 0.51579 38.19999 33.07434 0.265 17.48771 H ? A ? 8 HG22 1
   ATOM 209 HG23 B VAL A 9 ? -0.99018 38.67899 32.91272 0.265 17.48771 H ? A ? 8 HG23 1
   ATOM 210 N C VAL A 9 ? -1.75589 36.87616 35.23941 0.403 12.87389 N ? A ? 8 N 1
   ATOM 211 CA C VAL A 9 ? -0.59990 37.44527 35.95554 0.403 11.54905 C ? A ? 8 CA 1
   ATOM 212 C C VAL A 9 ? -0.74361 37.21610 37.45954 0.403 12.34759 C ? A ? 8 C 1
   ATOM 213 O C VAL A 9 ? 0.24142 36.83927 38.12860 0.403 12.61589 O ? A ? 8 O 1
   ATOM 214 CB C VAL A 9 ? -0.45057 38.92358 35.63839 0.403 11.35585 C ? A ? 8 CB 1
   ATOM 215 CG1 C VAL A 9 ? 0.66207 39.57660 36.44448 0.403 14.19403 C ? A ? 8 CG1 1
   ATOM 216 CG2 C VAL A 9 ? -0.19621 39.18758 34.11728 0.403 13.12846 C ? A ? 8 CG2 1
   ATOM 217 H C VAL A 9 ? -2.29969 37.47584 34.94911 0.403 15.47982 H ? A ? 8 H 1
   ATOM 218 HA C VAL A 9 ? 0.20112 36.98989 35.65241 0.403 13.89002 H ? A ? 8 HA 1
   ATOM 219 HB C VAL A 9 ? -1.29622 39.32955 35.88528 0.403 13.65818 H ? A ? 8 HB 1
   ATOM 220 HG11 C VAL A 9 ? 0.85380 40.44990 36.06834 0.403 17.06399 H ? A ? 8 HG11 1
   ATOM 221 HG12 C VAL A 9 ? 0.37208 39.66953 37.36544 0.403 17.06399 H ? A ? 8 HG12 1
   ATOM 222 HG13 C VAL A 9 ? 1.45326 39.01706 36.40167 0.403 17.06399 H ? A ? 8 HG13 1
   ATOM 223 HG21 C VAL A 9 ? -0.10065 40.14219 33.97410 0.403 15.78530 H ? A ? 8 HG21 1
   ATOM 224 HG22 C VAL A 9 ? 0.61580 38.72991 33.84879 0.403 15.78530 H ? A ? 8 HG22 1
   ATOM 225 HG23 C VAL A 9 ? -0.94976 38.85051 33.60793 0.403 15.78530 H ? A ? 8 HG23 1
   ATOM 226 N A LYS A 10 ? -1.61068 37.52822 37.56927 0.332 14.04854 N ? A ? 9 N 1
   ATOM 227 CA A LYS A 10 ? -1.71090 37.34405 39.03301 0.332 15.94188 C ? A ? 9 CA 1
   ATOM 228 C A LYS A 10 ? -1.54510 35.85661 39.42557 0.332 11.86841 C ? A ? 9 C 1
   ATOM 229 O A LYS A 10 ? -0.88618 35.51352 40.39777 0.332 14.05249 O ? A ? 9 O 1
   ATOM 230 CB A LYS A 10 ? -3.06074 37.94943 39.53635 0.332 16.94341 C ? A ? 9 CB 1
   ATOM 231 CG A LYS A 10 ? -3.47010 37.80527 41.06879 0.332 21.88339 C ? A ? 9 CG 1
   ATOM 232 CD A LYS A 10 ? -4.81980 38.46170 41.45122 0.332 20.35322 C ? A ? 9 CD 1
   ATOM 233 CE A LYS A 10 ? -5.34319 37.83356 42.71024 0.332 24.61231 C ? A ? 9 CE 1
   ATOM 234 NZ A LYS A 10 ? -6.43533 38.42059 43.13460 0.332 29.72388 N ? A ? 9 NZ 1
   ATOM 235 H A LYS A 10 ? -2.31323 37.86489 37.20502 0.332 16.88940 H ? A ? 9 H 1
   ATOM 236 HA A LYS A 10 ? -0.99396 37.82454 39.47575 0.332 19.16141 H ? A ? 9 HA 1
   ATOM 237 HB2 A LYS A 10 ? -3.03606 38.90142 39.35197 0.332 20.36325 H ? A ? 9 HB2 1
   ATOM 238 HB3 A LYS A 10 ? -3.77201 37.53108 39.02647 0.332 20.36325 H ? A ? 9 HB3 1
   ATOM 239 HG2 A LYS A 10 ? -3.53623 36.86134 41.28214 0.332 26.29123 H ? A ? 9 HG2 1
   ATOM 240 HG3 A LYS A 10 ? -2.78179 38.22065 41.61155 0.332 26.29123 H ? A ? 9 HG3 1
   ATOM 241 HD2 A LYS A 10 ? -4.69219 39.41100 41.60433 0.332 24.45502 H ? A ? 9 HD2 1
   ATOM 242 HD3 A LYS A 10 ? -5.46553 38.32412 40.74059 0.332 24.45502 H ? A ? 9 HD3 1
   ATOM 243 HE2 A LYS A 10 ? -5.54714 36.90055 42.54056 0.332 29.56592 H ? A ? 9 HE2 1
   ATOM 244 HE3 A LYS A 10 ? -4.67101 37.90502 43.40592 0.332 29.56592 H ? A ? 9 HE3 1
   ATOM 245 HZ1 A LYS A 10 ? -7.13660 38.13242 42.66846 0.332 35.69981 H ? A ? 9 HZ1 1
   ATOM 246 HZ2 A LYS A 10 ? -6.56522 38.23613 43.99553 0.332 35.69981 H ? A ? 9 HZ2 1
   ATOM 247 HZ3 A LYS A 10 ? -6.36520 39.30227 43.03549 0.332 35.69981 H ? A ? 9 HZ3 1
   ATOM 248 N B LYS A 10 ? -1.84725 37.46617 37.29918 0.265 12.67888 N ? A ? 9 N 1
   ATOM 249 CA B LYS A 10 ? -2.07480 37.34429 38.74789 0.265 12.10853 C ? A ? 9 CA 1
   ATOM 250 C B LYS A 10 ? -1.82308 35.91509 39.23049 0.265 15.97966 C ? A ? 9 C 1
   ATOM 251 O B LYS A 10 ? -1.24708 35.69015 40.27593 0.265 13.47980 O ? A ? 9 O 1
   ATOM 252 CB B LYS A 10 ? -3.48011 37.82781 39.17510 0.265 15.62198 C ? A ? 9 CB 1
   ATOM 253 CG B LYS A 10 ? -3.79472 37.81029 40.75779 0.265 19.45236 C ? A ? 9 CG 1
   ATOM 254 CD B LYS A 10 ? -2.97862 38.87348 41.60524 0.265 27.51942 C ? A ? 9 CD 1
   ATOM 255 CE B LYS A 10 ? -3.25628 38.80028 43.13934 0.265 18.15145 C ? A ? 9 CE 1
   ATOM 256 NZ B LYS A 10 ? -4.58140 39.38112 43.34652 0.265 34.02782 N ? A ? 9 NZ 1
   ATOM 257 H B LYS A 10 ? -2.52897 37.73231 36.84747 0.265 15.24581 H ? A ? 9 H 1
   ATOM 258 HA B LYS A 10 ? -1.44254 37.93834 39.18178 0.265 14.56140 H ? A ? 9 HA 1
   ATOM 259 HB2 B LYS A 10 ? -3.58860 38.74326 38.87333 0.265 18.77754 H ? A ? 9 HB2 1
   ATOM 260 HB3 B LYS A 10 ? -4.13802 37.25741 38.74767 0.265 18.77754 H ? A ? 9 HB3 1
   ATOM 261 HG2 B LYS A 10 ? -4.73791 37.99579 40.88777 0.265 23.37399 H ? A ? 9 HG2 1
   ATOM 262 HG3 B LYS A 10 ? -3.57834 36.93138 41.10650 0.265 23.37399 H ? A ? 9 HG3 1
   ATOM 263 HD2 B LYS A 10 ? -2.03046 38.72078 41.46902 0.265 33.05446 H ? A ? 9 HD2 1
   ATOM 264 HD3 B LYS A 10 ? -3.21792 39.76389 41.30389 0.265 33.05446 H ? A ? 9 HD3 1
   ATOM 265 HE2 B LYS A 10 ? -3.25299 37.87880 43.44228 0.265 21.81290 H ? A ? 9 HE2 1
   ATOM 266 HE3 B LYS A 10 ? -2.59497 39.31311 43.62982 0.265 21.81290 H ? A ? 9 HE3 1
   ATOM 267 HZ1 B LYS A 10 ? -4.79350 39.35502 44.21048 0.265 40.86454 H ? A ? 9 HZ1 1
   ATOM 268 HZ2 B LYS A 10 ? -4.58876 40.22794 43.07275 0.265 40.86454 H ? A ? 9 HZ2 1
   ATOM 269 HZ3 B LYS A 10 ? -5.18985 38.92331 42.88577 0.265 40.86454 H ? A ? 9 HZ3 1
   ATOM 270 N C LYS A 10 ? -1.91844 37.53818 38.00824 0.403 11.70902 N ? A ? 9 N 1
   ATOM 271 CA C LYS A 10 ? -2.19265 37.37881 39.42128 0.403 13.56573 C ? A ? 9 CA 1
   ATOM 272 C C LYS A 10 ? -1.96850 35.93939 39.84305 0.403 13.83349 C ? A ? 9 C 1
   ATOM 273 O C LYS A 10 ? -1.30201 35.70487 40.83324 0.403 16.43622 O ? A ? 9 O 1
   ATOM 274 CB C LYS A 10 ? -3.58748 37.88090 39.77543 0.403 15.77441 C ? A ? 9 CB 1
   ATOM 275 CG C LYS A 10 ? -3.68355 39.37041 39.50905 0.403 16.47171 C ? A ? 9 CG 1
   ATOM 276 CD C LYS A 10 ? -5.13075 39.74871 39.58347 0.403 23.45694 C ? A ? 9 CD 1
   ATOM 277 CE C LYS A 10 ? -5.40823 41.28700 39.52769 0.403 20.88184 C ? A ? 9 CE 1
   ATOM 278 NZ C LYS A 10 ? -6.81224 41.62756 40.02601 0.403 24.52104 N ? A ? 9 NZ 1
   ATOM 279 H C LYS A 10 ? -2.58418 37.85789 37.56759 0.403 14.08198 H ? A ? 9 H 1
   ATOM 280 HA C LYS A 10 ? -1.58216 37.93447 39.93064 0.403 16.31003 H ? A ? 9 HA 1
   ATOM 281 HB2 C LYS A 10 ? -4.24720 37.42317 39.23122 0.403 18.96044 H ? A ? 9 HB2 1
   ATOM 282 HB3 C LYS A 10 ? -3.76352 37.71984 40.71562 0.403 18.96044 H ? A ? 9 HB3 1
   ATOM 283 HG2 C LYS A 10 ? -3.18710 39.86483 40.17986 0.403 19.79721 H ? A ? 9 HG2 1
   ATOM 284 HG3 C LYS A 10 ? -3.34239 39.57671 38.62477 0.403 19.79721 H ? A ? 9 HG3 1
   ATOM 285 HD2 C LYS A 10 ? -5.59534 39.34174 38.83552 0.403 28.17948 H ? A ? 9 HD2 1
   ATOM 286 HD3 C LYS A 10 ? -5.49408 39.41745 40.41963 0.403 28.17948 H ? A ? 9 HD3 1
   ATOM 287 HE2 C LYS A 10 ? -4.76604 41.74875 40.08918 0.403 25.08937 H ? A ? 9 HE2 1
   ATOM 288 HE3 C LYS A 10 ? -5.32832 41.59372 38.61093 0.403 25.08937 H ? A ? 9 HE3 1
   ATOM 289 HZ1 C LYS A 10 ? -6.76258 42.07406 40.79430 0.403 29.45640 H ? A ? 9 HZ1 1
   ATOM 290 HZ2 C LYS A 10 ? -7.23436 42.13135 39.42592 0.403 29.45640 H ? A ? 9 HZ2 1
   ATOM 291 HZ3 C LYS A 10 ? -7.27873 40.88077 40.15558 0.403 29.45640 H ? A ? 9 HZ3 1
   ATOM 292 N A TYR A 11 ? -2.24914 34.95938 38.67788 0.332 15.41280 N ? A ? 10 N 1
   ATOM 293 CA A TYR A 11 ? -2.15099 33.52778 38.95175 0.332 13.88955 C ? A ? 10 CA 1
   ATOM 294 C A TYR A 11 ? -0.70468 33.12208 38.99554 0.332 13.88859 C ? A ? 10 C 1
   ATOM 295 O A TYR A 11 ? -0.23222 32.53756 39.98222 0.332 16.48828 O ? A ? 10 O 1
   ATOM 296 CB A TYR A 11 ? -2.92361 32.74310 37.89445 0.332 12.44759 C ? A ? 10 CB 1
   ATOM 297 CG A TYR A 11 ? -2.79069 31.23221 38.10558 0.332 12.57782 C ? A ? 10 CG 1
   ATOM 298 CD1 A TYR A 11 ? -1.67185 30.54310 37.68360 0.332 13.58521 C ? A ? 10 CD1 1
   ATOM 299 CD2 A TYR A 11 ? -3.77261 30.51574 38.74032 0.332 14.28041 C ? A ? 10 CD2 1
   ATOM 300 CE1 A TYR A 11 ? -1.55630 29.16460 37.82113 0.332 12.53107 C ? A ? 10 CE1 1
   ATOM 301 CE2 A TYR A 11 ? -3.64055 29.13766 38.92180 0.332 13.73565 C ? A ? 10 CE2 1
   ATOM 302 CZ A TYR A 11 ? -2.51823 28.44443 38.47076 0.332 12.91453 C ? A ? 10 CZ 1
   ATOM 303 OH A TYR A 11 ? -2.33723 27.08661 38.56921 0.332 13.21169 O ? A ? 10 OH 1
   ATOM 304 H A TYR A 11 ? -2.77251 35.16452 38.02704 0.332 18.52652 H ? A ? 10 H 1
   ATOM 305 HA A TYR A 11 ? -2.55478 33.32023 39.80894 0.332 16.69861 H ? A ? 10 HA 1
   ATOM 306 HB2 A TYR A 11 ? -3.86361 32.97697 37.94537 0.332 14.96826 H ? A ? 10 HB2 1
   ATOM 307 HB3 A TYR A 11 ? -2.57478 32.96045 37.01582 0.332 14.96826 H ? A ? 10 HB3 1
   ATOM 308 HD1 A TYR A 11 ? -0.97228 31.01647 37.29447 0.332 16.33341 H ? A ? 10 HD1 1
   ATOM 309 HD2 A TYR A 11 ? -4.53272 30.95129 39.05246 0.332 17.16765 H ? A ? 10 HD2 1
   ATOM 310 HE1 A TYR A 11 ? -0.81567 28.72774 37.46683 0.332 15.06845 H ? A ? 10 HE1 1
   ATOM 311 HE2 A TYR A 11 ? -4.31834 28.67043 39.35446 0.332 16.51394 H ? A ? 10 HE2 1
   ATOM 312 HH A TYR A 11 ? -1.53931 26.88979 38.39546 0.332 15.88519 H ? A ? 10 HH 1
   ATOM 313 N B TYR A 11 ? -2.34603 34.93556 38.47725 0.265 14.52801 N ? A ? 10 N 1
   ATOM 314 CA B TYR A 11 ? -2.21640 33.54837 38.89162 0.265 14.20485 C ? A ? 10 CA 1
   ATOM 315 C B TYR A 11 ? -0.76705 33.17587 39.03266 0.265 14.20814 C ? A ? 10 C 1
   ATOM 316 O B TYR A 11 ? -0.35056 32.70253 40.11446 0.265 13.14082 O ? A ? 10 O 1
   ATOM 317 CB B TYR A 11 ? -2.90397 32.68248 37.86375 0.265 12.30670 C ? A ? 10 CB 1
   ATOM 318 CG B TYR A 11 ? -2.70752 31.20057 38.14530 0.265 12.71041 C ? A ? 10 CG 1
   ATOM 319 CD1 B TYR A 11 ? -1.60841 30.49961 37.66371 0.265 13.33716 C ? A ? 10 CD1 1
   ATOM 320 CD2 B TYR A 11 ? -3.64432 30.48754 38.88138 0.265 13.89517 C ? A ? 10 CD2 1
   ATOM 321 CE1 B TYR A 11 ? -1.46346 29.14075 37.87421 0.265 13.14684 C ? A ? 10 CE1 1
   ATOM 322 CE2 B TYR A 11 ? -3.48036 29.11834 39.09538 0.265 14.13433 C ? A ? 10 CE2 1
   ATOM 323 CZ B TYR A 11 ? -2.38830 28.45630 38.59444 0.265 12.02703 C ? A ? 10 CZ 1
   ATOM 324 OH B TYR A 11 ? -2.18730 27.12921 38.78544 0.265 11.86405 O ? A ? 10 OH 1
   ATOM 325 H B TYR A 11 ? -2.77036 35.05351 37.73859 0.265 17.46477 H ? A ? 10 H 1
   ATOM 326 HA B TYR A 11 ? -2.64056 33.40812 39.75262 0.265 17.07697 H ? A ? 10 HA 1
   ATOM 327 HB2 B TYR A 11 ? -3.85561 32.87004 37.87412 0.265 14.79920 H ? A ? 10 HB2 1
   ATOM 328 HB3 B TYR A 11 ? -2.53717 32.87626 36.98694 0.265 14.79920 H ? A ? 10 HB3 1
   ATOM 329 HD1 B TYR A 11 ? -0.95322 30.95647 37.18736 0.265 16.03575 H ? A ? 10 HD1 1
   ATOM 330 HD2 B TYR A 11 ? -4.38545 30.92501 39.23388 0.265 16.70536 H ? A ? 10 HD2 1
   ATOM 331 HE1 B TYR A 11 ? -0.72871 28.69352 37.52061 0.265 15.80736 H ? A ? 10 HE1 1
   ATOM 332 HE2 B TYR A 11 ? -4.11853 28.64947 39.58303 0.265 16.99235 H ? A ? 10 HE2 1
   ATOM 333 HH B TYR A 11 ? -1.50254 26.87934 38.36799 0.265 14.26801 H ? A ? 10 HH 1
   ATOM 334 N C TYR A 11 ? -2.44966 34.98298 39.03629 0.403 13.77811 N ? A ? 10 N 1
   ATOM 335 CA C TYR A 11 ? -2.13918 33.56484 39.27874 0.403 14.93078 C ? A ? 10 CA 1
   ATOM 336 C C TYR A 11 ? -0.64814 33.16493 39.06855 0.403 14.18007 C ? A ? 10 C 1
   ATOM 337 O C TYR A 11 ? -0.07652 32.47676 39.91755 0.403 16.38423 O ? A ? 10 O 1
   ATOM 338 CB C TYR A 11 ? -3.12402 32.75403 38.42974 0.403 11.20621 C ? A ? 10 CB 1
   ATOM 339 CG C TYR A 11 ? -2.98757 31.30222 38.61111 0.403 12.75176 C ? A ? 10 CG 1
   ATOM 340 CD1 C TYR A 11 ? -1.82087 30.63457 38.19467 0.403 12.27090 C ? A ? 10 CD1 1
   ATOM 341 CD2 C TYR A 11 ? -3.96736 30.57950 39.24701 0.403 12.74912 C ? A ? 10 CD2 1
   ATOM 342 CE1 C TYR A 11 ? -1.65300 29.26649 38.39128 0.403 12.87631 C ? A ? 10 CE1 1
   ATOM 343 CE2 C TYR A 11 ? -3.86934 29.25367 39.41732 0.403 11.96117 C ? A ? 10 CE2 1
   ATOM 344 CZ C TYR A 11 ? -2.71110 28.56117 38.99306 0.403 10.78682 C ? A ? 10 CZ 1
   ATOM 345 OH C TYR A 11 ? -2.51131 27.21351 39.25678 0.403 12.88875 O ? A ? 10 OH 1
   ATOM 346 H C TYR A 11 ? -2.95061 35.12488 38.35180 0.403 16.56489 H ? A ? 10 H 1
   ATOM 347 HA C TYR A 11 ? -2.26295 33.35913 40.21856 0.403 17.94810 H ? A ? 10 HA 1
   ATOM 348 HB2 C TYR A 11 ? -4.02885 33.00168 38.67642 0.403 13.47860 H ? A ? 10 HB2 1
   ATOM 349 HB3 C TYR A 11 ? -2.96912 32.95346 37.49318 0.403 13.47860 H ? A ? 10 HB3 1
   ATOM 350 HD1 C TYR A 11 ? -1.14532 31.11912 37.77785 0.403 14.75624 H ? A ? 10 HD1 1
   ATOM 351 HD2 C TYR A 11 ? -4.71945 31.02231 39.56823 0.403 15.33011 H ? A ? 10 HD2 1
   ATOM 352 HE1 C TYR A 11 ? -0.87033 28.83487 38.13430 0.403 15.48273 H ? A ? 10 HE1 1
   ATOM 353 HE2 C TYR A 11 ? -4.56700 28.78617 39.81683 0.403 14.38456 H ? A ? 10 HE2 1
   ATOM 354 HH C TYR A 11 ? -1.79703 26.95360 38.89923 0.403 15.49766 H ? A ? 10 HH 1
   ATOM 355 N . ARG A 12 ? 0.00737 33.47756 37.98014 1.000 15.07512 N ? A ? 11 N 1
   ATOM 356 CA . ARG A 12 ? 1.39264 33.05743 37.91949 1.000 15.59991 C ? A ? 11 CA 1
   ATOM 357 C . ARG A 12 ? 2.25475 33.66737 39.00834 1.000 16.18751 C ? A ? 11 C 1
   ATOM 358 O . ARG A 12 ? 3.15934 33.00604 39.56816 1.000 17.01765 O ? A ? 11 O 1
   ATOM 359 CB . ARG A 12 ? 2.00012 33.09727 36.50609 1.000 15.56316 C ? A ? 11 CB 1
   ATOM 360 CG . ARG A 12 ? 2.33504 34.51613 35.98280 1.000 15.15411 C ? A ? 11 CG 1
   ATOM 361 CD . ARG A 12 ? 2.29418 34.50453 34.48441 1.000 16.77275 C ? A ? 11 CD 1
   ATOM 362 NE . ARG A 12 ? 2.67653 35.78218 33.90671 1.000 16.29028 N ? A ? 11 NE 1
   ATOM 363 CZ . ARG A 12 ? 2.22332 36.22755 32.76024 1.000 15.11717 C ? A ? 11 CZ 1
   ATOM 364 NH1 . ARG A 12 ? 1.36577 35.59220 32.04124 1.000 17.99688 N ? A ? 11 NH1 1
   ATOM 365 NH2 . ARG A 12 ? 2.72017 37.43009 32.30220 1.000 17.34830 N ? A ? 11 NH2 1
   ATOM 366 HA . ARG A 12 ? 1.39549 32.10644 38.11056 1.000 18.75105 H ? A ? 11 HA 1
   ATOM 367 HB2 . ARG A 12 ? 2.82443 32.58600 36.51087 1.000 18.70695 H ? A ? 11 HB2 1
   ATOM 368 HB3 . ARG A 12 ? 1.36703 32.70018 35.88769 1.000 18.70695 H ? A ? 11 HB3 1
   ATOM 369 HG2 . ARG A 12 ? 1.68124 35.15293 36.31134 1.000 18.21609 H ? A ? 11 HG2 1
   ATOM 370 HG3 . ARG A 12 ? 3.22413 34.77430 36.27220 1.000 18.21609 H ? A ? 11 HG3 1
   ATOM 371 HD2 . ARG A 12 ? 2.90878 33.82993 34.15564 1.000 20.15845 H ? A ? 11 HD2 1
   ATOM 372 HD3 . ARG A 12 ? 1.39153 34.30105 34.19336 1.000 20.15845 H ? A ? 11 HD3 1
   ATOM 373 HE . ARG A 12 ? 3.23178 36.27404 34.34188 1.000 19.57950 H ? A ? 11 HE 1
   ATOM 374 HH11 . ARG A 12 ? 1.05989 34.83358 32.30682 1.000 21.62742 H ? A ? 11 HH11 1
   ATOM 375 HH12 . ARG A 12 ? 1.09855 35.92623 31.29517 1.000 21.62742 H ? A ? 11 HH12 1
   ATOM 376 HH21 . ARG A 12 ? 3.30521 37.85793 32.76510 1.000 20.84912 H ? A ? 11 HH21 1
   ATOM 377 HH22 . ARG A 12 ? 2.44489 37.75197 31.55372 1.000 20.84912 H ? A ? 11 HH22 1
   ATOM 378 H A ARG A 12 ? -0.26686 33.95236 37.31760 0.332 18.12130 H ? A ? 11 H 1
   ATOM 379 H B ARG A 12 ? -0.25418 33.92456 37.29357 0.265 18.12130 H ? A ? 11 H 1
   ATOM 380 H C ARG A 12 ? -0.30141 33.90546 37.30106 0.403 18.12130 H ? A ? 11 H 1
   ATOM 381 N A GLN A 13 ? 2.15349 34.94183 39.16440 0.395 17.61210 N ? A ? 12 N 1
   ATOM 382 CA A GLN A 13 ? 3.01291 35.58506 40.15648 0.395 13.28071 C ? A ? 12 CA 1
   ATOM 383 C A GLN A 13 ? 2.74034 34.93910 41.49977 0.395 16.77788 C ? A ? 12 C 1
   ATOM 384 O A GLN A 13 ? 3.66192 34.66030 42.23952 0.395 14.64395 O ? A ? 12 O 1
   ATOM 385 CB A GLN A 13 ? 2.69981 37.06398 40.12311 0.395 13.52159 C ? A ? 12 CB 1
   ATOM 386 CG A GLN A 13 ? 3.26390 37.71403 38.92808 0.395 18.02740 C ? A ? 12 CG 1
   ATOM 387 CD A GLN A 13 ? 3.04169 39.22981 38.94023 0.395 18.15612 C ? A ? 12 CD 1
   ATOM 388 OE1 A GLN A 13 ? 2.44730 39.78672 39.85973 0.395 17.27326 O ? A ? 12 OE1 1
   ATOM 389 NE2 A GLN A 13 ? 3.65045 39.85801 37.98807 0.395 17.98689 N ? A ? 12 NE2 1
   ATOM 390 H A GLN A 13 ? 1.61995 35.46137 38.73426 0.395 21.16568 H ? A ? 12 H 1
   ATOM 391 HA A GLN A 13 ? 3.96232 35.49583 39.97884 0.395 15.96801 H ? A ? 12 HA 1
   ATOM 392 HB2 A GLN A 13 ? 1.73769 37.18677 40.11125 0.395 16.25707 H ? A ? 12 HB2 1
   ATOM 393 HB3 A GLN A 13 ? 3.07881 37.48869 40.90853 0.395 16.25707 H ? A ? 12 HB3 1
   ATOM 394 HG2 A GLN A 13 ? 4.21902 37.54795 38.89550 0.395 21.66403 H ? A ? 12 HG2 1
   ATOM 395 HG3 A GLN A 13 ? 2.83691 37.35142 38.13619 0.395 21.66403 H ? A ? 12 HG3 1
   ATOM 396 HE21 A GLN A 13 ? 4.12718 39.42141 37.42088 0.395 21.61542 H ? A ? 12 HE21 1
   ATOM 397 HE22 A GLN A 13 ? 3.57861 40.71245 37.92195 0.395 21.61542 H ? A ? 12 HE22 1
   ATOM 398 N B GLN A 13 ? 1.85608 34.89129 39.52048 0.388 14.32451 N ? A ? 12 N 1
   ATOM 399 CA B GLN A 13 ? 2.61543 35.57133 40.61103 0.388 16.33219 C ? A ? 12 CA 1
   ATOM 400 C B GLN A 13 ? 2.28014 34.98256 41.99379 0.388 12.36431 C ? A ? 12 C 1
   ATOM 401 O B GLN A 13 ? 3.16111 34.94462 42.90209 0.388 14.01155 O ? A ? 12 O 1
   ATOM 402 CB B GLN A 13 ? 2.38115 37.08154 40.46720 0.388 17.52170 C ? A ? 12 CB 1
   ATOM 403 CG B GLN A 13 ? 3.00751 37.66335 39.15392 0.388 15.54488 C ? A ? 12 CG 1
   ATOM 404 CD B GLN A 13 ? 2.69986 39.21238 38.83867 0.388 13.91490 C ? A ? 12 CD 1
   ATOM 405 OE1 B GLN A 13 ? 1.75560 39.77334 39.37193 0.388 19.47346 O ? A ? 12 OE1 1
   ATOM 406 NE2 B GLN A 13 ? 3.57081 39.82370 38.06513 0.388 17.56735 N ? A ? 12 NE2 1
   ATOM 407 H B GLN A 13 ? 1.16542 35.32819 39.25269 0.388 17.22057 H ? A ? 12 H 1
   ATOM 408 HA B GLN A 13 ? 3.57384 35.44222 40.53571 0.388 19.62978 H ? A ? 12 HA 1
   ATOM 409 HB2 B GLN A 13 ? 1.42670 37.25345 40.44783 0.388 21.05720 H ? A ? 12 HB2 1
   ATOM 410 HB3 B GLN A 13 ? 2.78519 37.53791 41.22177 0.388 21.05720 H ? A ? 12 HB3 1
   ATOM 411 HG2 B GLN A 13 ? 3.97134 37.57120 39.21252 0.388 18.68502 H ? A ? 12 HG2 1
   ATOM 412 HG3 B GLN A 13 ? 2.66995 37.14829 38.40447 0.388 18.68502 H ? A ? 12 HG3 1
   ATOM 413 HE21 B GLN A 13 ? 4.25217 39.39515 37.76232 0.388 21.11198 H ? A ? 12 HE21 1
   ATOM 414 HE22 B GLN A 13 ? 3.45881 40.65189 37.86224 0.388 21.11198 H ? A ? 12 HE22 1
   ATOM 415 N C GLN A 13 ? 2.01928 34.93465 39.30309 0.217 16.62224 N ? A ? 12 N 1
   ATOM 416 CA C GLN A 13 ? 2.84618 35.58168 40.32011 0.217 14.70261 C ? A ? 12 CA 1
   ATOM 417 C C GLN A 13 ? 2.60053 34.92587 41.66562 0.217 15.91651 C ? A ? 12 C 1
   ATOM 418 O C GLN A 13 ? 3.52916 34.74927 42.45350 0.217 15.44311 O ? A ? 12 O 1
   ATOM 419 CB C GLN A 13 ? 2.50424 37.05114 40.39416 0.217 17.06705 C ? A ? 12 CB 1
   ATOM 420 CG C GLN A 13 ? 3.18334 37.79964 39.33891 0.217 16.33789 C ? A ? 12 CG 1
   ATOM 421 CD C GLN A 13 ? 2.90834 39.31881 39.34824 0.217 17.75807 C ? A ? 12 CD 1
   ATOM 422 OE1 C GLN A 13 ? 1.99829 39.83229 40.02039 0.217 18.37722 O ? A ? 12 OE1 1
   ATOM 423 NE2 C GLN A 13 ? 3.76869 40.02412 38.63750 0.217 14.43133 N ? A ? 12 NE2 1
   ATOM 424 H C GLN A 13 ? 1.41210 35.42821 38.94627 0.217 19.97784 H ? A ? 12 H 1
   ATOM 425 HA C GLN A 13 ? 3.78395 35.49996 40.08599 0.217 17.67429 H ? A ? 12 HA 1
   ATOM 426 HB2 C GLN A 13 ? 1.54713 37.16545 40.28571 0.217 20.51161 H ? A ? 12 HB2 1
   ATOM 427 HB3 C GLN A 13 ? 2.78546 37.40489 41.25246 0.217 20.51161 H ? A ? 12 HB3 1
   ATOM 428 HG2 C GLN A 13 ? 4.14015 37.67559 39.43904 0.217 19.63663 H ? A ? 12 HG2 1
   ATOM 429 HG3 C GLN A 13 ? 2.89230 37.45559 38.47995 0.217 19.63663 H ? A ? 12 HG3 1
   ATOM 430 HE21 C GLN A 13 ? 4.40999 39.62875 38.22274 0.217 17.34875 H ? A ? 12 HE21 1
   ATOM 431 HE22 C GLN A 13 ? 3.68786 40.87895 38.58926 0.217 17.34875 H ? A ? 12 HE22 1
   ATOM 432 N A SER A 14 ? 1.56092 34.42090 41.68279 0.395 13.52475 N ? A ? 13 N 1
   ATOM 433 CA A SER A 14 ? 1.27129 33.85430 43.00210 0.395 12.13560 C ? A ? 13 CA 1
   ATOM 434 C A SER A 14 ? 1.82788 32.46516 43.11575 0.395 16.23685 C ? A ? 13 C 1
   ATOM 435 O A SER A 14 ? 2.50760 32.06673 44.05382 0.395 16.21339 O ? A ? 13 O 1
   ATOM 436 CB A SER A 14 ? -0.22821 33.78385 43.27024 0.395 13.17562 C ? A ? 13 CB 1
   ATOM 437 OG A SER A 14 ? -0.96544 35.01721 43.13268 0.395 15.18824 O ? A ? 13 OG 1
   ATOM 438 H A SER A 14 ? 0.92961 34.37808 41.10038 0.395 16.26086 H ? A ? 13 H 1
   ATOM 439 HA A SER A 14 ? 1.67598 34.44242 43.65877 0.395 14.59388 H ? A ? 13 HA 1
   ATOM 440 HB2 A SER A 14 ? -0.60748 33.14489 42.64671 0.395 15.84190 H ? A ? 13 HB2 1
   ATOM 441 HB3 A SER A 14 ? -0.34853 33.47074 44.18040 0.395 15.84190 H ? A ? 13 HB3 1
   ATOM 442 HG A SER A 14 ? -0.73145 35.41503 42.43084 0.395 18.25705 H ? A ? 13 HG 1
   ATOM 443 N B SER A 14 ? 1.02018 34.57872 42.16999 0.388 13.34366 N ? A ? 13 N 1
   ATOM 444 CA B SER A 14 ? 0.64733 33.77880 43.32293 0.388 14.09317 C ? A ? 13 CA 1
   ATOM 445 C B SER A 14 ? 1.34946 32.42647 43.32325 0.388 13.51193 C ? A ? 13 C 1
   ATOM 446 O B SER A 14 ? 1.77145 32.02739 44.41888 0.388 12.81781 O ? A ? 13 O 1
   ATOM 447 CB B SER A 14 ? -0.89687 33.76634 43.54597 0.388 15.88314 C ? A ? 13 CB 1
   ATOM 448 OG B SER A 14 ? -1.36172 34.94243 44.19565 0.388 18.77683 O ? A ? 13 OG 1
   ATOM 449 H B SER A 14 ? 0.36938 34.75612 41.63652 0.388 16.04355 H ? A ? 13 H 1
   ATOM 450 HA B SER A 14 ? 0.95971 34.20151 44.13818 0.388 16.94296 H ? A ? 13 HA 1
   ATOM 451 HB2 B SER A 14 ? -1.33343 33.69697 42.68255 0.388 19.09093 H ? A ? 13 HB2 1
   ATOM 452 HB3 B SER A 14 ? -1.12379 32.99957 44.09503 0.388 19.09093 H ? A ? 13 HB3 1
   ATOM 453 HG B SER A 14 ? -2.19938 34.92535 44.25595 0.388 22.56335 H ? A ? 13 HG 1
   ATOM 454 N C SER A 14 ? 1.37550 34.49655 41.91778 0.217 16.47428 N ? A ? 13 N 1
   ATOM 455 CA C SER A 14 ? 1.10980 33.83276 43.18471 0.217 13.62609 C ? A ? 13 CA 1
   ATOM 456 C C SER A 14 ? 1.70821 32.45741 43.20342 0.217 16.14359 C ? A ? 13 C 1
   ATOM 457 O C SER A 14 ? 2.28317 32.03935 44.20506 0.217 17.22478 O ? A ? 13 O 1
   ATOM 458 CB C SER A 14 ? -0.38836 33.76416 43.43769 0.217 14.79632 C ? A ? 13 CB 1
   ATOM 459 OG C SER A 14 ? -0.93916 35.02028 43.80771 0.217 13.91020 O ? A ? 13 OG 1
   ATOM 460 H C SER A 14 ? 0.70026 34.57343 41.39076 0.217 19.80030 H ? A ? 13 H 1
   ATOM 461 HA C SER A 14 ? 1.50945 34.35085 43.90077 0.217 16.38247 H ? A ? 13 HA 1
   ATOM 462 HB2 C SER A 14 ? -0.82486 33.46322 42.62541 0.217 17.78675 H ? A ? 13 HB2 1
   ATOM 463 HB3 C SER A 14 ? -0.55134 33.13243 44.15550 0.217 17.78675 H ? A ? 13 HB3 1
   ATOM 464 HG C SER A 14 ? -1.18055 35.44131 43.12210 0.217 16.72339 H ? A ? 13 HG 1
   ATOM 465 N . ALA A 15 ? 1.61321 31.74347 42.09253 1.000 17.07110 N ? A ? 14 N 1
   ATOM 466 CA . ALA A 15 ? 2.18568 30.39866 42.05135 1.000 17.75268 C ? A ? 14 CA 1
   ATOM 467 C . ALA A 15 ? 3.62907 30.49359 42.27706 1.000 18.33297 C ? A ? 14 C 1
   ATOM 468 O . ALA A 15 ? 4.23615 29.67115 43.00431 1.000 19.64380 O ? A ? 14 O 1
   ATOM 469 CB . ALA A 15 ? 1.95858 29.71774 40.68787 1.000 19.89492 C ? A ? 14 CB 1
   ATOM 470 HA . ALA A 15 ? 1.74665 29.85770 42.72627 1.000 21.33438 H ? A ? 14 HA 1
   ATOM 471 HB1 . ALA A 15 ? 2.39792 28.85294 40.68968 1.000 23.90506 H ? A ? 14 HB1 1
   ATOM 472 HB2 . ALA A 15 ? 1.00568 29.60437 40.54631 1.000 23.90506 H ? A ? 14 HB2 1
   ATOM 473 HB3 . ALA A 15 ? 2.33250 30.27726 39.98928 1.000 23.90506 H ? A ? 14 HB3 1
   ATOM 474 H A ALA A 15 ? 1.15243 31.97401 41.40396 0.395 20.51648 H ? A ? 14 H 1
   ATOM 475 H B ALA A 15 ? 1.45539 32.07284 41.31394 0.388 20.51648 H ? A ? 14 H 1
   ATOM 476 H C ALA A 15 ? 1.23372 32.00255 41.36558 0.217 20.51648 H ? A ? 14 H 1
   ATOM 477 N . LEU A 16 ? 4.34554 31.47223 41.67915 1.000 18.56727 N ? A ? 15 N 1
   ATOM 478 CA . LEU A 16 ? 5.71479 31.63126 41.84420 1.000 19.38566 C ? A ? 15 CA 1
   ATOM 479 C . LEU A 16 ? 6.07242 32.06348 43.25323 1.000 22.64381 C ? A ? 15 C 1
   ATOM 480 O . LEU A 16 ? 7.09414 31.58153 43.78022 1.000 22.46480 O ? A ? 15 O 1
   ATOM 481 H . LEU A 16 ? 4.00334 32.06294 41.15613 1.000 22.31188 H ? A ? 15 H 1
   ATOM 482 HA . LEU A 16 ? 6.14627 30.78441 41.65037 1.000 23.29395 H ? A ? 15 HA 1
   ATOM 483 CB A LEU A 16 ? 6.18098 32.73619 40.90594 0.570 23.07524 C ? A ? 15 CB 1
   ATOM 484 CG A LEU A 16 ? 6.51099 32.50029 39.46384 0.570 28.19206 C ? A ? 15 CG 1
   ATOM 485 CD1 A LEU A 16 ? 5.85376 31.48910 39.06208 0.570 19.96725 C ? A ? 15 CD1 1
   ATOM 486 CD2 A LEU A 16 ? 6.10144 33.79205 38.58621 0.570 25.74979 C ? A ? 15 CD2 1
   ATOM 487 HB2 A LEU A 16 ? 5.47948 33.40610 40.90160 0.570 27.72144 H ? A ? 15 HB2 1
   ATOM 488 HB3 A LEU A 16 ? 6.98898 33.10444 41.29638 0.570 27.72144 H ? A ? 15 HB3 1
   ATOM 489 HG A LEU A 16 ? 7.46212 32.34353 39.35582 0.570 33.86163 H ? A ? 15 HG 1
   ATOM 490 HD11 A LEU A 16 ? 6.05439 31.33368 38.12587 0.570 23.99186 H ? A ? 15 HD11 1
   ATOM 491 HD12 A LEU A 16 ? 6.11095 30.71588 39.58827 0.570 23.99186 H ? A ? 15 HD12 1
   ATOM 492 HD13 A LEU A 16 ? 4.90611 31.66410 39.17266 0.570 23.99186 H ? A ? 15 HD13 1
   ATOM 493 HD21 A LEU A 16 ? 6.50906 33.71997 37.70896 0.570 30.93091 H ? A ? 15 HD21 1
   ATOM 494 HD22 A LEU A 16 ? 5.13570 33.82249 38.50072 0.570 30.93091 H ? A ? 15 HD22 1
   ATOM 495 HD23 A LEU A 16 ? 6.41925 34.59170 39.03393 0.570 30.93091 H ? A ? 15 HD23 1
   ATOM 496 CB B LEU A 16 ? 6.30275 32.50036 40.75526 0.430 20.00519 C ? A ? 15 CB 1
   ATOM 497 CG B LEU A 16 ? 5.97026 33.96133 41.07979 0.430 15.38695 C ? A ? 15 CG 1
   ATOM 498 CD1 B LEU A 16 ? 6.76417 34.76933 42.11983 0.430 24.24176 C ? A ? 15 CD1 1
   ATOM 499 CD2 B LEU A 16 ? 6.03048 34.53050 39.64704 0.430 19.68144 C ? A ? 15 CD2 1
   ATOM 500 HB2 B LEU A 16 ? 7.26601 32.39016 40.72524 0.430 24.03738 H ? A ? 15 HB2 1
   ATOM 501 HB3 B LEU A 16 ? 5.91520 32.26665 39.89731 0.430 24.03738 H ? A ? 15 HB3 1
   ATOM 502 HG B LEU A 16 ? 5.14159 34.03447 41.57865 0.430 18.49549 H ? A ? 15 HG 1
   ATOM 503 HD11 B LEU A 16 ? 6.90110 35.66878 41.78348 0.430 29.12127 H ? A ? 15 HD11 1
   ATOM 504 HD12 B LEU A 16 ? 6.26039 34.79908 42.94822 0.430 29.12127 H ? A ? 15 HD12 1
   ATOM 505 HD13 B LEU A 16 ? 7.62013 34.33791 42.26855 0.430 29.12127 H ? A ? 15 HD13 1
   ATOM 506 HD21 B LEU A 16 ? 6.02301 35.49945 39.69158 0.430 23.64889 H ? A ? 15 HD21 1
   ATOM 507 HD22 B LEU A 16 ? 6.84619 34.22528 39.22000 0.430 23.64889 H ? A ? 15 HD22 1
   ATOM 508 HD23 B LEU A 16 ? 5.25921 34.21628 39.14973 0.430 23.64889 H ? A ? 15 HD23 1
   ATOM 509 N . THR A 17 ? 5.27813 32.86895 43.93772 1.000 19.84109 N ? A ? 16 N 1
   ATOM 510 CA . THR A 17 ? 5.48428 33.19841 45.33747 1.000 19.10944 C ? A ? 16 CA 1
   ATOM 511 C . THR A 17 ? 5.46266 31.93697 46.17826 1.000 19.74221 C ? A ? 16 C 1
   ATOM 512 O . THR A 17 ? 6.35481 31.78285 47.05092 1.000 20.69397 O ? A ? 16 O 1
   ATOM 513 CB . THR A 17 ? 4.36977 34.19650 45.75411 1.000 23.15569 C ? A ? 16 CB 1
   ATOM 514 OG1 . THR A 17 ? 4.59590 35.46167 45.08200 1.000 23.98143 O ? A ? 16 OG1 1
   ATOM 515 CG2 . THR A 17 ? 4.43706 34.46223 47.19206 1.000 21.66426 C ? A ? 16 CG2 1
   ATOM 516 H . THR A 17 ? 4.58524 33.25378 43.60392 1.000 23.84047 H ? A ? 16 H 1
   ATOM 517 HA . THR A 17 ? 6.34503 33.62160 45.48211 1.000 22.96248 H ? A ? 16 HA 1
   ATOM 518 HB . THR A 17 ? 3.50423 33.82286 45.52577 1.000 27.81798 H ? A ? 16 HB 1
   ATOM 519 HG1 . THR A 17 ? 4.73372 35.33164 44.26365 1.000 28.80887 H ? A ? 16 HG1 1
   ATOM 520 HG21 . THR A 17 ? 3.91629 35.25149 47.40831 1.000 26.02827 H ? A ? 16 HG21 1
   ATOM 521 HG22 . THR A 17 ? 4.08288 33.70631 47.68606 1.000 26.02827 H ? A ? 16 HG22 1
   ATOM 522 HG23 . THR A 17 ? 5.35775 34.60957 47.45948 1.000 26.02827 H ? A ? 16 HG23 1
   ATOM 523 N A LEU A 18 ? 4.53020 31.05036 45.90596 0.437 19.37508 N ? A ? 17 N 1
   ATOM 524 CA A LEU A 18 ? 4.43194 29.85812 46.74252 0.437 19.16095 C ? A ? 17 CA 1
   ATOM 525 C A LEU A 18 ? 5.50252 28.86515 46.43175 0.437 19.32919 C ? A ? 17 C 1
   ATOM 526 O A LEU A 18 ? 5.92034 28.16727 47.38802 0.437 15.34444 O ? A ? 17 O 1
   ATOM 527 CB A LEU A 18 ? 3.15845 29.12531 46.56881 0.437 19.32857 C ? A ? 17 CB 1
   ATOM 528 CG A LEU A 18 ? 2.48803 29.04612 47.92641 0.437 17.60398 C ? A ? 17 CG 1
   ATOM 529 CD1 A LEU A 18 ? 2.20720 30.43700 48.35520 0.437 19.45244 C ? A ? 17 CD1 1
   ATOM 530 CD2 A LEU A 18 ? 1.21709 28.26637 47.79491 0.437 18.91675 C ? A ? 17 CD2 1
   ATOM 531 H A LEU A 18 ? 3.95757 31.10534 45.26669 0.437 23.28126 H ? A ? 17 H 1
   ATOM 532 HA A LEU A 18 ? 4.49624 30.19594 47.64952 0.437 23.02429 H ? A ? 17 HA 1
   ATOM 533 HB2 A LEU A 18 ? 2.58060 29.59971 45.95080 0.437 23.22544 H ? A ? 17 HB2 1
   ATOM 534 HB3 A LEU A 18 ? 3.32997 28.22868 46.24088 0.437 23.22544 H ? A ? 17 HB3 1
   ATOM 535 HG A LEU A 18 ? 3.04415 28.60436 48.58708 0.437 21.15593 H ? A ? 17 HG 1
   ATOM 536 HD11 A LEU A 18 ? 1.47152 30.43013 48.98736 0.437 23.37408 H ? A ? 17 HD11 1
   ATOM 537 HD12 A LEU A 18 ? 3.00071 30.80434 48.77508 0.437 23.37408 H ? A ? 17 HD12 1
   ATOM 538 HD13 A LEU A 18 ? 1.96987 30.96549 47.57720 0.437 23.37408 H ? A ? 17 HD13 1
   ATOM 539 HD21 A LEU A 18 ? 0.79011 28.20951 48.66402 0.437 22.73126 H ? A ? 17 HD21 1
   ATOM 540 HD22 A LEU A 18 ? 0.63196 28.71959 47.16792 0.437 22.73126 H ? A ? 17 HD22 1
   ATOM 541 HD23 A LEU A 18 ? 1.42479 27.37648 47.46955 0.437 22.73126 H ? A ? 17 HD23 1
   ATOM 542 N B LEU A 18 ? 4.48828 31.06329 45.97282 0.563 19.25653 N ? A ? 17 N 1
   ATOM 543 CA B LEU A 18 ? 4.45997 29.80675 46.75193 0.563 18.96470 C ? A ? 17 CA 1
   ATOM 544 C B LEU A 18 ? 5.64693 28.91890 46.40335 0.563 20.36060 C ? A ? 17 C 1
   ATOM 545 O B LEU A 18 ? 6.38161 28.42874 47.30652 0.563 19.33754 O ? A ? 17 O 1
   ATOM 546 CB B LEU A 18 ? 3.18113 29.07375 46.48872 0.563 19.36809 C ? A ? 17 CB 1
   ATOM 547 CG B LEU A 18 ? 1.86491 29.78308 46.83086 0.563 19.33448 C ? A ? 17 CG 1
   ATOM 548 CD1 B LEU A 18 ? 0.70541 28.98751 46.32339 0.563 23.72722 C ? A ? 17 CD1 1
   ATOM 549 CD2 B LEU A 18 ? 1.53865 30.04081 48.32283 0.563 20.13092 C ? A ? 17 CD2 1
   ATOM 550 H B LEU A 18 ? 3.84579 31.15868 45.40917 0.563 23.13900 H ? A ? 17 H 1
   ATOM 551 HA B LEU A 18 ? 4.50364 30.02376 47.69634 0.563 22.78879 H ? A ? 17 HA 1
   ATOM 552 HB2 B LEU A 18 ? 3.14895 28.86732 45.54149 0.563 23.27287 H ? A ? 17 HB2 1
   ATOM 553 HB3 B LEU A 18 ? 3.19911 28.25373 47.00655 0.563 23.27287 H ? A ? 17 HB3 1
   ATOM 554 HG B LEU A 18 ? 1.98929 30.65086 46.41568 0.563 23.23253 H ? A ? 17 HG 1
   ATOM 555 HD11 B LEU A 18 ? -0.11193 29.48624 46.47872 0.563 28.50382 H ? A ? 17 HD11 1
   ATOM 556 HD12 B LEU A 18 ? 0.82170 28.83069 45.37324 0.563 28.50382 H ? A ? 17 HD12 1
   ATOM 557 HD13 B LEU A 18 ? 0.67164 28.14144 46.79659 0.563 28.50382 H ? A ? 17 HD13 1
   ATOM 558 HD21 B LEU A 18 ? 0.65220 30.42889 48.38979 0.563 24.18826 H ? A ? 17 HD21 1
   ATOM 559 HD22 B LEU A 18 ? 1.56800 29.19829 48.80262 0.563 24.18826 H ? A ? 17 HD22 1
   ATOM 560 HD23 B LEU A 18 ? 2.19621 30.65290 48.68872 0.563 24.18826 H ? A ? 17 HD23 1
   ATOM 561 N . MET A 19 ? 5.94391 28.78255 45.14095 1.000 19.73974 N ? A ? 18 N 1
   ATOM 562 CA . MET A 19 ? 7.03747 27.93276 44.76156 1.000 19.87887 C ? A ? 18 CA 1
   ATOM 563 C . MET A 19 ? 8.21480 28.39549 45.42804 1.000 17.86770 C ? A ? 18 C 1
   ATOM 564 O . MET A 19 ? 8.99509 27.58828 45.99534 1.000 21.98505 O ? A ? 18 O 1
   ATOM 565 HA . MET A 19 ? 6.81934 27.01002 44.96621 1.000 23.88580 H ? A ? 18 HA 1
   ATOM 566 CB A MET A 19 ? 7.30970 28.11350 43.25392 0.544 29.96933 C ? A ? 18 CB 1
   ATOM 567 CG A MET A 19 ? 7.23591 26.98566 42.50774 0.544 25.49480 C ? A ? 18 CG 1
   ATOM 568 SD A MET A 19 ? 8.00958 27.02741 40.92490 0.544 14.64793 S ? A ? 18 SD 1
   ATOM 569 CE A MET A 19 ? 9.26322 25.89468 41.51986 0.544 39.46074 C ? A ? 18 CE 1
   ATOM 570 H A MET A 19 ? 5.60550 29.22273 44.48420 0.437 23.71885 H ? A ? 18 H 1
   ATOM 571 HB2 A MET A 19 ? 6.65726 28.73740 42.89901 0.544 35.99435 H ? A ? 18 HB2 1
   ATOM 572 HB3 A MET A 19 ? 8.20447 28.47235 43.14661 0.544 35.99435 H ? A ? 18 HB3 1
   ATOM 573 HG2 A MET A 19 ? 7.65381 26.26702 43.00756 0.544 30.62491 H ? A ? 18 HG2 1
   ATOM 574 HG3 A MET A 19 ? 6.29867 26.78488 42.35885 0.544 30.62491 H ? A ? 18 HG3 1
   ATOM 575 HE1 A MET A 19 ? 10.13891 26.24745 41.29713 0.544 47.38404 H ? A ? 18 HE1 1
   ATOM 576 HE2 A MET A 19 ? 9.17740 25.80563 42.48195 0.544 47.38404 H ? A ? 18 HE2 1
   ATOM 577 HE3 A MET A 19 ? 9.13639 25.03185 41.09519 0.544 47.38404 H ? A ? 18 HE3 1
   ATOM 578 CB B MET A 19 ? 7.39627 28.03873 43.29029 0.456 30.10151 C ? A ? 18 CB 1
   ATOM 579 CG B MET A 19 ? 6.45585 27.55129 42.58955 0.456 17.61494 C ? A ? 18 CG 1
   ATOM 580 SD B MET A 19 ? 6.97932 27.63943 40.67559 0.456 16.65699 S ? A ? 18 SD 1
   ATOM 581 CE B MET A 19 ? 8.73350 27.30290 40.43178 0.456 15.70211 C ? A ? 18 CE 1
   ATOM 582 H B MET A 19 ? 5.53396 29.16579 44.48928 0.563 23.71885 H ? A ? 18 H 1
   ATOM 583 HB2 B MET A 19 ? 7.51819 28.97012 43.04835 0.456 36.15297 H ? A ? 18 HB2 1
   ATOM 584 HB3 B MET A 19 ? 8.20995 27.54094 43.11411 0.456 36.15297 H ? A ? 18 HB3 1
   ATOM 585 HG2 B MET A 19 ? 6.30511 26.62501 42.83487 0.456 21.16909 H ? A ? 18 HG2 1
   ATOM 586 HG3 B MET A 19 ? 5.64382 28.06549 42.72034 0.456 21.16909 H ? A ? 18 HG3 1
   ATOM 587 HE1 B MET A 19 ? 8.88279 27.06136 39.50428 0.456 18.87369 H ? A ? 18 HE1 1
   ATOM 588 HE2 B MET A 19 ? 9.24146 28.09936 40.65207 0.456 18.87369 H ? A ? 18 HE2 1
   ATOM 589 HE3 B MET A 19 ? 8.99813 26.57111 41.01088 0.456 18.87369 H ? A ? 18 HE3 1
   ATOM 590 N A ALA A 20 ? 8.43463 29.69456 45.41170 0.731 21.29296 N ? A ? 19 N 1
   ATOM 591 CA A ALA A 20 ? 9.60531 30.21631 45.93600 0.731 17.32692 C ? A ? 19 CA 1
   ATOM 592 C A ALA A 20 ? 9.72482 29.95159 47.43819 0.731 18.44346 C ? A ? 19 C 1
   ATOM 593 O A ALA A 20 ? 10.79282 29.72140 47.95772 0.731 21.13300 O ? A ? 19 O 1
   ATOM 594 CB A ALA A 20 ? 9.80751 31.74279 45.71522 0.731 23.09784 C ? A ? 19 CB 1
   ATOM 595 H A ALA A 20 ? 7.89407 30.28127 45.09052 0.731 25.58271 H ? A ? 19 H 1
   ATOM 596 HA A ALA A 20 ? 10.30144 29.76399 45.43429 0.731 20.82346 H ? A ? 19 HA 1
   ATOM 597 HB1 A ALA A 20 ? 10.64057 32.01444 46.13132 0.731 27.74856 H ? A ? 19 HB1 1
   ATOM 598 HB2 A ALA A 20 ? 9.83957 31.92258 44.76257 0.731 27.74856 H ? A ? 19 HB2 1
   ATOM 599 HB3 A ALA A 20 ? 9.06557 32.22105 46.11732 0.731 27.74856 H ? A ? 19 HB3 1
   ATOM 600 N B ALA A 20 ? 8.48725 29.71917 45.45196 0.269 20.58257 N ? A ? 19 N 1
   ATOM 601 CA B ALA A 20 ? 9.74702 30.25064 46.01428 0.269 19.66549 C ? A ? 19 CA 1
   ATOM 602 C B ALA A 20 ? 9.84629 30.12913 47.53822 0.269 18.42641 C ? A ? 19 C 1
   ATOM 603 O B ALA A 20 ? 10.99845 30.08546 48.13578 0.269 12.85152 O ? A ? 19 O 1
   ATOM 604 CB B ALA A 20 ? 9.93446 31.73789 45.67119 0.269 22.78422 C ? A ? 19 CB 1
   ATOM 605 H B ALA A 20 ? 7.96052 30.32809 45.14967 0.269 24.73024 H ? A ? 19 H 1
   ATOM 606 HA B ALA A 20 ? 10.44837 29.72068 45.60422 0.269 23.62975 H ? A ? 19 HA 1
   ATOM 607 HB1 B ALA A 20 ? 10.76362 32.05086 46.06543 0.269 27.37222 H ? A ? 19 HB1 1
   ATOM 608 HB2 B ALA A 20 ? 9.96829 31.83771 44.70694 0.269 27.37222 H ? A ? 19 HB2 1
   ATOM 609 HB3 B ALA A 20 ? 9.18693 32.24136 46.02983 0.269 27.37222 H ? A ? 19 HB3 1
   ATOM 610 N . SER A 21 ? 8.64800 30.07393 48.18949 1.000 16.30436 N ? A ? 20 N 1
   ATOM 611 CA . SER A 21 ? 8.67648 29.85985 49.62535 1.000 15.89780 C ? A ? 20 CA 1
   ATOM 612 C . SER A 21 ? 8.98278 28.35795 49.88108 1.000 16.35513 C ? A ? 20 C 1
   ATOM 613 O . SER A 21 ? 9.76028 28.04690 50.80563 1.000 16.47101 O ? A ? 20 O 1
   ATOM 614 CB . SER A 21 ? 7.36455 30.23260 50.23629 1.000 15.68701 C ? A ? 20 CB 1
   ATOM 615 OG . SER A 21 ? 7.24486 29.83731 51.57718 1.000 15.76028 O ? A ? 20 OG 1
   ATOM 616 HA . SER A 21 ? 9.34845 30.42102 50.04300 1.000 19.10852 H ? A ? 20 HA 1
   ATOM 617 HB2 . SER A 21 ? 7.26941 31.19691 50.19197 1.000 18.85556 H ? A ? 20 HB2 1
   ATOM 618 HB3 . SER A 21 ? 6.65774 29.80575 49.72725 1.000 18.85556 H ? A ? 20 HB3 1
   ATOM 619 HG . SER A 21 ? 8.00681 29.74202 51.91772 1.000 18.94349 H ? A ? 20 HG 1
   ATOM 620 H A SER A 21 ? 7.87005 30.28440 47.88935 0.731 19.59639 H ? A ? 20 H 1
   ATOM 621 H B SER A 21 ? 7.87111 30.15423 47.82950 0.269 19.59639 H ? A ? 20 H 1
   ATOM 622 N . HIS A 22 ? 8.33988 27.42068 49.14976 1.000 15.37634 N ? A ? 21 N 1
   ATOM 623 CA . HIS A 22 ? 8.60790 25.96637 49.35528 1.000 15.91225 C ? A ? 21 CA 1
   ATOM 624 C . HIS A 22 ? 10.01165 25.61880 48.90617 1.000 15.96286 C ? A ? 21 C 1
   ATOM 625 O . HIS A 22 ? 10.53374 24.64494 49.52542 1.000 17.45599 O ? A ? 21 O 1
   ATOM 626 H . HIS A 22 ? 7.75644 27.58979 48.54100 1.000 18.48276 H ? A ? 21 H 1
   ATOM 627 HA . HIS A 22 ? 8.63280 25.68853 50.28431 1.000 19.12585 H ? A ? 21 HA 1
   ATOM 628 CB A HIS A 22 ? 7.61778 25.13411 48.70630 0.454 17.80489 C ? A ? 21 CB 1
   ATOM 629 CG A HIS A 22 ? 6.35923 25.25795 49.41960 0.454 15.92471 C ? A ? 21 CG 1
   ATOM 630 ND1 A HIS A 22 ? 6.10793 24.53132 50.54550 0.454 14.46230 N ? A ? 21 ND1 1
   ATOM 631 CD2 A HIS A 22 ? 5.34517 26.13906 49.29885 0.454 13.26265 C ? A ? 21 CD2 1
   ATOM 632 CE1 A HIS A 22 ? 4.96166 24.92561 51.08113 0.454 17.87219 C ? A ? 21 CE1 1
   ATOM 633 NE2 A HIS A 22 ? 4.47474 25.89660 50.31632 0.454 12.08613 N ? A ? 21 NE2 1
   ATOM 634 HB2 A HIS A 22 ? 7.49175 25.42435 47.78936 0.454 21.39702 H ? A ? 21 HB2 1
   ATOM 635 HB3 A HIS A 22 ? 7.90206 24.20688 48.72468 0.454 21.39702 H ? A ? 21 HB3 1
   ATOM 636 HD2 A HIS A 22 ? 5.25716 26.79144 48.64192 0.454 15.94634 H ? A ? 21 HD2 1
   ATOM 637 HE1 A HIS A 22 ? 4.56940 24.58454 51.85230 0.454 21.47779 H ? A ? 21 HE1 1
   ATOM 638 HE2 A HIS A 22 ? 3.72930 26.30608 50.44376 0.454 14.53451 H ? A ? 21 HE2 1
   ATOM 639 CB B HIS A 22 ? 7.40290 25.13937 48.86146 0.546 16.90112 C ? A ? 21 CB 1
   ATOM 640 CG B HIS A 22 ? 6.18092 25.15770 49.74728 0.546 16.80387 C ? A ? 21 CG 1
   ATOM 641 ND1 B HIS A 22 ? 6.01652 24.34213 50.86585 0.546 15.82505 N ? A ? 21 ND1 1
   ATOM 642 CD2 B HIS A 22 ? 5.11605 25.99695 49.75033 0.546 13.58648 C ? A ? 21 CD2 1
   ATOM 643 CE1 B HIS A 22 ? 4.86807 24.63404 51.44735 0.546 16.26692 C ? A ? 21 CE1 1
   ATOM 644 NE2 B HIS A 22 ? 4.31119 25.63845 50.80905 0.546 15.50062 N ? A ? 21 NE2 1
   ATOM 645 HB2 B HIS A 22 ? 7.13394 25.48291 47.99512 0.546 20.31250 H ? A ? 21 HB2 1
   ATOM 646 HB3 B HIS A 22 ? 7.68323 24.21442 48.77910 0.546 20.31250 H ? A ? 21 HB3 1
   ATOM 647 HD2 B HIS A 22 ? 4.95807 26.68783 49.14814 0.546 16.33493 H ? A ? 21 HD2 1
   ATOM 648 HE1 B HIS A 22 ? 4.51122 24.19958 52.18816 0.546 19.55146 H ? A ? 21 HE1 1
   ATOM 649 HE2 B HIS A 22 ? 3.56513 26.01153 51.01836 0.546 18.63190 H ? A ? 21 HE2 1
   ATOM 650 N . PHE A 23 ? 10.66430 26.28013 47.98120 1.000 16.83227 N ? A ? 22 N 1
   ATOM 651 CA . PHE A 23 ? 12.02441 26.03070 47.66685 1.000 15.20757 C ? A ? 22 CA 1
   ATOM 652 C . PHE A 23 ? 12.92342 26.64623 48.67756 1.000 17.07641 C ? A ? 22 C 1
   ATOM 653 O . PHE A 23 ? 13.75854 26.00294 49.34741 1.000 17.15183 O ? A ? 22 O 1
   ATOM 654 H . PHE A 23 ? 10.31704 26.90591 47.50433 1.000 20.22988 H ? A ? 22 H 1
   ATOM 655 HA . PHE A 23 ? 12.19011 25.07499 47.67483 1.000 18.28024 H ? A ? 22 HA 1
   ATOM 656 CB A PHE A 23 ? 12.34034 26.55310 46.20558 0.659 16.38650 C ? A ? 22 CB 1
   ATOM 657 CG A PHE A 23 ? 13.78923 26.44007 45.82159 0.659 14.82123 C ? A ? 22 CG 1
   ATOM 658 CD1 A PHE A 23 ? 14.31540 25.17448 45.43913 0.659 18.62774 C ? A ? 22 CD1 1
   ATOM 659 CD2 A PHE A 23 ? 14.65527 27.51340 45.85358 0.659 19.19015 C ? A ? 22 CD2 1
   ATOM 660 CE1 A PHE A 23 ? 15.61618 25.02084 45.06049 0.659 16.29393 C ? A ? 22 CE1 1
   ATOM 661 CE2 A PHE A 23 ? 16.03530 27.34476 45.49294 0.659 17.54040 C ? A ? 22 CE2 1
   ATOM 662 CZ A PHE A 23 ? 16.49168 26.07487 45.14793 0.659 21.88015 C ? A ? 22 CZ 1
   ATOM 663 HB2 A PHE A 23 ? 11.82428 26.03279 45.57008 0.659 19.69495 H ? A ? 22 HB2 1
   ATOM 664 HB3 A PHE A 23 ? 12.09110 27.48878 46.14828 0.659 19.69495 H ? A ? 22 HB3 1
   ATOM 665 HD1 A PHE A 23 ? 13.75637 24.43131 45.44769 0.659 22.38444 H ? A ? 22 HD1 1
   ATOM 666 HD2 A PHE A 23 ? 14.34367 28.35123 46.11021 0.659 23.05934 H ? A ? 22 HD2 1
   ATOM 667 HE1 A PHE A 23 ? 15.91164 24.19868 44.74167 0.659 19.58387 H ? A ? 22 HE1 1
   ATOM 668 HE2 A PHE A 23 ? 16.61497 28.07199 45.48984 0.659 21.07964 H ? A ? 22 HE2 1
   ATOM 669 HZ A PHE A 23 ? 17.39557 25.93998 44.97561 0.659 26.28733 H ? A ? 22 HZ 1
   ATOM 670 CB B PHE A 23 ? 12.29929 26.52889 46.21457 0.341 16.34635 C ? A ? 22 CB 1
   ATOM 671 CG B PHE A 23 ? 13.65092 26.20881 45.74666 0.341 16.48467 C ? A ? 22 CG 1
   ATOM 672 CD1 B PHE A 23 ? 14.05905 24.86519 45.63903 0.341 12.98600 C ? A ? 22 CD1 1
   ATOM 673 CD2 B PHE A 23 ? 14.58951 27.20266 45.48033 0.341 12.44900 C ? A ? 22 CD2 1
   ATOM 674 CE1 B PHE A 23 ? 15.41418 24.57865 45.24836 0.341 15.04023 C ? A ? 22 CE1 1
   ATOM 675 CE2 B PHE A 23 ? 15.88928 26.89563 45.10222 0.341 13.88210 C ? A ? 22 CE2 1
   ATOM 676 CZ B PHE A 23 ? 16.28371 25.59785 44.95515 0.341 14.18355 C ? A ? 22 CZ 1
   ATOM 677 HB2 B PHE A 23 ? 11.66629 26.10794 45.61207 0.341 19.64678 H ? A ? 22 HB2 1
   ATOM 678 HB3 B PHE A 23 ? 12.19318 27.49267 46.18681 0.341 19.64678 H ? A ? 22 HB3 1
   ATOM 679 HD1 B PHE A 23 ? 13.46255 24.17437 45.81750 0.341 15.61436 H ? A ? 22 HD1 1
   ATOM 680 HD2 B PHE A 23 ? 14.33898 28.09492 45.55780 0.341 14.96995 H ? A ? 22 HD2 1
   ATOM 681 HE1 B PHE A 23 ? 15.70230 23.69606 45.19436 0.341 18.07943 H ? A ? 22 HE1 1
   ATOM 682 HE2 B PHE A 23 ? 16.49769 27.58177 44.94750 0.341 16.68967 H ? A ? 22 HE2 1
   ATOM 683 HZ B PHE A 23 ? 17.14270 25.40425 44.65590 0.341 17.05142 H ? A ? 22 HZ 1
   ATOM 684 N A GLY A 24 ? 12.78716 27.95436 48.86492 0.638 17.75338 N ? A ? 23 N 1
   ATOM 685 CA A GLY A 24 ? 13.65706 28.72644 49.71313 0.638 16.55974 C ? A ? 23 CA 1
   ATOM 686 C A GLY A 24 ? 13.64248 28.32807 51.17180 0.638 14.58236 C ? A ? 23 C 1
   ATOM 687 O A GLY A 24 ? 14.67286 28.47532 51.83780 0.638 17.79008 O ? A ? 23 O 1
   ATOM 688 H A GLY A 24 ? 12.17334 28.42973 48.49500 0.638 21.33522 H ? A ? 23 H 1
   ATOM 689 HA2 A GLY A 24 ? 14.56741 28.63414 49.39120 0.638 19.90284 H ? A ? 23 HA2 1
   ATOM 690 HA3 A GLY A 24 ? 13.39614 29.65914 49.65942 0.638 19.90284 H ? A ? 23 HA3 1
   ATOM 691 N B GLY A 24 ? 12.78340 27.95514 48.86711 0.362 17.62532 N ? A ? 23 N 1
   ATOM 692 CA B GLY A 24 ? 13.68455 28.71388 49.70376 0.362 16.85200 C ? A ? 23 CA 1
   ATOM 693 C B GLY A 24 ? 13.65900 28.34103 51.17134 0.362 14.94038 C ? A ? 23 C 1
   ATOM 694 O B GLY A 24 ? 14.67803 28.49101 51.85560 0.362 17.73173 O ? A ? 23 O 1
   ATOM 695 H B GLY A 24 ? 12.16091 28.43147 48.51323 0.362 21.18154 H ? A ? 23 H 1
   ATOM 696 HA2 B GLY A 24 ? 14.59050 28.58446 49.38221 0.362 20.25356 H ? A ? 23 HA2 1
   ATOM 697 HA3 B GLY A 24 ? 13.45603 29.65401 49.63419 0.362 20.25356 H ? A ? 23 HA3 1
   ATOM 698 N . ARG A 25 ? 12.54411 27.87305 51.67200 1.000 16.22793 N ? A ? 24 N 1
   ATOM 699 CA . ARG A 25 ? 12.44449 27.45954 53.07805 1.000 15.95628 C ? A ? 24 CA 1
   ATOM 700 C . ARG A 25 ? 13.42762 26.33891 53.36424 1.000 17.00773 C ? A ? 24 C 1
   ATOM 701 O . ARG A 25 ? 13.70472 26.06352 54.56508 1.000 17.96857 O ? A ? 24 O 1
   ATOM 702 CB . ARG A 25 ? 11.07030 27.13181 53.52123 1.000 16.66756 C ? A ? 24 CB 1
   ATOM 703 CG . ARG A 25 ? 10.52527 25.88024 52.97033 1.000 16.03128 C ? A ? 24 CG 1
   ATOM 704 CD . ARG A 25 ? 9.17135 25.51454 53.38265 1.000 16.06250 C ? A ? 24 CD 1
   ATOM 705 NE . ARG A 25 ? 8.20923 26.59851 53.04808 1.000 16.62944 N ? A ? 24 NE 1
   ATOM 706 CZ . ARG A 25 ? 7.00437 26.66521 53.54442 1.000 15.78365 C ? A ? 24 CZ 1
   ATOM 707 NH1 . ARG A 25 ? 6.56774 25.79842 54.43895 1.000 18.42299 N ? A ? 24 NH1 1
   ATOM 708 NH2 . ARG A 25 ? 6.22119 27.70075 53.22878 1.000 16.82576 N ? A ? 24 NH2 1
   ATOM 709 HA . ARG A 25 ? 12.66005 28.22468 53.63392 1.000 19.17869 H ? A ? 24 HA 1
   ATOM 710 HB2 . ARG A 25 ? 11.07018 27.04939 54.48773 1.000 20.03223 H ? A ? 24 HB2 1
   ATOM 711 HB3 . ARG A 25 ? 10.47955 27.85160 53.24957 1.000 20.03223 H ? A ? 24 HB3 1
   ATOM 712 HG2 . ARG A 25 ? 10.51508 25.95621 52.00336 1.000 19.26870 H ? A ? 24 HG2 1
   ATOM 713 HG3 . ARG A 25 ? 11.10846 25.15352 53.23989 1.000 19.26870 H ? A ? 24 HG3 1
   ATOM 714 HD2 . ARG A 25 ? 8.89876 24.70658 52.92026 1.000 19.30615 H ? A ? 24 HD2 1
   ATOM 715 HD3 . ARG A 25 ? 9.15235 25.37039 54.34169 1.000 19.30615 H ? A ? 24 HD3 1
   ATOM 716 HE . ARG A 25 ? 8.45969 27.21207 52.49997 1.000 19.98648 H ? A ? 24 HE 1
   ATOM 717 HH11 . ARG A 25 ? 7.08247 25.16570 54.71157 1.000 22.13875 H ? A ? 24 HH11 1
   ATOM 718 HH12 . ARG A 25 ? 5.76853 25.86638 54.74917 1.000 22.13875 H ? A ? 24 HH12 1
   ATOM 719 HH21 . ARG A 25 ? 6.51255 28.31562 52.70283 1.000 20.22207 H ? A ? 24 HH21 1
   ATOM 720 HH22 . ARG A 25 ? 5.42574 27.75237 53.55159 1.000 20.22207 H ? A ? 24 HH22 1
   ATOM 721 H A ARG A 25 ? 11.81148 27.78147 51.23100 0.638 19.50467 H ? A ? 24 H 1
   ATOM 722 H B ARG A 25 ? 11.81393 27.77737 51.22783 0.362 19.50467 H ? A ? 24 H 1
   ATOM 723 N A MET A 26 ? 13.93260 25.61179 52.35682 0.308 15.79477 N ? A ? 25 N 1
   ATOM 724 CA A MET A 26 ? 14.82829 24.47678 52.62499 0.308 15.59048 C ? A ? 25 CA 1
   ATOM 725 C A MET A 26 ? 16.26411 24.91197 52.64165 0.308 16.31077 C ? A ? 25 C 1
   ATOM 726 O A MET A 26 ? 17.14410 24.09348 52.96362 0.308 17.89478 O ? A ? 25 O 1
   ATOM 727 CB A MET A 26 ? 14.54472 23.33373 51.63443 0.308 17.14460 C ? A ? 25 CB 1
   ATOM 728 CG A MET A 26 ? 13.24141 22.72433 51.85714 0.308 13.47352 C ? A ? 25 CG 1
   ATOM 729 SD A MET A 26 ? 12.97063 21.29025 50.78885 0.308 12.06536 S ? A ? 25 SD 1
   ATOM 730 CE A MET A 26 ? 12.74256 22.09522 49.17514 0.308 15.10621 C ? A ? 25 CE 1
   ATOM 731 H A MET A 26 ? 13.77348 25.75431 51.52377 0.308 18.98488 H ? A ? 25 H 1
   ATOM 732 HA A MET A 26 ? 14.64264 24.08605 53.49319 0.308 18.73973 H ? A ? 25 HA 1
   ATOM 733 HB2 A MET A 26 ? 14.56457 23.68437 50.73025 0.308 20.60468 H ? A ? 25 HB2 1
   ATOM 734 HB3 A MET A 26 ? 15.22192 22.64716 51.73895 0.308 20.60468 H ? A ? 25 HB3 1
   ATOM 735 HG2 A MET A 26 ? 13.18026 22.43073 52.77961 0.308 16.19938 H ? A ? 25 HG2 1
   ATOM 736 HG3 A MET A 26 ? 12.54835 23.37666 51.66997 0.308 16.19938 H ? A ? 25 HG3 1
   ATOM 737 HE1 A MET A 26 ? 12.57601 21.41522 48.50375 0.308 18.15861 H ? A ? 25 HE1 1
   ATOM 738 HE2 A MET A 26 ? 11.98610 22.70009 49.22806 0.308 18.15861 H ? A ? 25 HE2 1
   ATOM 739 HE3 A MET A 26 ? 13.54670 22.58990 48.95253 0.308 18.15861 H ? A ? 25 HE3 1
   ATOM 740 N B MET A 26 ? 13.92025 25.60486 52.34552 0.363 15.83209 N ? A ? 25 N 1
   ATOM 741 CA B MET A 26 ? 14.81012 24.45609 52.60095 0.363 15.74901 C ? A ? 25 CA 1
   ATOM 742 C B MET A 26 ? 16.24222 24.92570 52.67902 0.363 16.07997 C ? A ? 25 C 1
   ATOM 743 O B MET A 26 ? 17.12588 24.13984 53.05995 0.363 17.78648 O ? A ? 25 O 1
   ATOM 744 CB B MET A 26 ? 14.60346 23.30154 51.53798 0.363 17.46075 C ? A ? 25 CB 1
   ATOM 745 CG B MET A 26 ? 13.24309 22.56406 51.44374 0.363 13.63225 C ? A ? 25 CG 1
   ATOM 746 SD B MET A 26 ? 12.99937 21.22577 50.34066 0.363 13.67125 S ? A ? 25 SD 1
   ATOM 747 CE B MET A 26 ? 12.95578 22.23272 48.82015 0.363 14.09706 C ? A ? 25 CE 1
   ATOM 748 H B MET A 26 ? 13.75563 25.75107 51.51418 0.363 19.02967 H ? A ? 25 H 1
   ATOM 749 HA B MET A 26 ? 14.57444 24.02046 53.43496 0.363 18.92996 H ? A ? 25 HA 1
   ATOM 750 HB2 B MET A 26 ? 14.76097 23.68694 50.66188 0.363 20.98405 H ? A ? 25 HB2 1
   ATOM 751 HB3 B MET A 26 ? 15.26660 22.61852 51.72405 0.363 20.98405 H ? A ? 25 HB3 1
   ATOM 752 HG2 B MET A 26 ? 13.05167 22.21263 52.32735 0.363 16.38985 H ? A ? 25 HG2 1
   ATOM 753 HG3 B MET A 26 ? 12.57933 23.22801 51.19982 0.363 16.38985 H ? A ? 25 HG3 1
   ATOM 754 HE1 B MET A 26 ? 12.80332 21.65006 48.05978 0.363 16.94763 H ? A ? 25 HE1 1
   ATOM 755 HE2 B MET A 26 ? 12.23661 22.87983 48.89044 0.363 16.94763 H ? A ? 25 HE2 1
   ATOM 756 HE3 B MET A 26 ? 13.80475 22.69121 48.72056 0.363 16.94763 H ? A ? 25 HE3 1
   ATOM 757 N C MET A 26 ? 14.00189 25.67281 52.34618 0.329 15.54519 N ? A ? 25 N 1
   ATOM 758 CA C MET A 26 ? 14.87022 24.52586 52.62734 0.329 15.36505 C ? A ? 25 CA 1
   ATOM 759 C C MET A 26 ? 16.27108 24.96449 52.73439 0.329 16.52940 C ? A ? 25 C 1
   ATOM 760 O C MET A 26 ? 17.13456 24.18933 53.15778 0.329 17.58799 O ? A ? 25 O 1
   ATOM 761 CB C MET A 26 ? 14.78902 23.50503 51.51915 0.329 18.38827 C ? A ? 25 CB 1
   ATOM 762 CG C MET A 26 ? 13.50060 22.88153 51.49533 0.329 15.72324 C ? A ? 25 CG 1
   ATOM 763 SD C MET A 26 ? 13.59123 21.52972 50.41153 0.329 14.46058 S ? A ? 25 SD 1
   ATOM 764 CE C MET A 26 ? 13.38489 22.35328 48.84676 0.329 15.46179 C ? A ? 25 CE 1
   ATOM 765 H C MET A 26 ? 13.90411 25.86349 51.51330 0.329 18.68538 H ? A ? 25 H 1
   ATOM 766 HA C MET A 26 ? 14.57057 24.09025 53.44057 0.329 18.46922 H ? A ? 25 HA 1
   ATOM 767 HB2 C MET A 26 ? 14.93612 23.94212 50.66579 0.329 22.09708 H ? A ? 25 HB2 1
   ATOM 768 HB3 C MET A 26 ? 15.46080 22.81987 51.66112 0.329 22.09708 H ? A ? 25 HB3 1
   ATOM 769 HG2 C MET A 26 ? 13.26342 22.56735 52.38186 0.329 18.89905 H ? A ? 25 HG2 1
   ATOM 770 HG3 C MET A 26 ? 12.83139 23.50622 51.17468 0.329 18.89905 H ? A ? 25 HG3 1
   ATOM 771 HE1 C MET A 26 ? 13.33670 21.68721 48.14326 0.329 18.58531 H ? A ? 25 HE1 1
   ATOM 772 HE2 C MET A 26 ? 12.56522 22.87152 48.86832 0.329 18.58531 H ? A ? 25 HE2 1
   ATOM 773 HE3 C MET A 26 ? 14.14294 22.93940 48.69599 0.329 18.58531 H ? A ? 25 HE3 1
   ATOM 774 N D MET A 26 ? 13.92917 25.62846 52.34597 0.000 15.77192 N ? A ? 25 N 1
   ATOM 775 CA D MET A 26 ? 14.83099 24.51370 52.61063 0.000 15.42949 C ? A ? 25 CA 1
   ATOM 776 C D MET A 26 ? 16.29803 24.93170 52.66531 0.000 16.24538 C ? A ? 25 C 1
   ATOM 777 O D MET A 26 ? 17.16235 24.10326 52.96962 0.000 17.72795 O ? A ? 25 O 1
   ATOM 778 CB D MET A 26 ? 14.65446 23.42309 51.56228 0.000 17.20022 C ? A ? 25 CB 1
   ATOM 779 CG D MET A 26 ? 13.28554 22.76723 51.59321 0.000 15.13540 C ? A ? 25 CG 1
   ATOM 780 SD D MET A 26 ? 13.17115 21.35871 50.47575 0.000 14.86321 S ? A ? 25 SD 1
   ATOM 781 CE D MET A 26 ? 13.31574 22.16877 48.88533 0.000 14.88869 C ? A ? 25 CE 1
   ATOM 782 H D MET A 26 ? 13.76244 25.77384 51.51491 0.000 18.95746 H ? A ? 25 H 1
   ATOM 783 HA D MET A 26 ? 14.58722 24.13343 53.46905 0.000 18.54654 H ? A ? 25 HA 1
   ATOM 784 HB2 D MET A 26 ? 14.77735 23.81251 50.68243 0.000 20.67142 H ? A ? 25 HB2 1
   ATOM 785 HB3 D MET A 26 ? 15.31817 22.73239 51.71503 0.000 20.67142 H ? A ? 25 HB3 1
   ATOM 786 HG2 D MET A 26 ? 13.10456 22.45327 52.49298 0.000 18.19364 H ? A ? 25 HG2 1
   ATOM 787 HG3 D MET A 26 ? 12.61635 23.41733 51.32779 0.000 18.19364 H ? A ? 25 HG3 1
   ATOM 788 HE1 D MET A 26 ? 13.18354 21.51243 48.18345 0.000 17.89759 H ? A ? 25 HE1 1
   ATOM 789 HE2 D MET A 26 ? 12.64028 22.86200 48.82145 0.000 17.89759 H ? A ? 25 HE2 1
   ATOM 790 HE3 D MET A 26 ? 14.19991 22.56046 48.80966 0.000 17.89759 H ? A ? 25 HE3 1
   ATOM 791 N . THR A 27 ? 16.56955 26.19282 52.37744 1.000 17.16641 N ? A ? 26 N 1
   ATOM 792 CA . THR A 27 ? 17.94760 26.65913 52.40140 1.000 16.68881 C ? A ? 26 CA 1
   ATOM 793 C . THR A 27 ? 18.65943 26.40065 53.71953 1.000 16.91664 C ? A ? 26 C 1
   ATOM 794 O . THR A 27 ? 19.79171 25.89300 53.68140 1.000 17.82746 O ? A ? 26 O 1
   ATOM 795 CB . THR A 27 ? 18.04261 28.16285 52.06592 1.000 20.22696 C ? A ? 26 CB 1
   ATOM 796 OG1 . THR A 27 ? 17.69617 28.32495 50.69901 1.000 20.96009 O ? A ? 26 OG1 1
   ATOM 797 CG2 . THR A 27 ? 19.47446 28.65472 52.14990 1.000 25.11479 C ? A ? 26 CG2 1
   ATOM 798 HA . THR A 27 ? 18.38681 26.15560 51.69824 1.000 20.05773 H ? A ? 26 HA 1
   ATOM 799 HB . THR A 27 ? 17.47429 28.65423 52.67948 1.000 24.30351 H ? A ? 26 HB 1
   ATOM 800 HG1 . THR A 27 ? 16.88567 28.13679 50.58378 1.000 25.18326 H ? A ? 26 HG1 1
   ATOM 801 HG21 . THR A 27 ? 19.56611 29.49258 51.66980 1.000 30.16891 H ? A ? 26 HG21 1
   ATOM 802 HG22 . THR A 27 ? 19.72349 28.79424 53.07694 1.000 30.16891 H ? A ? 26 HG22 1
   ATOM 803 HG23 . THR A 27 ? 20.07361 28.00022 51.75806 1.000 30.16891 H ? A ? 26 HG23 1
   ATOM 804 H A THR A 27 ? 15.99496 26.80256 52.18338 0.308 20.63085 H ? A ? 26 H 1
   ATOM 805 H B THR A 27 ? 16.00222 26.79976 52.15528 0.363 20.63085 H ? A ? 26 H 1
   ATOM 806 H C THR A 27 ? 15.99826 26.78037 52.11666 0.329 20.63085 H ? A ? 26 H 1
   ATOM 807 H D THR A 27 ? 15.98722 26.79018 52.16852 0.000 20.63085 H ? A ? 26 H 1
   ATOM 808 N . PRO A 28 ? 18.08181 26.65366 54.86604 1.000 16.78907 N ? A ? 27 N 1
   ATOM 809 CA . PRO A 28 ? 18.83787 26.40418 56.09982 1.000 17.00709 C ? A ? 27 CA 1
   ATOM 810 C . PRO A 28 ? 19.11756 24.90218 56.24247 1.000 17.08804 C ? A ? 27 C 1
   ATOM 811 O . PRO A 28 ? 20.10364 24.54583 56.91103 1.000 17.01547 O ? A ? 27 O 1
   ATOM 812 CB . PRO A 28 ? 17.96924 26.92232 57.20903 1.000 17.68041 C ? A ? 27 CB 1
   ATOM 813 CG . PRO A 28 ? 17.10086 28.05042 56.55839 1.000 18.56567 C ? A ? 27 CG 1
   ATOM 814 CD . PRO A 28 ? 16.80826 27.40812 55.17497 1.000 18.93134 C ? A ? 27 CD 1
   ATOM 815 HA . PRO A 28 ? 19.65356 26.92859 56.12307 1.000 20.43966 H ? A ? 27 HA 1
   ATOM 816 HB2 . PRO A 28 ? 17.40926 26.20742 57.54999 1.000 21.24764 H ? A ? 27 HB2 1
   ATOM 817 HB3 . PRO A 28 ? 18.52267 27.27874 57.92147 1.000 21.24764 H ? A ? 27 HB3 1
   ATOM 818 HG2 . PRO A 28 ? 16.28946 28.20458 57.06709 1.000 22.30996 H ? A ? 27 HG2 1
   ATOM 819 HG3 . PRO A 28 ? 17.60356 28.87603 56.47742 1.000 22.30996 H ? A ? 27 HG3 1
   ATOM 820 HD2 . PRO A 28 ? 16.05245 26.80249 55.22837 1.000 22.74876 H ? A ? 27 HD2 1
   ATOM 821 HD3 . PRO A 28 ? 16.64017 28.09029 54.50617 1.000 22.74876 H ? A ? 27 HD3 1
   ATOM 822 N . VAL A 29 ? 18.21092 24.02792 55.83307 1.000 16.74900 N ? A ? 28 N 1
   ATOM 823 CA . VAL A 29 ? 18.42837 22.57850 55.90853 1.000 14.96823 C ? A ? 28 CA 1
   ATOM 824 C . VAL A 29 ? 19.61706 22.18483 55.01962 1.000 18.62265 C ? A ? 28 C 1
   ATOM 825 O . VAL A 29 ? 20.51500 21.45149 55.45871 1.000 17.28160 O ? A ? 28 O 1
   ATOM 826 CB . VAL A 29 ? 17.15529 21.88147 55.56329 1.000 16.04323 C ? A ? 28 CB 1
   ATOM 827 CG1 . VAL A 29 ? 17.41008 20.32112 55.57978 1.000 18.72853 C ? A ? 28 CG1 1
   ATOM 828 CG2 . VAL A 29 ? 16.10404 22.17728 56.65220 1.000 17.93579 C ? A ? 28 CG2 1
   ATOM 829 H . VAL A 29 ? 17.44731 24.24334 55.50128 1.000 20.12996 H ? A ? 28 H 1
   ATOM 830 HA . VAL A 29 ? 18.66652 22.31003 56.80970 1.000 17.99303 H ? A ? 28 HA 1
   ATOM 831 HB . VAL A 29 ? 16.84514 22.17883 54.69365 1.000 19.28303 H ? A ? 28 HB 1
   ATOM 832 HG11 . VAL A 29 ? 16.55581 19.86164 55.58147 1.000 22.50539 H ? A ? 28 HG11 1
   ATOM 833 HG12 . VAL A 29 ? 17.91626 20.07542 54.78964 1.000 22.50539 H ? A ? 28 HG12 1
   ATOM 834 HG13 . VAL A 29 ? 17.91085 20.09132 56.37811 1.000 22.50539 H ? A ? 28 HG13 1
   ATOM 835 HG21 . VAL A 29 ? 15.29368 21.68348 56.45127 1.000 21.55410 H ? A ? 28 HG21 1
   ATOM 836 HG22 . VAL A 29 ? 16.45489 21.90090 57.51326 1.000 21.55410 H ? A ? 28 HG22 1
   ATOM 837 HG23 . VAL A 29 ? 15.91775 23.12918 56.66102 1.000 21.55410 H ? A ? 28 HG23 1
   ATOM 838 N A VAL A 30 ? 19.61147 22.61651 53.74489 0.438 18.06434 N ? A ? 29 N 1
   ATOM 839 CA A VAL A 30 ? 20.68541 22.25105 52.84246 0.438 19.61216 C ? A ? 29 CA 1
   ATOM 840 C A VAL A 30 ? 22.00093 22.73318 53.37617 0.438 20.01399 C ? A ? 29 C 1
   ATOM 841 O A VAL A 30 ? 23.02571 22.02985 53.24060 0.438 21.74494 O ? A ? 29 O 1
   ATOM 842 CB A VAL A 30 ? 20.37669 22.81047 51.43667 0.438 20.75001 C ? A ? 29 CB 1
   ATOM 843 CG1 A VAL A 30 ? 21.61097 22.98304 50.67395 0.438 22.52545 C ? A ? 29 CG1 1
   ATOM 844 CG2 A VAL A 30 ? 19.38033 21.93397 50.73109 0.438 21.67370 C ? A ? 29 CG2 1
   ATOM 845 H A VAL A 30 ? 19.00239 23.11307 53.39554 0.438 21.70836 H ? A ? 29 H 1
   ATOM 846 HA A VAL A 30 ? 20.74392 21.28505 52.77682 0.438 23.56575 H ? A ? 29 HA 1
   ATOM 847 HB A VAL A 30 ? 19.97148 23.68821 51.51586 0.438 24.93117 H ? A ? 29 HB 1
   ATOM 848 HG11 A VAL A 30 ? 21.39057 23.08070 49.73438 0.438 27.06170 H ? A ? 29 HG11 1
   ATOM 849 HG12 A VAL A 30 ? 22.06938 23.77713 50.99045 0.438 27.06170 H ? A ? 29 HG12 1
   ATOM 850 HG13 A VAL A 30 ? 22.17328 22.20317 50.80247 0.438 27.06170 H ? A ? 29 HG13 1
   ATOM 851 HG21 A VAL A 30 ? 19.20177 22.30309 49.85202 0.438 26.03960 H ? A ? 29 HG21 1
   ATOM 852 HG22 A VAL A 30 ? 19.74964 21.04105 50.64613 0.438 26.03960 H ? A ? 29 HG22 1
   ATOM 853 HG23 A VAL A 30 ? 18.56152 21.90524 51.25035 0.438 26.03960 H ? A ? 29 HG23 1
   ATOM 854 N B VAL A 30 ? 19.61928 22.59576 53.73682 0.349 17.91574 N ? A ? 29 N 1
   ATOM 855 CA B VAL A 30 ? 20.70013 22.16225 52.85165 0.349 19.32322 C ? A ? 29 CA 1
   ATOM 856 C B VAL A 30 ? 22.02664 22.81352 53.26140 0.349 20.01736 C ? A ? 29 C 1
   ATOM 857 O B VAL A 30 ? 23.09748 22.29081 52.92774 0.349 17.45982 O ? A ? 29 O 1
   ATOM 858 CB B VAL A 30 ? 20.29474 22.26564 51.34283 0.349 17.59178 C ? A ? 29 CB 1
   ATOM 859 CG1 B VAL A 30 ? 19.12802 21.28913 50.95286 0.349 16.20140 C ? A ? 29 CG1 1
   ATOM 860 CG2 B VAL A 30 ? 19.94726 23.68631 51.02364 0.349 17.85407 C ? A ? 29 CG2 1
   ATOM 861 H B VAL A 30 ? 19.02782 23.10487 53.37546 0.349 21.53005 H ? A ? 29 H 1
   ATOM 862 HA B VAL A 30 ? 20.85818 21.21004 52.94772 0.349 23.21902 H ? A ? 29 HA 1
   ATOM 863 HB B VAL A 30 ? 21.05205 21.98912 50.80347 0.349 21.14129 H ? A ? 29 HB 1
   ATOM 864 HG11 B VAL A 30 ? 18.90837 21.41744 50.01681 0.349 19.47284 H ? A ? 29 HG11 1
   ATOM 865 HG12 B VAL A 30 ? 19.41756 20.37552 51.10246 0.349 19.47284 H ? A ? 29 HG12 1
   ATOM 866 HG13 B VAL A 30 ? 18.35438 21.48540 51.50409 0.349 19.47284 H ? A ? 29 HG13 1
   ATOM 867 HG21 B VAL A 30 ? 19.87567 23.78536 50.06137 0.349 21.45604 H ? A ? 29 HG21 1
   ATOM 868 HG22 B VAL A 30 ? 19.10052 23.90612 51.44270 0.349 21.45604 H ? A ? 29 HG22 1
   ATOM 869 HG23 B VAL A 30 ? 20.64568 24.26656 51.36484 0.349 21.45604 H ? A ? 29 HG23 1
   ATOM 870 N C VAL A 30 ? 19.62388 22.63166 53.75410 0.213 17.91262 N ? A ? 29 N 1
   ATOM 871 CA C VAL A 30 ? 20.69414 22.19245 52.87009 0.213 19.28030 C ? A ? 29 CA 1
   ATOM 872 C C VAL A 30 ? 22.02665 22.77046 53.31934 0.213 20.02598 C ? A ? 29 C 1
   ATOM 873 O C VAL A 30 ? 23.08419 22.16617 53.08345 0.213 19.54141 O ? A ? 29 O 1
   ATOM 874 CB C VAL A 30 ? 20.36804 22.46488 51.38436 0.213 19.22583 C ? A ? 29 CB 1
   ATOM 875 CG1 C VAL A 30 ? 18.92057 22.26681 51.10999 0.213 18.19081 C ? A ? 29 CG1 1
   ATOM 876 CG2 C VAL A 30 ? 20.68512 23.88378 51.01717 0.213 21.06437 C ? A ? 29 CG2 1
   ATOM 877 H C VAL A 30 ? 19.04507 23.16404 53.40604 0.213 21.52630 H ? A ? 29 H 1
   ATOM 878 HA C VAL A 30 ? 20.76537 21.22744 52.93776 0.213 23.16752 H ? A ? 29 HA 1
   ATOM 879 HB C VAL A 30 ? 20.90238 21.84729 50.86094 0.213 23.10215 H ? A ? 29 HB 1
   ATOM 880 HG11 C VAL A 30 ? 18.78542 22.21292 50.15097 0.213 21.86012 H ? A ? 29 HG11 1
   ATOM 881 HG12 C VAL A 30 ? 18.62894 21.44351 51.53192 0.213 21.86012 H ? A ? 29 HG12 1
   ATOM 882 HG13 C VAL A 30 ? 18.42484 23.01777 51.47222 0.213 21.86012 H ? A ? 29 HG13 1
   ATOM 883 HG21 C VAL A 30 ? 20.26282 24.09247 50.16922 0.213 25.30840 H ? A ? 29 HG21 1
   ATOM 884 HG22 C VAL A 30 ? 20.34584 24.47249 51.70941 0.213 25.30840 H ? A ? 29 HG22 1
   ATOM 885 HG23 C VAL A 30 ? 21.64703 23.98283 50.94087 0.213 25.30840 H ? A ? 29 HG23 1
   ATOM 886 N . LYS A 31 ? 22.03170 23.92224 53.98202 1.000 18.16727 N ? A ? 30 N 1
   ATOM 887 CA . LYS A 31 ? 23.26435 24.42713 54.53728 1.000 19.06232 C ? A ? 30 CA 1
   ATOM 888 C . LYS A 31 ? 23.68000 23.81510 55.87523 1.000 20.50442 C ? A ? 30 C 1
   ATOM 889 O . LYS A 31 ? 24.75278 24.16826 56.43246 1.000 21.31065 O ? A ? 30 O 1
   ATOM 890 HA . LYS A 31 ? 23.97446 24.21301 53.91215 1.000 22.90594 H ? A ? 30 HA 1
   ATOM 891 CB A LYS A 31 ? 23.14426 25.96696 54.70626 0.624 22.24629 C ? A ? 30 CB 1
   ATOM 892 CG A LYS A 31 ? 22.95348 26.76397 53.35255 0.624 22.11799 C ? A ? 30 CG 1
   ATOM 893 CD A LYS A 31 ? 22.79444 28.26622 53.67258 0.624 32.69485 C ? A ? 30 CD 1
   ATOM 894 CE A LYS A 31 ? 22.90523 29.14155 52.42911 0.624 41.38030 C ? A ? 30 CE 1
   ATOM 895 NZ A LYS A 31 ? 22.58454 30.58734 52.76135 0.624 41.90045 N ? A ? 30 NZ 1
   ATOM 896 H A LYS A 31 ? 21.35352 24.44230 54.07801 0.438 21.83188 H ? A ? 30 H 1
   ATOM 897 HB2 A LYS A 31 ? 22.37698 26.15693 55.26849 0.624 26.72670 H ? A ? 30 HB2 1
   ATOM 898 HB3 A LYS A 31 ? 23.95383 26.29535 55.12775 0.624 26.72670 H ? A ? 30 HB3 1
   ATOM 899 HG2 A LYS A 31 ? 23.73072 26.64295 52.78497 0.624 26.57274 H ? A ? 30 HG2 1
   ATOM 900 HG3 A LYS A 31 ? 22.15680 26.45291 52.89489 0.624 26.57274 H ? A ? 30 HG3 1
   ATOM 901 HD2 A LYS A 31 ? 21.92190 28.41590 54.06902 0.624 39.26498 H ? A ? 30 HD2 1
   ATOM 902 HD3 A LYS A 31 ? 23.49082 28.53444 54.29226 0.624 39.26498 H ? A ? 30 HD3 1
   ATOM 903 HE2 A LYS A 31 ? 23.80979 29.09818 52.08156 0.624 49.68751 H ? A ? 30 HE2 1
   ATOM 904 HE3 A LYS A 31 ? 22.27678 28.83251 51.75795 0.624 49.68751 H ? A ? 30 HE3 1
   ATOM 905 HZ1 A LYS A 31 ? 22.75300 31.10590 52.05792 0.624 50.31170 H ? A ? 30 HZ1 1
   ATOM 906 HZ2 A LYS A 31 ? 21.72522 30.66623 52.97916 0.624 50.31170 H ? A ? 30 HZ2 1
   ATOM 907 HZ3 A LYS A 31 ? 23.08245 30.85979 53.44688 0.624 50.31170 H ? A ? 30 HZ3 1
   ATOM 908 CB B LYS A 31 ? 23.17329 25.95260 54.69230 0.376 22.30772 C ? A ? 30 CB 1
   ATOM 909 CG B LYS A 31 ? 23.08382 26.68461 53.33536 0.376 22.41343 C ? A ? 30 CG 1
   ATOM 910 CD B LYS A 31 ? 23.22540 28.17420 53.51352 0.376 35.28320 C ? A ? 30 CD 1
   ATOM 911 CE B LYS A 31 ? 23.50578 28.83216 52.15242 0.376 36.41595 C ? A ? 30 CE 1
   ATOM 912 NZ B LYS A 31 ? 23.85079 30.28403 52.36105 0.376 42.63713 N ? A ? 30 NZ 1
   ATOM 913 H B LYS A 31 ? 21.33590 24.39509 54.16053 0.349 21.83188 H ? A ? 30 H 1
   ATOM 914 HB2 B LYS A 31 ? 22.37937 26.17128 55.20490 0.376 26.80042 H ? A ? 30 HB2 1
   ATOM 915 HB3 B LYS A 31 ? 23.96458 26.27105 55.15420 0.376 26.80042 H ? A ? 30 HB3 1
   ATOM 916 HG2 B LYS A 31 ? 23.79659 26.37606 52.75429 0.376 26.92727 H ? A ? 30 HG2 1
   ATOM 917 HG3 B LYS A 31 ? 22.22219 26.50497 52.92764 0.376 26.92727 H ? A ? 30 HG3 1
   ATOM 918 HD2 B LYS A 31 ? 22.40361 28.54139 53.87508 0.376 42.37100 H ? A ? 30 HD2 1
   ATOM 919 HD3 B LYS A 31 ? 23.96514 28.36471 54.11135 0.376 42.37100 H ? A ? 30 HD3 1
   ATOM 920 HE2 B LYS A 31 ? 24.25397 28.39048 51.72110 0.376 43.73030 H ? A ? 30 HE2 1
   ATOM 921 HE3 B LYS A 31 ? 22.71746 28.77441 51.59018 0.376 43.73030 H ? A ? 30 HE3 1
   ATOM 922 HZ1 B LYS A 31 ? 24.22267 30.61743 51.62441 0.376 51.19571 H ? A ? 30 HZ1 1
   ATOM 923 HZ2 B LYS A 31 ? 23.11473 30.74793 52.54840 0.376 51.19571 H ? A ? 30 HZ2 1
   ATOM 924 HZ3 B LYS A 31 ? 24.42407 30.36661 53.03680 0.376 51.19571 H ? A ? 30 HZ3 1
   ATOM 925 H C LYS A 31 ? 21.34133 24.41682 54.11757 0.213 21.83188 H ? A ? 30 H 1
   ATOM 926 N . GLY A 32 ? 22.82902 23.03739 56.48675 1.000 18.01202 N ? A ? 31 N 1
   ATOM 927 CA . GLY A 32 ? 23.18209 22.48416 57.80610 1.000 18.70636 C ? A ? 31 CA 1
   ATOM 928 C . GLY A 32 ? 22.83038 23.35657 58.98413 1.000 18.22301 C ? A ? 31 C 1
   ATOM 929 O . GLY A 32 ? 23.02009 22.88273 60.16667 1.000 17.95621 O ? A ? 31 O 1
   ATOM 930 H . GLY A 32 ? 22.05719 22.80981 56.18330 1.000 21.64558 H ? A ? 31 H 1
   ATOM 931 HA2 . GLY A 32 ? 22.72229 21.63759 57.91930 1.000 22.47879 H ? A ? 31 HA2 1
   ATOM 932 HA3 . GLY A 32 ? 24.13935 22.32929 57.83013 1.000 22.47879 H ? A ? 31 HA3 1
   ATOM 933 N . GLN A 33 ? 22.29096 24.53076 58.81089 1.000 17.27472 N ? A ? 32 N 1
   ATOM 934 CA . GLN A 33 ? 21.97448 25.40162 59.85628 1.000 15.66439 C ? A ? 32 CA 1
   ATOM 935 C . GLN A 33 ? 20.64276 25.05037 60.55807 1.000 15.95299 C ? A ? 32 C 1
   ATOM 936 O . GLN A 33 ? 20.44050 25.45916 61.70412 1.000 17.50505 O ? A ? 32 O 1
   ATOM 937 CB . GLN A 33 ? 21.84668 26.82937 59.31776 1.000 18.37868 C ? A ? 32 CB 1
   ATOM 938 CG . GLN A 33 ? 23.15378 27.31287 58.79668 1.000 27.50135 C ? A ? 32 CG 1
   ATOM 939 CD . GLN A 33 ? 23.14674 28.52776 57.93929 1.000 38.82046 C ? A ? 32 CD 1
   ATOM 940 OE1 . GLN A 33 ? 22.12580 29.11368 57.69401 1.000 41.09807 O ? A ? 32 OE1 1
   ATOM 941 NE2 . GLN A 33 ? 24.30602 28.86438 57.41711 1.000 54.39643 N ? A ? 32 NE2 1
   ATOM 942 H . GLN A 33 ? 22.09136 24.85295 58.03891 1.000 20.76082 H ? A ? 32 H 1
   ATOM 943 HA . GLN A 33 ? 22.69224 25.35717 60.50723 1.000 18.82843 H ? A ? 32 HA 1
   ATOM 944 HB2 . GLN A 33 ? 21.20032 26.84595 58.59468 1.000 22.08557 H ? A ? 32 HB2 1
   ATOM 945 HB3 . GLN A 33 ? 21.56082 27.42031 60.03189 1.000 22.08557 H ? A ? 32 HB3 1
   ATOM 946 HG2 . GLN A 33 ? 23.72197 27.51145 59.55735 1.000 33.03278 H ? A ? 32 HG2 1
   ATOM 947 HG3 . GLN A 33 ? 23.54487 26.60016 58.26754 1.000 33.03278 H ? A ? 32 HG3 1
   ATOM 948 HE21 . GLN A 33 ? 25.00503 28.39085 57.58065 1.000 65.30687 H ? A ? 32 HE21 1
   ATOM 949 HE22 . GLN A 33 ? 24.36501 29.55802 56.91215 1.000 65.30687 H ? A ? 32 HE22 1
   ATOM 950 N A ALA A 34 ? 19.76545 24.31388 59.92683 0.336 16.80112 N ? A ? 33 N 1
   ATOM 951 CA A ALA A 34 ? 18.56357 23.80287 60.56186 0.336 14.49449 C ? A ? 33 CA 1
   ATOM 952 C A ALA A 34 ? 18.65425 22.30631 60.55142 0.336 14.13105 C ? A ? 33 C 1
   ATOM 953 O A ALA A 34 ? 19.32661 21.75774 59.66266 0.336 16.61246 O ? A ? 33 O 1
   ATOM 954 CB A ALA A 34 ? 17.34642 24.21298 59.73913 0.336 16.89488 C ? A ? 33 CB 1
   ATOM 955 H A ALA A 34 ? 19.83935 24.08421 59.10137 0.336 20.19250 H ? A ? 33 H 1
   ATOM 956 HA A ALA A 34 ? 18.46149 24.13116 61.46889 0.336 17.42454 H ? A ? 33 HA 1
   ATOM 957 HB1 A ALA A 34 ? 16.54873 23.84476 60.15023 0.336 20.30501 H ? A ? 33 HB1 1
   ATOM 958 HB2 A ALA A 34 ? 17.29099 25.18117 59.71828 0.336 20.30501 H ? A ? 33 HB2 1
   ATOM 959 HB3 A ALA A 34 ? 17.44355 23.86773 58.83787 0.336 20.30501 H ? A ? 33 HB3 1
   ATOM 960 N B ALA A 34 ? 19.75494 24.30583 59.96211 0.347 16.70711 N ? A ? 33 N 1
   ATOM 961 CA B ALA A 34 ? 18.57982 23.74877 60.62922 0.347 14.25436 C ? A ? 33 CA 1
   ATOM 962 C B ALA A 34 ? 18.68075 22.24858 60.42528 0.347 15.06490 C ? A ? 33 C 1
   ATOM 963 O B ALA A 34 ? 19.39689 21.80545 59.52038 0.347 16.47227 O ? A ? 33 O 1
   ATOM 964 CB B ALA A 34 ? 17.34059 24.36122 59.96921 0.347 16.81308 C ? A ? 33 CB 1
   ATOM 965 H B ALA A 34 ? 19.80113 24.09080 59.13071 0.347 20.07969 H ? A ? 33 H 1
   ATOM 966 HA B ALA A 34 ? 18.50796 23.92656 61.58008 0.347 17.13639 H ? A ? 33 HA 1
   ATOM 967 HB1 B ALA A 34 ? 16.54602 23.98805 60.38188 0.347 20.20685 H ? A ? 33 HB1 1
   ATOM 968 HB2 B ALA A 34 ? 17.35829 25.32282 60.09534 0.347 20.20685 H ? A ? 33 HB2 1
   ATOM 969 HB3 B ALA A 34 ? 17.35100 24.15158 59.02219 0.347 20.20685 H ? A ? 33 HB3 1
   ATOM 970 N C ALA A 34 ? 19.82248 24.21683 59.93197 0.317 16.90347 N ? A ? 33 N 1
   ATOM 971 CA C ALA A 34 ? 18.62831 23.57119 60.47271 0.317 14.55952 C ? A ? 33 CA 1
   ATOM 972 C C ALA A 34 ? 18.71494 22.05144 60.30143 0.317 15.35726 C ? A ? 33 C 1
   ATOM 973 O C ALA A 34 ? 19.35353 21.53288 59.35008 0.317 15.86134 O ? A ? 33 O 1
   ATOM 974 CB C ALA A 34 ? 17.36076 24.13325 59.80768 0.317 16.89563 C ? A ? 33 CB 1
   ATOM 975 H C ALA A 34 ? 19.94593 23.98520 59.11300 0.317 20.31532 H ? A ? 33 H 1
   ATOM 976 HA C ALA A 34 ? 18.55494 23.74161 61.42480 0.317 17.50258 H ? A ? 33 HA 1
   ATOM 977 HB1 C ALA A 34 ? 16.58270 23.70801 60.20101 0.317 20.30591 H ? A ? 33 HB1 1
   ATOM 978 HB2 C ALA A 34 ? 17.32457 25.09116 59.95598 0.317 20.30591 H ? A ? 33 HB2 1
   ATOM 979 HB3 C ALA A 34 ? 17.39409 23.94684 58.85635 0.317 20.30591 H ? A ? 33 HB3 1
   ATOM 980 N A PRO A 35 ? 18.06868 21.60305 61.52554 0.336 15.98484 N ? A ? 34 N 1
   ATOM 981 CA A PRO A 35 ? 18.16468 20.14950 61.49226 0.336 14.74484 C ? A ? 34 CA 1
   ATOM 982 C A PRO A 35 ? 17.50481 19.60453 60.23115 0.336 14.21850 C ? A ? 34 C 1
   ATOM 983 O A PRO A 35 ? 16.57331 20.21233 59.64513 0.336 15.47009 O ? A ? 34 O 1
   ATOM 984 CB A PRO A 35 ? 17.43101 19.71975 62.78746 0.336 13.96840 C ? A ? 34 CB 1
   ATOM 985 CG A PRO A 35 ? 16.48950 20.78778 63.03328 0.336 15.78156 C ? A ? 34 CG 1
   ATOM 986 CD A PRO A 35 ? 17.15856 22.05092 62.60128 0.336 14.94841 C ? A ? 34 CD 1
   ATOM 987 HA A PRO A 35 ? 19.08284 19.83981 61.53657 0.336 17.72496 H ? A ? 34 HA 1
   ATOM 988 HB2 A PRO A 35 ? 16.97398 18.87574 62.64720 0.336 16.79324 H ? A ? 34 HB2 1
   ATOM 989 HB3 A PRO A 35 ? 18.06443 19.63673 63.51739 0.336 16.79324 H ? A ? 34 HB3 1
   ATOM 990 HG2 A PRO A 35 ? 15.68309 20.63484 62.51634 0.336 18.96903 H ? A ? 34 HG2 1
   ATOM 991 HG3 A PRO A 35 ? 16.27607 20.82096 63.97893 0.336 18.96903 H ? A ? 34 HG3 1
   ATOM 992 HD2 A PRO A 35 ? 16.50942 22.68676 62.26183 0.336 17.96924 H ? A ? 34 HD2 1
   ATOM 993 HD3 A PRO A 35 ? 17.65752 22.44522 63.33372 0.336 17.96924 H ? A ? 34 HD3 1
   ATOM 994 N B PRO A 35 ? 18.06969 21.41719 61.28032 0.347 16.17281 N ? A ? 34 N 1
   ATOM 995 CA B PRO A 35 ? 18.21401 19.95970 61.15980 0.347 15.27069 C ? A ? 34 CA 1
   ATOM 996 C B PRO A 35 ? 17.59399 19.39952 59.88626 0.347 14.66251 C ? A ? 34 C 1
   ATOM 997 O B PRO A 35 ? 16.61565 19.93522 59.33051 0.347 15.59755 O ? A ? 34 O 1
   ATOM 998 CB B PRO A 35 ? 17.46769 19.42700 62.40583 0.347 17.35396 C ? A ? 34 CB 1
   ATOM 999 CG B PRO A 35 ? 17.00796 20.56732 63.14030 0.347 18.01528 C ? A ? 34 CG 1
   ATOM 1000 CD B PRO A 35 ? 17.25743 21.82493 62.41910 0.347 15.79793 C ? A ? 34 CD 1
   ATOM 1001 HA B PRO A 35 ? 19.15382 19.72115 61.18716 0.347 18.35599 H ? A ? 34 HA 1
   ATOM 1002 HB2 B PRO A 35 ? 16.71784 18.88079 62.12249 0.347 20.85591 H ? A ? 34 HB2 1
   ATOM 1003 HB3 B PRO A 35 ? 18.07756 18.89932 62.94483 0.347 20.85591 H ? A ? 34 HB3 1
   ATOM 1004 HG2 B PRO A 35 ? 16.05464 20.46632 63.28821 0.347 21.64949 H ? A ? 34 HG2 1
   ATOM 1005 HG3 B PRO A 35 ? 17.47529 20.58701 63.99007 0.347 21.64949 H ? A ? 34 HG3 1
   ATOM 1006 HD2 B PRO A 35 ? 16.42359 22.22134 62.12165 0.347 18.98867 H ? A ? 34 HD2 1
   ATOM 1007 HD3 B PRO A 35 ? 17.74152 22.45169 62.97921 0.347 18.98867 H ? A ? 34 HD3 1
   ATOM 1008 N C PRO A 35 ? 18.11621 21.27408 61.20635 0.317 14.15669 N ? A ? 34 N 1
   ATOM 1009 CA C PRO A 35 ? 18.25025 19.82180 61.13964 0.317 14.86800 C ? A ? 34 CA 1
   ATOM 1010 C C PRO A 35 ? 17.52681 19.21512 59.94596 0.317 15.72166 C ? A ? 34 C 1
   ATOM 1011 O C PRO A 35 ? 16.49515 19.71121 59.46830 0.317 14.06305 O ? A ? 34 O 1
   ATOM 1012 CB C PRO A 35 ? 17.63099 19.35933 62.47234 0.317 17.84435 C ? A ? 34 CB 1
   ATOM 1013 CG C PRO A 35 ? 16.68127 20.47153 62.86536 0.317 16.79812 C ? A ? 34 CG 1
   ATOM 1014 CD C PRO A 35 ? 17.38051 21.70397 62.40385 0.317 15.21376 C ? A ? 34 CD 1
   ATOM 1015 HA C PRO A 35 ? 19.18537 19.56788 61.09523 0.317 17.87275 H ? A ? 34 HA 1
   ATOM 1016 HB2 C PRO A 35 ? 17.15436 18.52439 62.34352 0.317 21.44437 H ? A ? 34 HB2 1
   ATOM 1017 HB3 C PRO A 35 ? 18.32687 19.24476 63.13832 0.317 21.44437 H ? A ? 34 HB3 1
   ATOM 1018 HG2 C PRO A 35 ? 15.82876 20.36099 62.41602 0.317 20.18890 H ? A ? 34 HG2 1
   ATOM 1019 HG3 C PRO A 35 ? 16.55110 20.47936 63.82656 0.317 20.18890 H ? A ? 34 HG3 1
   ATOM 1020 HD2 C PRO A 35 ? 16.73979 22.39724 62.18081 0.317 18.28767 H ? A ? 34 HD2 1
   ATOM 1021 HD3 C PRO A 35 ? 17.99284 22.02466 63.08438 0.317 18.28767 H ? A ? 34 HD3 1
   ATOM 1022 N A TYR A 36 ? 17.90737 18.38029 59.87725 0.336 15.92400 N ? A ? 35 N 1
   ATOM 1023 CA A TYR A 36 ? 17.44681 17.59764 58.73994 0.336 14.98555 C ? A ? 35 CA 1
   ATOM 1024 C A TYR A 36 ? 16.55295 16.43993 59.16992 0.336 17.80355 C ? A ? 35 C 1
   ATOM 1025 O A TYR A 36 ? 17.01848 15.48609 59.83144 0.336 16.23612 O ? A ? 35 O 1
   ATOM 1026 CB A TYR A 36 ? 18.61961 17.06259 57.90089 0.336 14.17461 C ? A ? 35 CB 1
   ATOM 1027 CG A TYR A 36 ? 18.12589 16.15112 56.75573 0.336 14.28715 C ? A ? 35 CG 1
   ATOM 1028 CD1 A TYR A 36 ? 17.18528 16.62604 55.83209 0.336 18.37516 C ? A ? 35 CD1 1
   ATOM 1029 CD2 A TYR A 36 ? 18.59932 14.84506 56.58646 0.336 19.76549 C ? A ? 35 CD2 1
   ATOM 1030 CE1 A TYR A 36 ? 16.74847 15.84774 54.80400 0.336 15.23534 C ? A ? 35 CE1 1
   ATOM 1031 CE2 A TYR A 36 ? 18.11736 14.05617 55.60602 0.336 14.44873 C ? A ? 35 CE2 1
   ATOM 1032 CZ A TYR A 36 ? 17.22437 14.55699 54.69039 0.336 16.49412 C ? A ? 35 CZ 1
   ATOM 1033 OH A TYR A 36 ? 16.77514 13.68979 53.69602 0.336 17.46399 O ? A ? 35 OH 1
   ATOM 1034 H A TYR A 36 ? 18.50080 17.94764 60.32474 0.336 19.13995 H ? A ? 35 H 1
   ATOM 1035 HA A TYR A 36 ? 16.90843 18.19389 58.19631 0.336 18.01382 H ? A ? 35 HA 1
   ATOM 1036 HB2 A TYR A 36 ? 19.10197 17.80866 57.51153 0.336 17.04069 H ? A ? 35 HB2 1
   ATOM 1037 HB3 A TYR A 36 ? 19.21125 16.54560 58.46973 0.336 17.04069 H ? A ? 35 HB3 1
   ATOM 1038 HD1 A TYR A 36 ? 16.85287 17.48982 55.92313 0.336 22.08135 H ? A ? 35 HD1 1
   ATOM 1039 HD2 A TYR A 36 ? 19.25537 14.51719 57.15830 0.336 23.74975 H ? A ? 35 HD2 1
   ATOM 1040 HE1 A TYR A 36 ? 16.13788 16.18110 54.18679 0.336 18.31356 H ? A ? 35 HE1 1
   ATOM 1041 HE2 A TYR A 36 ? 18.39048 13.16900 55.54910 0.336 17.36963 H ? A ? 35 HE2 1
   ATOM 1042 HH A TYR A 36 ? 16.32076 14.11251 53.12994 0.336 20.98795 H ? A ? 35 HH 1
   ATOM 1043 N B TYR A 36 ? 18.09757 18.23252 59.45833 0.347 17.38469 N ? A ? 35 N 1
   ATOM 1044 CA B TYR A 36 ? 17.49465 17.44103 58.39237 0.347 17.16255 C ? A ? 35 CA 1
   ATOM 1045 C B TYR A 36 ? 16.60047 16.34797 58.95423 0.347 16.59639 C ? A ? 35 C 1
   ATOM 1046 O B TYR A 36 ? 17.09759 15.40757 59.60321 0.347 16.80378 O ? A ? 35 O 1
   ATOM 1047 CB B TYR A 36 ? 18.56250 16.84329 57.47408 0.347 16.77645 C ? A ? 35 CB 1
   ATOM 1048 CG B TYR A 36 ? 18.01782 15.92993 56.40992 0.347 16.61148 C ? A ? 35 CG 1
   ATOM 1049 CD1 B TYR A 36 ? 17.00951 16.38067 55.56590 0.347 16.74761 C ? A ? 35 CD1 1
   ATOM 1050 CD2 B TYR A 36 ? 18.49221 14.61545 56.23944 0.347 16.04780 C ? A ? 35 CD2 1
   ATOM 1051 CE1 B TYR A 36 ? 16.47378 15.57399 54.54433 0.347 17.86486 C ? A ? 35 CE1 1
   ATOM 1052 CE2 B TYR A 36 ? 17.97481 13.78975 55.26258 0.347 15.86122 C ? A ? 35 CE2 1
   ATOM 1053 CZ B TYR A 36 ? 16.96578 14.24252 54.37880 0.347 15.94251 C ? A ? 35 CZ 1
   ATOM 1054 OH B TYR A 36 ? 16.47784 13.32237 53.46968 0.347 15.97230 O ? A ? 35 OH 1
   ATOM 1055 H B TYR A 36 ? 18.80841 17.87422 59.78380 0.347 20.89279 H ? A ? 35 H 1
   ATOM 1056 HA B TYR A 36 ? 16.92680 18.03908 57.88170 0.347 20.62622 H ? A ? 35 HA 1
   ATOM 1057 HB2 B TYR A 36 ? 19.03013 17.56749 57.02939 0.347 20.16290 H ? A ? 35 HB2 1
   ATOM 1058 HB3 B TYR A 36 ? 19.18345 16.32930 58.01365 0.347 20.16290 H ? A ? 35 HB3 1
   ATOM 1059 HD1 B TYR A 36 ? 16.67846 17.24227 55.67974 0.347 20.12829 H ? A ? 35 HD1 1
   ATOM 1060 HD2 B TYR A 36 ? 19.16668 14.29784 56.79542 0.347 19.28851 H ? A ? 35 HD2 1
   ATOM 1061 HE1 B TYR A 36 ? 15.80826 15.90323 53.98435 0.347 21.46899 H ? A ? 35 HE1 1
   ATOM 1062 HE2 B TYR A 36 ? 18.29468 12.92009 55.18329 0.347 19.06462 H ? A ? 35 HE2 1
   ATOM 1063 HH B TYR A 36 ? 15.71839 13.05587 53.71014 0.347 19.19792 H ? A ? 35 HH 1
   ATOM 1064 N C TYR A 36 ? 18.01302 18.07016 59.49734 0.317 16.79061 N ? A ? 35 N 1
   ATOM 1065 CA C TYR A 36 ? 17.47723 17.37266 58.34824 0.317 16.92573 C ? A ? 35 CA 1
   ATOM 1066 C C TYR A 36 ? 16.58193 16.24988 58.81234 0.317 15.34283 C ? A ? 35 C 1
   ATOM 1067 O C TYR A 36 ? 17.05792 15.18485 59.24822 0.317 17.07385 O ? A ? 35 O 1
   ATOM 1068 CB C TYR A 36 ? 18.61248 16.85382 57.48856 0.317 17.01973 C ? A ? 35 CB 1
   ATOM 1069 CG C TYR A 36 ? 18.16106 16.03865 56.33047 0.317 15.83057 C ? A ? 35 CG 1
   ATOM 1070 CD1 C TYR A 36 ? 17.08171 16.46170 55.58431 0.317 17.26897 C ? A ? 35 CD1 1
   ATOM 1071 CD2 C TYR A 36 ? 18.76971 14.83129 55.99507 0.317 14.77523 C ? A ? 35 CD2 1
   ATOM 1072 CE1 C TYR A 36 ? 16.63930 15.75374 54.50597 0.317 16.57156 C ? A ? 35 CE1 1
   ATOM 1073 CE2 C TYR A 36 ? 18.31678 14.10093 54.94478 0.317 18.01085 C ? A ? 35 CE2 1
   ATOM 1074 CZ C TYR A 36 ? 17.22384 14.53714 54.21063 0.317 17.45021 C ? A ? 35 CZ 1
   ATOM 1075 OH C TYR A 36 ? 16.79600 13.81858 53.11524 0.317 16.81196 O ? A ? 35 OH 1
   ATOM 1076 H C TYR A 36 ? 18.67956 17.66362 59.85797 0.317 20.17989 H ? A ? 35 H 1
   ATOM 1077 HA C TYR A 36 ? 16.92908 17.98539 57.83347 0.317 20.34203 H ? A ? 35 HA 1
   ATOM 1078 HB2 C TYR A 36 ? 19.11207 17.60963 57.14206 0.317 20.45483 H ? A ? 35 HB2 1
   ATOM 1079 HB3 C TYR A 36 ? 19.18905 16.29768 58.03552 0.317 20.45483 H ? A ? 35 HB3 1
   ATOM 1080 HD1 C TYR A 36 ? 16.64533 17.24788 55.82180 0.317 20.75392 H ? A ? 35 HD1 1
   ATOM 1081 HD2 C TYR A 36 ? 19.49146 14.52364 56.49441 0.317 17.76143 H ? A ? 35 HD2 1
   ATOM 1082 HE1 C TYR A 36 ? 15.95175 16.08617 53.97524 0.317 19.91702 H ? A ? 35 HE1 1
   ATOM 1083 HE2 C TYR A 36 ? 18.74066 13.30524 54.71650 0.317 21.64418 H ? A ? 35 HE2 1
   ATOM 1084 HH C TYR A 36 ? 17.39991 13.29179 52.86347 0.317 20.20551 H ? A ? 35 HH 1
   ATOM 1085 N . ASP A 37 ? 15.28856 16.51605 58.76428 1.000 17.07734 N ? A ? 36 N 1
   ATOM 1086 CA . ASP A 37 ? 14.26615 15.52681 59.01645 1.000 17.40505 C ? A ? 36 CA 1
   ATOM 1087 C . ASP A 37 ? 13.79858 15.02230 57.66056 1.000 17.28338 C ? A ? 36 C 1
   ATOM 1088 O . ASP A 37 ? 13.14471 15.75480 56.87804 1.000 16.89496 O ? A ? 36 O 1
   ATOM 1089 HA . ASP A 37 ? 14.58476 14.74552 59.49497 1.000 20.91722 H ? A ? 36 HA 1
   ATOM 1090 CB A ASP A 37 ? 13.18039 16.17323 59.87576 0.614 19.81368 C ? A ? 36 CB 1
   ATOM 1091 CG A ASP A 37 ? 11.90624 15.34629 60.05933 0.614 21.47282 C ? A ? 36 CG 1
   ATOM 1092 OD1 A ASP A 37 ? 11.49593 14.55557 59.25206 0.614 19.67738 O ? A ? 36 OD1 1
   ATOM 1093 OD2 A ASP A 37 ? 11.17678 15.65519 61.03749 0.614 24.94825 O ? A ? 36 OD2 1
   ATOM 1094 H A ASP A 37 ? 14.98577 17.18070 58.31024 0.336 20.52397 H ? A ? 36 H 1
   ATOM 1095 HB2 A ASP A 37 ? 13.54701 16.33753 60.75865 0.614 23.80757 H ? A ? 36 HB2 1
   ATOM 1096 HB3 A ASP A 37 ? 12.92253 17.01194 59.46227 0.614 23.80757 H ? A ? 36 HB3 1
   ATOM 1097 CB B ASP A 37 ? 13.12163 16.04588 59.84926 0.386 19.60651 C ? A ? 36 CB 1
   ATOM 1098 CG B ASP A 37 ? 12.17984 14.95725 60.24229 0.386 21.77805 C ? A ? 36 CG 1
   ATOM 1099 OD1 B ASP A 37 ? 11.60454 14.33921 59.34600 0.386 22.70576 O ? A ? 36 OD1 1
   ATOM 1100 OD2 B ASP A 37 ? 11.95299 14.74215 61.45852 0.386 29.48986 O ? A ? 36 OD2 1
   ATOM 1101 H B ASP A 37 ? 14.95387 17.25100 58.46859 0.347 20.52397 H ? A ? 36 H 1
   ATOM 1102 HB2 B ASP A 37 ? 13.47288 16.44995 60.65812 0.386 23.55896 H ? A ? 36 HB2 1
   ATOM 1103 HB3 B ASP A 37 ? 12.62713 16.70468 59.33705 0.386 23.55896 H ? A ? 36 HB3 1
   ATOM 1104 H C ASP A 37 ? 14.96956 17.29323 58.58034 0.317 20.52397 H ? A ? 36 H 1
   ATOM 1105 N . ALA A 38 ? 14.16427 13.81950 57.27928 1.000 17.21308 N ? A ? 37 N 1
   ATOM 1106 CA . ALA A 38 ? 13.93430 13.31698 55.95828 1.000 15.31220 C ? A ? 37 CA 1
   ATOM 1107 C . ALA A 38 ? 12.46130 13.31837 55.61490 1.000 16.16961 C ? A ? 37 C 1
   ATOM 1108 O . ALA A 38 ? 12.10969 13.66302 54.48180 1.000 17.45107 O ? A ? 37 O 1
   ATOM 1109 CB . ALA A 38 ? 14.53297 11.90769 55.77936 1.000 18.41819 C ? A ? 37 CB 1
   ATOM 1110 H . ALA A 38 ? 14.56341 13.25435 57.79006 1.000 20.68685 H ? A ? 37 H 1
   ATOM 1111 HA . ALA A 38 ? 14.39311 13.90236 55.33560 1.000 18.40580 H ? A ? 37 HA 1
   ATOM 1112 HB1 . ALA A 38 ? 14.34875 11.59834 54.87865 1.000 22.13299 H ? A ? 37 HB1 1
   ATOM 1113 HB2 . ALA A 38 ? 15.49103 11.95075 55.92485 1.000 22.13299 H ? A ? 37 HB2 1
   ATOM 1114 HB3 . ALA A 38 ? 14.12704 11.30788 56.42461 1.000 22.13299 H ? A ? 37 HB3 1
   ATOM 1115 N A ALA A 39 ? 11.60264 12.93927 56.52673 0.640 16.26146 N ? A ? 38 N 1
   ATOM 1116 CA A ALA A 39 ? 10.15749 12.93161 56.27212 0.640 16.21008 C ? A ? 38 CA 1
   ATOM 1117 C A ALA A 39 ? 9.62524 14.33408 56.04658 0.640 16.44117 C ? A ? 38 C 1
   ATOM 1118 O A ALA A 39 ? 8.83003 14.55653 55.12097 0.640 17.67998 O ? A ? 38 O 1
   ATOM 1119 CB A ALA A 39 ? 9.44819 12.27038 57.42801 0.640 19.51437 C ? A ? 38 CB 1
   ATOM 1120 H A ALA A 39 ? 11.81721 12.67544 57.31664 0.640 19.54491 H ? A ? 38 H 1
   ATOM 1121 HA A ALA A 39 ? 9.97930 12.41871 55.46832 0.640 19.48325 H ? A ? 38 HA 1
   ATOM 1122 HB1 A ALA A 39 ? 8.49334 12.27567 57.25732 0.640 23.44841 H ? A ? 38 HB1 1
   ATOM 1123 HB2 A ALA A 39 ? 9.76419 11.35712 57.51171 0.640 23.44841 H ? A ? 38 HB2 1
   ATOM 1124 HB3 A ALA A 39 ? 9.64165 12.76314 58.24082 0.640 23.44841 H ? A ? 38 HB3 1
   ATOM 1125 N B ALA A 39 ? 11.59343 12.98036 56.55314 0.360 16.56744 N ? A ? 38 N 1
   ATOM 1126 CA B ALA A 39 ? 10.16451 12.94566 56.24668 0.360 16.43751 C ? A ? 38 CA 1
   ATOM 1127 C B ALA A 39 ? 9.59092 14.34149 56.07783 0.360 16.29068 C ? A ? 38 C 1
   ATOM 1128 O B ALA A 39 ? 8.69139 14.55666 55.26131 0.360 18.21575 O ? A ? 38 O 1
   ATOM 1129 CB B ALA A 39 ? 9.41513 12.19628 57.32569 0.360 18.93191 C ? A ? 38 CB 1
   ATOM 1130 H B ALA A 39 ? 11.79580 12.76953 57.36196 0.360 19.91208 H ? A ? 38 H 1
   ATOM 1131 HA B ALA A 39 ? 10.04571 12.47088 55.40920 0.360 19.75617 H ? A ? 38 HA 1
   ATOM 1132 HB1 B ALA A 39 ? 8.46973 12.19186 57.10869 0.360 22.74945 H ? A ? 38 HB1 1
   ATOM 1133 HB2 B ALA A 39 ? 9.74897 11.28654 57.36836 0.360 22.74945 H ? A ? 38 HB2 1
   ATOM 1134 HB3 B ALA A 39 ? 9.55728 12.64101 58.17593 0.360 22.74945 H ? A ? 38 HB3 1
   ATOM 1135 N . GLN A 40 ? 10.07668 15.31365 56.84675 1.000 15.68280 N ? A ? 39 N 1
   ATOM 1136 CA . GLN A 40 ? 9.66751 16.72150 56.68568 1.000 16.30321 C ? A ? 39 CA 1
   ATOM 1137 C . GLN A 40 ? 10.00775 17.13135 55.26589 1.000 17.30045 C ? A ? 39 C 1
   ATOM 1138 O . GLN A 40 ? 9.19808 17.82173 54.53564 1.000 17.61300 O ? A ? 39 O 1
   ATOM 1139 CB . GLN A 40 ? 10.45409 17.57076 57.68733 1.000 18.01053 C ? A ? 39 CB 1
   ATOM 1140 CG . GLN A 40 ? 10.08592 19.08654 57.55633 1.000 20.12205 C ? A ? 39 CG 1
   ATOM 1141 CD . GLN A 40 ? 10.85127 19.98444 58.49092 1.000 22.12052 C ? A ? 39 CD 1
   ATOM 1142 OE1 . GLN A 40 ? 11.99527 19.61859 58.84236 1.000 23.22125 O ? A ? 39 OE1 1
   ATOM 1143 NE2 . GLN A 40 ? 10.32431 21.16413 58.91562 1.000 23.74219 N ? A ? 39 NE2 1
   ATOM 1144 HA . GLN A 40 ? 8.72115 16.84990 56.85545 1.000 19.59501 H ? A ? 39 HA 1
   ATOM 1145 HB2 . GLN A 40 ? 10.24480 17.28086 58.58902 1.000 21.64380 H ? A ? 39 HB2 1
   ATOM 1146 HB3 . GLN A 40 ? 11.40395 17.46989 57.51848 1.000 21.64380 H ? A ? 39 HB3 1
   ATOM 1147 HG2 . GLN A 40 ? 10.27417 19.37556 56.64972 1.000 24.17761 H ? A ? 39 HG2 1
   ATOM 1148 HG3 . GLN A 40 ? 9.14173 19.19559 57.75000 1.000 24.17761 H ? A ? 39 HG3 1
   ATOM 1149 HE21 . GLN A 40 ? 9.54304 21.40647 58.65011 1.000 28.52179 H ? A ? 39 HE21 1
   ATOM 1150 HE22 . GLN A 40 ? 10.77237 21.66775 59.44966 1.000 28.52179 H ? A ? 39 HE22 1
   ATOM 1151 H A GLN A 40 ? 10.62584 15.19049 57.49702 0.640 18.85052 H ? A ? 39 H 1
   ATOM 1152 H B GLN A 40 ? 10.64960 15.19196 57.47647 0.360 18.85052 H ? A ? 39 H 1
   ATOM 1153 N . ILE A 41 ? 11.24456 16.90197 54.82502 1.000 16.63275 N ? A ? 40 N 1
   ATOM 1154 CA . ILE A 41 ? 11.66220 17.37428 53.52366 1.000 17.27087 C ? A ? 40 CA 1
   ATOM 1155 C . ILE A 41 ? 10.97499 16.65130 52.42284 1.000 15.98540 C ? A ? 40 C 1
   ATOM 1156 O . ILE A 41 ? 10.57209 17.28536 51.39620 1.000 17.27282 O ? A ? 40 O 1
   ATOM 1157 CB . ILE A 41 ? 13.20602 17.26049 53.42205 1.000 15.56346 C ? A ? 40 CB 1
   ATOM 1158 CG1 . ILE A 41 ? 13.92079 18.29574 54.36096 1.000 16.73295 C ? A ? 40 CG1 1
   ATOM 1159 CG2 . ILE A 41 ? 13.68080 17.42600 51.99681 1.000 16.70492 C ? A ? 40 CG2 1
   ATOM 1160 CD1 . ILE A 41 ? 13.62046 19.73658 54.05417 1.000 19.38207 C ? A ? 40 CD1 1
   ATOM 1161 H . ILE A 41 ? 11.85146 16.47763 55.26230 1.000 19.99046 H ? A ? 40 H 1
   ATOM 1162 HA . ILE A 41 ? 11.40424 18.30506 53.43413 1.000 20.75620 H ? A ? 40 HA 1
   ATOM 1163 HB . ILE A 41 ? 13.44220 16.36795 53.71950 1.000 18.70731 H ? A ? 40 HB 1
   ATOM 1164 HG12 . ILE A 41 ? 13.64094 18.12750 55.27435 1.000 20.11070 H ? A ? 40 HG12 1
   ATOM 1165 HG13 . ILE A 41 ? 14.87972 18.17400 54.28002 1.000 20.11070 H ? A ? 40 HG13 1
   ATOM 1166 HG21 . ILE A 41 ? 14.64233 17.55387 51.99708 1.000 20.07705 H ? A ? 40 HG21 1
   ATOM 1167 HG22 . ILE A 41 ? 13.45330 16.62858 51.49355 1.000 20.07705 H ? A ? 40 HG22 1
   ATOM 1168 HG23 . ILE A 41 ? 13.24438 18.19930 51.60635 1.000 20.07705 H ? A ? 40 HG23 1
   ATOM 1169 HD11 . ILE A 41 ? 14.19768 20.30093 54.59198 1.000 23.28964 H ? A ? 40 HD11 1
   ATOM 1170 HD12 . ILE A 41 ? 13.78331 19.89942 53.11191 1.000 23.28964 H ? A ? 40 HD12 1
   ATOM 1171 HD13 . ILE A 41 ? 12.69114 19.91735 54.26531 1.000 23.28964 H ? A ? 40 HD13 1
   ATOM 1172 N . LYS A 42 ? 10.76359 15.34054 52.54079 1.000 17.02272 N ? A ? 41 N 1
   ATOM 1173 CA . LYS A 42 ? 10.00828 14.55776 51.57473 1.000 15.24129 C ? A ? 41 CA 1
   ATOM 1174 C . LYS A 42 ? 8.63582 15.21363 51.35330 1.000 15.68247 C ? A ? 41 C 1
   ATOM 1175 O . LYS A 42 ? 8.21047 15.37095 50.21639 1.000 16.74995 O ? A ? 41 O 1
   ATOM 1176 CB . LYS A 42 ? 9.90572 13.09666 52.03072 1.000 17.38213 C ? A ? 41 CB 1
   ATOM 1177 CG . LYS A 42 ? 9.27201 12.25807 51.00258 1.000 18.17396 C ? A ? 41 CG 1
   ATOM 1178 CD . LYS A 42 ? 9.16061 10.73892 51.39054 1.000 21.50868 C ? A ? 41 CD 1
   ATOM 1179 CE . LYS A 42 ? 8.34960 10.01047 50.25247 1.000 24.08654 C ? A ? 41 CE 1
   ATOM 1180 NZ . LYS A 42 ? 8.25414 8.51705 50.67319 1.000 28.57834 N ? A ? 41 NZ 1
   ATOM 1181 H . LYS A 42 ? 11.05836 14.86662 53.19508 1.000 20.45842 H ? A ? 41 H 1
   ATOM 1182 HA . LYS A 42 ? 10.46913 14.53052 50.72163 1.000 18.32071 H ? A ? 41 HA 1
   ATOM 1183 HB2 . LYS A 42 ? 10.79553 12.75073 52.20244 1.000 20.88972 H ? A ? 41 HB2 1
   ATOM 1184 HB3 . LYS A 42 ? 9.36982 13.04911 52.83784 1.000 20.88972 H ? A ? 41 HB3 1
   ATOM 1185 HG2 . LYS A 42 ? 8.37351 12.58698 50.84317 1.000 21.83990 H ? A ? 41 HG2 1
   ATOM 1186 HG3 . LYS A 42 ? 9.79567 12.31541 50.18810 1.000 21.83990 H ? A ? 41 HG3 1
   ATOM 1187 HD2 . LYS A 42 ? 10.04411 10.34413 51.45735 1.000 25.84158 H ? A ? 41 HD2 1
   ATOM 1188 HD3 . LYS A 42 ? 8.68914 10.64147 52.23263 1.000 25.84158 H ? A ? 41 HD3 1
   ATOM 1189 HE2 . LYS A 42 ? 7.45845 10.38573 50.17541 1.000 28.93501 H ? A ? 41 HE2 1
   ATOM 1190 HE3 . LYS A 42 ? 8.81410 10.08174 49.40391 1.000 28.93501 H ? A ? 41 HE3 1
   ATOM 1191 HZ1 . LYS A 42 ? 7.43097 8.21173 50.52732 1.000 34.32517 H ? A ? 41 HZ1 1
   ATOM 1192 HZ2 . LYS A 42 ? 8.83061 8.03035 50.20105 1.000 34.32517 H ? A ? 41 HZ2 1
   ATOM 1193 HZ3 . LYS A 42 ? 8.44476 8.43174 51.53834 1.000 34.32517 H ? A ? 41 HZ3 1
   ATOM 1194 N . ALA A 43 ? 7.94829 15.50054 52.42956 1.000 16.73360 N ? A ? 42 N 1
   ATOM 1195 CA . ALA A 43 ? 6.59418 16.08913 52.35493 1.000 17.11868 C ? A ? 42 CA 1
   ATOM 1196 C . ALA A 43 ? 6.66908 17.47090 51.69519 1.000 17.47336 C ? A ? 42 C 1
   ATOM 1197 O . ALA A 43 ? 5.79483 17.78947 50.85013 1.000 17.46548 O ? A ? 42 O 1
   ATOM 1198 CB . ALA A 43 ? 5.96444 16.12313 53.72156 1.000 18.18818 C ? A ? 42 CB 1
   ATOM 1199 H . ALA A 43 ? 8.22656 15.37115 53.23294 1.000 20.11148 H ? A ? 42 H 1
   ATOM 1200 HA . ALA A 43 ? 6.01003 15.53690 51.81206 1.000 20.57357 H ? A ? 42 HA 1
   ATOM 1201 HB1 . ALA A 43 ? 5.07283 16.49823 53.64918 1.000 21.85697 H ? A ? 42 HB1 1
   ATOM 1202 HB2 . ALA A 43 ? 5.91567 15.21895 54.06938 1.000 21.85697 H ? A ? 42 HB2 1
   ATOM 1203 HB3 . ALA A 43 ? 6.50841 16.67360 54.30634 1.000 21.85697 H ? A ? 42 HB3 1
   ATOM 1204 N A ASN A 44 ? 7.64452 18.27575 52.04645 0.747 16.07572 N ? A ? 43 N 1
   ATOM 1205 CA A ASN A 44 ? 7.78203 19.58210 51.49252 0.747 16.50568 C ? A ? 43 CA 1
   ATOM 1206 C A ASN A 44 ? 8.02987 19.51390 50.00577 0.747 15.77806 C ? A ? 43 C 1
   ATOM 1207 O A ASN A 44 ? 7.43887 20.25304 49.21315 0.747 15.17808 O ? A ? 43 O 1
   ATOM 1208 CB A ASN A 44 ? 8.83119 20.41773 52.12697 0.747 16.64841 C ? A ? 43 CB 1
   ATOM 1209 CG A ASN A 44 ? 8.80141 21.80673 51.63781 0.747 14.70684 C ? A ? 43 CG 1
   ATOM 1210 OD1 A ASN A 44 ? 7.71745 22.50343 51.86820 0.747 16.29670 O ? A ? 43 OD1 1
   ATOM 1211 ND2 A ASN A 44 ? 9.76048 22.20878 51.05109 0.747 16.18941 N ? A ? 43 ND2 1
   ATOM 1212 H A ASN A 44 ? 8.25384 18.07800 52.62022 0.747 19.32202 H ? A ? 43 H 1
   ATOM 1213 HA A ASN A 44 ? 6.94330 20.03037 51.68355 0.747 19.83798 H ? A ? 43 HA 1
   ATOM 1214 HB2 A ASN A 44 ? 8.69109 20.43131 53.08670 0.747 20.00925 H ? A ? 43 HB2 1
   ATOM 1215 HB3 A ASN A 44 ? 9.70287 20.04362 51.92420 0.747 20.00925 H ? A ? 43 HB3 1
   ATOM 1216 HD21 A ASN A 44 ? 9.77509 23.01513 50.75245 0.747 19.45845 H ? A ? 43 HD21 1
   ATOM 1217 HD22 A ASN A 44 ? 10.43663 21.69201 50.92715 0.747 19.45845 H ? A ? 43 HD22 1
   ATOM 1218 N B ASN A 44 ? 7.69726 18.30618 51.99118 0.253 15.85350 N ? A ? 43 N 1
   ATOM 1219 CA B ASN A 44 ? 7.82226 19.68396 51.44350 0.253 16.22366 C ? A ? 43 CA 1
   ATOM 1220 C B ASN A 44 ? 8.21157 19.68080 49.96584 0.253 14.92561 C ? A ? 43 C 1
   ATOM 1221 O B ASN A 44 ? 7.82256 20.59804 49.16656 0.253 12.99080 O ? A ? 43 O 1
   ATOM 1222 CB B ASN A 44 ? 8.85703 20.52495 52.20909 0.253 17.07134 C ? A ? 43 CB 1
   ATOM 1223 CG B ASN A 44 ? 9.07642 21.97257 51.55962 0.253 10.21209 C ? A ? 43 CG 1
   ATOM 1224 OD1 B ASN A 44 ? 8.29295 22.89364 51.85751 0.253 11.75501 O ? A ? 43 OD1 1
   ATOM 1225 ND2 B ASN A 44 ? 10.10101 22.17034 50.71127 0.253 16.88553 N ? A ? 43 ND2 1
   ATOM 1226 H B ASN A 44 ? 8.34653 18.09706 52.51493 0.253 19.05535 H ? A ? 43 H 1
   ATOM 1227 HA B ASN A 44 ? 6.95289 20.09904 51.55670 0.253 19.49954 H ? A ? 43 HA 1
   ATOM 1228 HB2 B ASN A 44 ? 8.55224 20.64807 53.12170 0.253 20.51676 H ? A ? 43 HB2 1
   ATOM 1229 HB3 B ASN A 44 ? 9.70879 20.06086 52.20354 0.253 20.51676 H ? A ? 43 HB3 1
   ATOM 1230 HD21 B ASN A 44 ? 10.22430 22.94521 50.35915 0.253 20.29380 H ? A ? 43 HD21 1
   ATOM 1231 HD22 B ASN A 44 ? 10.63293 21.52195 50.52087 0.253 20.29380 H ? A ? 43 HD22 1
   ATOM 1232 N . VAL A 45 ? 8.95031 18.64204 49.56038 1.000 16.07693 N ? A ? 44 N 1
   ATOM 1233 CA . VAL A 45 ? 9.30302 18.52129 48.17753 1.000 15.74240 C ? A ? 44 CA 1
   ATOM 1234 C . VAL A 45 ? 8.05317 18.02393 47.38719 1.000 15.40823 C ? A ? 44 C 1
   ATOM 1235 O . VAL A 45 ? 7.89619 18.43611 46.23885 1.000 16.84002 O ? A ? 44 O 1
   ATOM 1236 CB . VAL A 45 ? 10.60436 17.72234 48.00645 1.000 15.01018 C ? A ? 44 CB 1
   ATOM 1237 CG1 . VAL A 45 ? 10.83146 17.43098 46.55075 1.000 18.12779 C ? A ? 44 CG1 1
   ATOM 1238 CG2 . VAL A 45 ? 11.70687 18.47673 48.59502 1.000 16.80113 C ? A ? 44 CG2 1
   ATOM 1239 HA . VAL A 45 ? 9.53336 19.38012 47.78990 1.000 18.92203 H ? A ? 44 HA 1
   ATOM 1240 HB . VAL A 45 ? 10.55014 16.86891 48.46428 1.000 18.04338 H ? A ? 44 HB 1
   ATOM 1241 HG11 . VAL A 45 ? 11.70139 17.01542 46.44383 1.000 21.78450 H ? A ? 44 HG11 1
   ATOM 1242 HG12 . VAL A 45 ? 10.13726 16.83062 46.23681 1.000 21.78450 H ? A ? 44 HG12 1
   ATOM 1243 HG13 . VAL A 45 ? 10.79898 18.26309 46.05332 1.000 21.78450 H ? A ? 44 HG13 1
   ATOM 1244 HG21 . VAL A 45 ? 12.52860 17.97337 48.48420 1.000 20.19251 H ? A ? 44 HG21 1
   ATOM 1245 HG22 . VAL A 45 ? 11.77992 19.33262 48.14444 1.000 20.19251 H ? A ? 44 HG22 1
   ATOM 1246 HG23 . VAL A 45 ? 11.52760 18.61380 49.53841 1.000 20.19251 H ? A ? 44 HG23 1
   ATOM 1247 H A VAL A 45 ? 9.38636 18.10242 50.06858 0.747 19.32347 H ? A ? 44 H 1
   ATOM 1248 H B VAL A 45 ? 9.24611 18.01453 50.06864 0.253 19.32347 H ? A ? 44 H 1
   ATOM 1249 N . GLU A 46 ? 7.23725 17.22940 47.92332 1.000 15.52611 N ? A ? 45 N 1
   ATOM 1250 CA . GLU A 46 ? 6.04051 16.83113 47.27330 1.000 16.85713 C ? A ? 45 CA 1
   ATOM 1251 C . GLU A 46 ? 5.10339 18.06593 47.02425 1.000 18.59789 C ? A ? 45 C 1
   ATOM 1252 O . GLU A 46 ? 4.46836 18.17212 45.92390 1.000 18.97921 O ? A ? 45 O 1
   ATOM 1253 CB . GLU A 46 ? 5.26763 15.80863 48.04610 1.000 20.12962 C ? A ? 45 CB 1
   ATOM 1254 CG . GLU A 46 ? 5.74569 14.36234 47.93026 1.000 21.53536 C ? A ? 45 CG 1
   ATOM 1255 CD . GLU A 46 ? 5.43169 13.52874 49.18202 1.000 50.66281 C ? A ? 45 CD 1
   ATOM 1256 OE1 . GLU A 46 ? 4.78888 14.02295 50.14072 1.000 61.94668 O ? A ? 45 OE1 1
   ATOM 1257 OE2 . GLU A 46 ? 5.91179 12.36677 49.20232 1.000 34.82319 O ? A ? 45 OE2 1
   ATOM 1258 H . GLU A 46 ? 7.34159 16.87873 48.70162 1.000 18.66248 H ? A ? 45 H 1
   ATOM 1259 HA . GLU A 46 ? 6.30746 16.42165 46.43547 1.000 20.25971 H ? A ? 45 HA 1
   ATOM 1260 HB2 . GLU A 46 ? 5.30813 16.04717 48.98544 1.000 24.18670 H ? A ? 45 HB2 1
   ATOM 1261 HB3 . GLU A 46 ? 4.34818 15.82980 47.73777 1.000 24.18670 H ? A ? 45 HB3 1
   ATOM 1262 HG2 . GLU A 46 ? 5.30597 13.94399 47.17360 1.000 25.87359 H ? A ? 45 HG2 1
   ATOM 1263 HG3 . GLU A 46 ? 6.70689 14.35689 47.79998 1.000 25.87359 H ? A ? 45 HG3 1
   ATOM 1264 N A VAL A 47 ? 4.83871 18.84953 48.09301 0.582 15.17013 N ? A ? 46 N 1
   ATOM 1265 CA A VAL A 47 ? 4.07279 20.05381 47.85977 0.582 14.48879 C ? A ? 46 CA 1
   ATOM 1266 C A VAL A 47 ? 4.73745 20.85665 46.74016 0.582 14.32546 C ? A ? 46 C 1
   ATOM 1267 O A VAL A 47 ? 4.05032 21.32994 45.79896 0.582 13.98276 O ? A ? 46 O 1
   ATOM 1268 CB A VAL A 47 ? 3.93260 20.84874 49.14682 0.582 13.79314 C ? A ? 46 CB 1
   ATOM 1269 CG1 A VAL A 47 ? 3.35224 22.19476 48.81765 0.582 15.84777 C ? A ? 46 CG1 1
   ATOM 1270 CG2 A VAL A 47 ? 3.03585 20.13176 50.19159 0.582 15.70514 C ? A ? 46 CG2 1
   ATOM 1271 H A VAL A 47 ? 5.08297 18.70099 48.90410 0.582 18.23531 H ? A ? 46 H 1
   ATOM 1272 HA A VAL A 47 ? 3.17475 19.82498 47.57330 0.582 17.41770 H ? A ? 46 HA 1
   ATOM 1273 HB A VAL A 47 ? 4.81037 20.94217 49.54893 0.582 16.58293 H ? A ? 46 HB 1
   ATOM 1274 HG11 A VAL A 47 ? 2.98711 22.58747 49.62595 0.582 19.04848 H ? A ? 46 HG11 1
   ATOM 1275 HG12 A VAL A 47 ? 4.05352 22.76253 48.46164 0.582 19.04848 H ? A ? 46 HG12 1
   ATOM 1276 HG13 A VAL A 47 ? 2.65011 22.08312 48.15777 0.582 19.04848 H ? A ? 46 HG13 1
   ATOM 1277 HG21 A VAL A 47 ? 2.92618 20.70940 50.96309 0.582 18.87733 H ? A ? 46 HG21 1
   ATOM 1278 HG22 A VAL A 47 ? 2.17176 19.94620 49.79181 0.582 18.87733 H ? A ? 46 HG22 1
   ATOM 1279 HG23 A VAL A 47 ? 3.46231 19.30211 50.45751 0.582 18.87733 H ? A ? 46 HG23 1
   ATOM 1280 N B VAL A 47 ? 5.29860 19.16505 47.77609 0.418 15.22898 N ? A ? 46 N 1
   ATOM 1281 CA B VAL A 47 ? 4.57213 20.41264 47.53149 0.418 13.12898 C ? A ? 46 CA 1
   ATOM 1282 C B VAL A 47 ? 5.23882 21.23154 46.44379 0.418 16.01775 C ? A ? 46 C 1
   ATOM 1283 O B VAL A 47 ? 4.56068 21.79652 45.55873 0.418 12.12503 O ? A ? 46 O 1
   ATOM 1284 CB B VAL A 47 ? 4.45959 21.27600 48.81914 0.418 13.53210 C ? A ? 46 CB 1
   ATOM 1285 CG1 B VAL A 47 ? 3.90182 22.63820 48.53074 0.418 15.47049 C ? A ? 46 CG1 1
   ATOM 1286 CG2 B VAL A 47 ? 3.60047 20.56299 49.97675 0.418 12.52873 C ? A ? 46 CG2 1
   ATOM 1287 H B VAL A 47 ? 5.84932 19.20938 48.43514 0.418 18.30593 H ? A ? 46 H 1
   ATOM 1288 HA B VAL A 47 ? 3.68099 20.15515 47.24782 0.418 15.78593 H ? A ? 46 HA 1
   ATOM 1289 HB B VAL A 47 ? 5.36483 21.37859 49.15220 0.418 16.26967 H ? A ? 46 HB 1
   ATOM 1290 HG11 B VAL A 47 ? 3.57298 23.02617 49.35672 0.418 18.59574 H ? A ? 46 HG11 1
   ATOM 1291 HG12 B VAL A 47 ? 4.60432 23.19517 48.16035 0.418 18.59574 H ? A ? 46 HG12 1
   ATOM 1292 HG13 B VAL A 47 ? 3.17586 22.55366 47.89298 0.418 18.59574 H ? A ? 46 HG13 1
   ATOM 1293 HG21 B VAL A 47 ? 3.53448 21.16297 50.73607 0.418 15.06563 H ? A ? 46 HG21 1
   ATOM 1294 HG22 B VAL A 47 ? 2.71488 20.36312 49.63516 0.418 15.06563 H ? A ? 46 HG22 1
   ATOM 1295 HG23 B VAL A 47 ? 4.04596 19.74284 50.24096 0.418 15.06563 H ? A ? 46 HG23 1
   ATOM 1296 N A LEU A 48 ? 6.04176 21.01017 46.83383 0.582 13.60382 N ? A ? 47 N 1
   ATOM 1297 CA A LEU A 48 ? 6.78466 21.73605 45.79773 0.582 11.87870 C ? A ? 47 CA 1
   ATOM 1298 C A LEU A 48 ? 6.59261 21.13966 44.43140 0.582 14.28032 C ? A ? 47 C 1
   ATOM 1299 O A LEU A 48 ? 6.43272 21.83682 43.43297 0.582 14.57910 O ? A ? 47 O 1
   ATOM 1300 CB A LEU A 48 ? 8.25541 21.73456 46.17627 0.582 14.18911 C ? A ? 47 CB 1
   ATOM 1301 CG A LEU A 48 ? 9.21425 22.48523 45.23326 0.582 12.99918 C ? A ? 47 CG 1
   ATOM 1302 CD1 A LEU A 48 ? 8.77100 23.98030 44.97371 0.582 16.13954 C ? A ? 47 CD1 1
   ATOM 1303 CD2 A LEU A 48 ? 10.57616 22.41666 45.76870 0.582 17.22378 C ? A ? 47 CD2 1
   ATOM 1304 H A LEU A 48 ? 6.52727 20.71063 47.47738 0.582 16.35574 H ? A ? 47 H 1
   ATOM 1305 HA A LEU A 48 ? 6.45866 22.64848 45.75189 0.582 14.28560 H ? A ? 47 HA 1
   ATOM 1306 HB2 A LEU A 48 ? 8.33978 22.14374 47.05169 0.582 17.05809 H ? A ? 47 HB2 1
   ATOM 1307 HB3 A LEU A 48 ? 8.55488 20.81259 46.21075 0.582 17.05809 H ? A ? 47 HB3 1
   ATOM 1308 HG A LEU A 48 ? 9.19268 22.05437 44.36448 0.582 15.63017 H ? A ? 47 HG 1
   ATOM 1309 HD11 A LEU A 48 ? 9.44284 24.41875 44.42847 0.582 19.39861 H ? A ? 47 HD11 1
   ATOM 1310 HD12 A LEU A 48 ? 7.91803 23.98114 44.51182 0.582 19.39861 H ? A ? 47 HD12 1
   ATOM 1311 HD13 A LEU A 48 ? 8.68648 24.43700 45.82528 0.582 19.39861 H ? A ? 47 HD13 1
   ATOM 1312 HD21 A LEU A 48 ? 11.17017 22.91476 45.18565 0.582 20.69970 H ? A ? 47 HD21 1
   ATOM 1313 HD22 A LEU A 48 ? 10.58550 22.80287 46.65846 0.582 20.69970 H ? A ? 47 HD22 1
   ATOM 1314 HD23 A LEU A 48 ? 10.85355 21.48801 45.80827 0.582 20.69970 H ? A ? 47 HD23 1
   ATOM 1315 N B LEU A 48 ? 6.53065 21.44969 46.55789 0.418 11.73434 N ? A ? 47 N 1
   ATOM 1316 CA B LEU A 48 ? 7.22854 22.17921 45.51584 0.418 15.03355 C ? A ? 47 CA 1
   ATOM 1317 C B LEU A 48 ? 7.00184 21.53949 44.14071 0.418 15.26244 C ? A ? 47 C 1
   ATOM 1318 O B LEU A 48 ? 6.92683 22.28743 43.13395 0.418 13.35283 O ? A ? 47 O 1
   ATOM 1319 CB B LEU A 48 ? 8.69906 22.22578 45.91809 0.418 13.00115 C ? A ? 47 CB 1
   ATOM 1320 CG B LEU A 48 ? 9.55495 22.89086 44.83718 0.418 16.99737 C ? A ? 47 CG 1
   ATOM 1321 CD1 B LEU A 48 ? 9.22577 24.38661 44.70890 0.418 13.27928 C ? A ? 47 CD1 1
   ATOM 1322 CD2 B LEU A 48 ? 11.08793 22.83401 45.18328 0.418 15.10338 C ? A ? 47 CD2 1
   ATOM 1323 H B LEU A 48 ? 7.02181 21.19236 47.21527 0.418 14.11236 H ? A ? 47 H 1
   ATOM 1324 HA B LEU A 48 ? 6.90692 23.09027 45.42965 0.418 18.07142 H ? A ? 47 HA 1
   ATOM 1325 HB2 B LEU A 48 ? 8.79048 22.73572 46.73816 0.418 15.63254 H ? A ? 47 HB2 1
   ATOM 1326 HB3 B LEU A 48 ? 9.02297 21.32132 46.05198 0.418 15.63254 H ? A ? 47 HB3 1
   ATOM 1327 HG B LEU A 48 ? 9.36586 22.40976 44.01639 0.418 20.42800 H ? A ? 47 HG 1
   ATOM 1328 HD11 B LEU A 48 ? 9.83420 24.79023 44.07031 0.418 15.96629 H ? A ? 47 HD11 1
   ATOM 1329 HD12 B LEU A 48 ? 8.31104 24.48338 44.40098 0.418 15.96629 H ? A ? 47 HD12 1
   ATOM 1330 HD13 B LEU A 48 ? 9.32914 24.80824 45.57634 0.418 15.96629 H ? A ? 47 HD13 1
   ATOM 1331 HD21 B LEU A 48 ? 11.58701 23.27927 44.48074 0.418 18.15521 H ? A ? 47 HD21 1
   ATOM 1332 HD22 B LEU A 48 ? 11.23729 23.28247 46.03032 0.418 18.15521 H ? A ? 47 HD22 1
   ATOM 1333 HD23 B LEU A 48 ? 11.36303 21.90604 45.24728 0.418 18.15521 H ? A ? 47 HD23 1
   ATOM 1334 N A LYS A 49 ? 6.54046 19.80799 44.36723 0.582 16.04313 N ? A ? 48 N 1
   ATOM 1335 CA A LYS A 49 ? 6.36490 19.14278 43.10150 0.582 15.87564 C ? A ? 48 CA 1
   ATOM 1336 C A LYS A 49 ? 5.16452 19.72571 42.39941 0.582 14.34296 C ? A ? 48 C 1
   ATOM 1337 O A LYS A 49 ? 5.19401 20.06270 41.21946 0.582 15.86251 O ? A ? 48 O 1
   ATOM 1338 CB A LYS A 49 ? 6.21869 17.62512 43.37468 0.582 14.67791 C ? A ? 48 CB 1
   ATOM 1339 CG A LYS A 49 ? 5.96760 16.82346 42.08100 0.582 22.13691 C ? A ? 48 CG 1
   ATOM 1340 CD A LYS A 49 ? 5.91521 15.28759 42.42093 0.582 29.57876 C ? A ? 48 CD 1
   ATOM 1341 CE A LYS A 49 ? 5.29499 14.50993 41.23936 0.582 37.82743 C ? A ? 48 CE 1
   ATOM 1342 NZ A LYS A 49 ? 4.79481 13.12458 41.63684 0.582 28.63925 N ? A ? 48 NZ 1
   ATOM 1343 H A LYS A 49 ? 6.60478 19.28008 45.04308 0.582 19.28291 H ? A ? 48 H 1
   ATOM 1344 HA A LYS A 49 ? 7.12954 19.25980 42.51625 0.582 19.08192 H ? A ? 48 HA 1
   ATOM 1345 HB2 A LYS A 49 ? 7.03482 17.29518 43.78207 0.582 17.64464 H ? A ? 48 HB2 1
   ATOM 1346 HB3 A LYS A 49 ? 5.46789 17.48024 43.97152 0.582 17.64464 H ? A ? 48 HB3 1
   ATOM 1347 HG2 A LYS A 49 ? 5.12036 17.08724 41.68918 0.582 26.59545 H ? A ? 48 HG2 1
   ATOM 1348 HG3 A LYS A 49 ? 6.68794 16.98100 41.45077 0.582 26.59545 H ? A ? 48 HG3 1
   ATOM 1349 HD2 A LYS A 49 ? 6.81336 14.95549 42.57562 0.582 35.52567 H ? A ? 48 HD2 1
   ATOM 1350 HD3 A LYS A 49 ? 5.36841 15.14504 43.20934 0.582 35.52567 H ? A ? 48 HD3 1
   ATOM 1351 HE2 A LYS A 49 ? 4.54100 15.01180 40.89219 0.582 45.42408 H ? A ? 48 HE2 1
   ATOM 1352 HE3 A LYS A 49 ? 5.96602 14.39850 40.54784 0.582 45.42408 H ? A ? 48 HE3 1
   ATOM 1353 HZ1 A LYS A 49 ? 5.47997 12.56003 41.69968 0.582 34.39826 H ? A ? 48 HZ1 1
   ATOM 1354 HZ2 A LYS A 49 ? 4.38051 13.16467 42.42351 0.582 34.39826 H ? A ? 48 HZ2 1
   ATOM 1355 HZ3 A LYS A 49 ? 4.22456 12.81979 41.02528 0.582 34.39826 H ? A ? 48 HZ3 1
   ATOM 1356 N B LYS A 49 ? 6.97768 20.21134 44.02641 0.418 13.26521 N ? A ? 48 N 1
   ATOM 1357 CA B LYS A 49 ? 6.69896 19.52701 42.75623 0.418 11.90721 C ? A ? 48 CA 1
   ATOM 1358 C B LYS A 49 ? 5.26753 19.84209 42.25068 0.418 13.73196 C ? A ? 48 C 1
   ATOM 1359 O B LYS A 49 ? 5.15628 20.11092 41.05217 0.418 16.76198 O ? A ? 48 O 1
   ATOM 1360 CB B LYS A 49 ? 6.89257 18.01110 42.95940 0.418 16.05820 C ? A ? 48 CB 1
   ATOM 1361 CG B LYS A 49 ? 6.45406 17.08507 41.77300 0.418 23.06175 C ? A ? 48 CG 1
   ATOM 1362 CD B LYS A 49 ? 6.10637 15.57943 42.20847 0.418 34.29842 C ? A ? 48 CD 1
   ATOM 1363 CE B LYS A 49 ? 5.46661 14.84544 40.99263 0.418 37.27115 C ? A ? 48 CE 1
   ATOM 1364 NZ B LYS A 49 ? 6.46171 14.03395 40.30141 0.418 45.55676 N ? A ? 48 NZ 1
   ATOM 1365 H B LYS A 49 ? 7.12147 19.66969 44.67874 0.418 15.94941 H ? A ? 48 H 1
   ATOM 1366 HA B LYS A 49 ? 7.31871 19.83342 42.07584 0.418 14.31981 H ? A ? 48 HA 1
   ATOM 1367 HB2 B LYS A 49 ? 7.83564 17.84618 43.11534 0.418 19.30100 H ? A ? 48 HB2 1
   ATOM 1368 HB3 B LYS A 49 ? 6.37611 17.74288 43.73543 0.418 19.30100 H ? A ? 48 HB3 1
   ATOM 1369 HG2 B LYS A 49 ? 5.66098 17.46200 41.36087 0.418 27.70525 H ? A ? 48 HG2 1
   ATOM 1370 HG3 B LYS A 49 ? 7.17630 17.04436 41.12677 0.418 27.70525 H ? A ? 48 HG3 1
   ATOM 1371 HD2 B LYS A 49 ? 6.91619 15.11367 42.46954 0.418 41.18926 H ? A ? 48 HD2 1
   ATOM 1372 HD3 B LYS A 49 ? 5.47436 15.58395 42.94430 0.418 41.18926 H ? A ? 48 HD3 1
   ATOM 1373 HE2 B LYS A 49 ? 4.75496 14.26371 41.30252 0.418 44.75653 H ? A ? 48 HE2 1
   ATOM 1374 HE3 B LYS A 49 ? 5.11319 15.49854 40.36856 0.418 44.75653 H ? A ? 48 HE3 1
   ATOM 1375 HZ1 B LYS A 49 ? 6.07291 13.55935 39.65668 0.418 54.69926 H ? A ? 48 HZ1 1
   ATOM 1376 HZ2 B LYS A 49 ? 7.08358 14.55779 39.93950 0.418 54.69926 H ? A ? 48 HZ2 1
   ATOM 1377 HZ3 B LYS A 49 ? 6.85180 13.47655 40.87520 0.418 54.69926 H ? A ? 48 HZ3 1
   ATOM 1378 N . THR A 50 ? 4.14868 19.69173 43.07694 1.000 16.20106 N ? A ? 49 N 1
   ATOM 1379 CA . THR A 50 ? 2.85537 20.18464 42.60776 1.000 15.89689 C ? A ? 49 CA 1
   ATOM 1380 C . THR A 50 ? 2.93401 21.62995 42.17042 1.000 15.14522 C ? A ? 49 C 1
   ATOM 1381 O . THR A 50 ? 2.45154 21.99048 41.08077 1.000 16.04293 O ? A ? 49 O 1
   ATOM 1382 CB . THR A 50 ? 1.81683 19.97271 43.70619 1.000 18.64810 C ? A ? 49 CB 1
   ATOM 1383 OG1 . THR A 50 ? 1.71007 18.57918 44.03656 1.000 22.79675 O ? A ? 49 OG1 1
   ATOM 1384 CG2 . THR A 50 ? 0.48748 20.53325 43.31680 1.000 19.54861 C ? A ? 49 CG2 1
   ATOM 1385 HA . THR A 50 ? 2.57550 19.67922 41.82858 1.000 19.10743 H ? A ? 49 HA 1
   ATOM 1386 HB . THR A 50 ? 2.10183 20.44867 44.50189 1.000 22.40887 H ? A ? 49 HB 1
   ATOM 1387 HG1 . THR A 50 ? 2.42256 18.31305 44.39313 1.000 27.38726 H ? A ? 49 HG1 1
   ATOM 1388 HG21 . THR A 50 ? -0.20183 20.19448 43.90924 1.000 23.48948 H ? A ? 49 HG21 1
   ATOM 1389 HG22 . THR A 50 ? 0.50545 21.50129 43.37583 1.000 23.48948 H ? A ? 49 HG22 1
   ATOM 1390 HG23 . THR A 50 ? 0.27343 20.27733 42.40598 1.000 23.48948 H ? A ? 49 HG23 1
   ATOM 1391 H A THR A 50 ? 4.11699 19.37719 43.87673 0.582 19.47243 H ? A ? 49 H 1
   ATOM 1392 H B THR A 50 ? 4.14741 19.32735 43.85593 0.418 19.47243 H ? A ? 49 H 1
   ATOM 1393 N . LEU A 51 ? 3.47426 22.47516 43.01267 1.000 15.39399 N ? A ? 50 N 1
   ATOM 1394 CA . LEU A 51 ? 3.51953 23.89187 42.70897 1.000 14.87960 C ? A ? 50 CA 1
   ATOM 1395 C . LEU A 51 ? 4.31377 24.18943 41.51730 1.000 15.87212 C ? A ? 50 C 1
   ATOM 1396 O . LEU A 51 ? 4.03934 25.12083 40.69989 1.000 17.12817 O ? A ? 50 O 1
   ATOM 1397 CB . LEU A 51 ? 4.04194 24.72787 43.87496 1.000 17.19517 C ? A ? 50 CB 1
   ATOM 1398 CG . LEU A 51 ? 3.26955 24.63352 45.12705 1.000 15.95852 C ? A ? 50 CG 1
   ATOM 1399 CD1 . LEU A 51 ? 3.95450 25.26390 46.38713 1.000 19.61059 C ? A ? 50 CD1 1
   ATOM 1400 CD2 . LEU A 51 ? 1.86444 25.31818 44.96724 1.000 19.74976 C ? A ? 50 CD2 1
   ATOM 1401 H . LEU A 51 ? 3.82353 22.26080 43.76875 1.000 18.50394 H ? A ? 50 H 1
   ATOM 1402 HA . LEU A 51 ? 2.59810 24.14868 42.54803 1.000 17.88667 H ? A ? 50 HA 1
   ATOM 1403 HB2 . LEU A 51 ? 4.94727 24.44097 44.07236 1.000 20.66536 H ? A ? 50 HB2 1
   ATOM 1404 HB3 . LEU A 51 ? 4.04062 25.65952 43.60489 1.000 20.66536 H ? A ? 50 HB3 1
   ATOM 1405 HG . LEU A 51 ? 3.19334 23.68053 45.29108 1.000 19.18138 H ? A ? 50 HG 1
   ATOM 1406 HD11 . LEU A 51 ? 3.29777 25.34449 47.09643 1.000 23.56387 H ? A ? 50 HD11 1
   ATOM 1407 HD12 . LEU A 51 ? 4.68101 24.68819 46.67286 1.000 23.56387 H ? A ? 50 HD12 1
   ATOM 1408 HD13 . LEU A 51 ? 4.29894 26.14024 46.15413 1.000 23.56387 H ? A ? 50 HD13 1
   ATOM 1409 HD21 . LEU A 51 ? 1.41924 25.33035 45.82895 1.000 23.73087 H ? A ? 50 HD21 1
   ATOM 1410 HD22 . LEU A 51 ? 1.98968 26.22512 44.64679 1.000 23.73087 H ? A ? 50 HD22 1
   ATOM 1411 HD23 . LEU A 51 ? 1.33715 24.81192 44.32961 1.000 23.73087 H ? A ? 50 HD23 1
   ATOM 1412 N . SER A 52 ? 5.43480 23.45320 41.29347 1.000 15.13953 N ? A ? 51 N 1
   ATOM 1413 CA . SER A 52 ? 6.31895 23.73500 40.22715 1.000 16.65628 C ? A ? 51 CA 1
   ATOM 1414 C . SER A 52 ? 5.79540 23.49941 38.81909 1.000 15.77578 C ? A ? 51 C 1
   ATOM 1415 O . SER A 52 ? 6.39757 23.92042 37.84182 1.000 17.08653 O ? A ? 51 O 1
   ATOM 1416 CB . SER A 52 ? 7.57913 22.91580 40.40996 1.000 17.35937 C ? A ? 51 CB 1
   ATOM 1417 OG . SER A 52 ? 7.22180 21.52653 40.26742 1.000 22.61554 O ? A ? 51 OG 1
   ATOM 1418 H . SER A 52 ? 5.67672 22.78203 41.77369 1.000 18.19860 H ? A ? 51 H 1
   ATOM 1419 HA . SER A 52 ? 6.49801 24.68705 40.27653 1.000 20.01869 H ? A ? 51 HA 1
   ATOM 1420 HB2 . SER A 52 ? 8.22982 23.15868 39.73282 1.000 20.86240 H ? A ? 51 HB2 1
   ATOM 1421 HB3 . SER A 52 ? 7.94657 23.07135 41.29409 1.000 20.86240 H ? A ? 51 HB3 1
   ATOM 1422 HG . SER A 52 ? 7.91295 21.04931 40.28058 1.000 27.16980 H ? A ? 51 HG 1
   ATOM 1423 N . ALA A 53 ? 4.72599 22.74657 38.71664 1.000 14.39552 N ? A ? 52 N 1
   ATOM 1424 CA . ALA A 53 ? 4.05884 22.52780 37.47478 1.000 14.59658 C ? A ? 52 CA 1
   ATOM 1425 C . ALA A 53 ? 3.03864 23.65437 37.18139 1.000 15.41523 C ? A ? 52 C 1
   ATOM 1426 O . ALA A 53 ? 2.58042 23.57459 36.00021 1.000 20.79338 O ? A ? 52 O 1
   ATOM 1427 CB . ALA A 53 ? 3.36027 21.17424 37.53139 1.000 15.86962 C ? A ? 52 CB 1
   ATOM 1428 H . ALA A 53 ? 4.35960 22.33989 39.37995 1.000 17.30578 H ? A ? 52 H 1
   ATOM 1429 HA . ALA A 53 ? 4.68826 22.50083 36.73722 1.000 17.54705 H ? A ? 52 HA 1
   ATOM 1430 HB1 . ALA A 53 ? 2.89739 21.02243 36.69258 1.000 19.07470 H ? A ? 52 HB1 1
   ATOM 1431 HB2 . ALA A 53 ? 4.02458 20.48168 37.67265 1.000 19.07470 H ? A ? 52 HB2 1
   ATOM 1432 HB3 . ALA A 53 ? 2.72466 21.17729 38.26411 1.000 19.07470 H ? A ? 52 HB3 1
   ATOM 1433 N . LEU A 54 ? 2.73648 24.48096 38.02923 1.000 15.01099 N ? A ? 53 N 1
   ATOM 1434 CA . LEU A 54 ? 1.54220 25.40224 37.90484 1.000 15.50989 C ? A ? 53 CA 1
   ATOM 1435 C . LEU A 54 ? 1.82594 26.68384 37.09796 1.000 15.50591 C ? A ? 53 C 1
   ATOM 1436 O . LEU A 54 ? 0.92423 27.10232 36.35163 1.000 15.89477 O ? A ? 53 O 1
   ATOM 1437 CB . LEU A 54 ? 0.96758 25.77015 39.21476 1.000 15.42305 C ? A ? 53 CB 1
   ATOM 1438 CG . LEU A 54 ? 0.39920 24.60784 40.05555 1.000 16.75597 C ? A ? 53 CG 1
   ATOM 1439 CD1 . LEU A 54 ? -0.20065 25.10639 41.32047 1.000 17.64023 C ? A ? 53 CD1 1
   ATOM 1440 CD2 . LEU A 54 ? -0.65330 23.74214 39.32226 1.000 16.65926 C ? A ? 53 CD2 1
   ATOM 1441 H . LEU A 54 ? 3.17856 24.60021 38.75720 1.000 18.04435 H ? A ? 53 H 1
   ATOM 1442 HA . LEU A 54 ? 0.88819 24.88882 37.40527 1.000 18.64303 H ? A ? 53 HA 1
   ATOM 1443 HB2 . LEU A 54 ? 1.66353 26.19244 39.74223 1.000 18.53882 H ? A ? 53 HB2 1
   ATOM 1444 HB3 . LEU A 54 ? 0.24190 26.39531 39.06164 1.000 18.53882 H ? A ? 53 HB3 1
   ATOM 1445 HG . LEU A 54 ? 1.15928 24.03427 40.24044 1.000 20.13832 H ? A ? 53 HG 1
   ATOM 1446 HD11 . LEU A 54 ? -0.57755 24.35728 41.80800 1.000 21.19944 H ? A ? 53 HD11 1
   ATOM 1447 HD12 . LEU A 54 ? 0.49043 25.53247 41.85128 1.000 21.19944 H ? A ? 53 HD12 1
   ATOM 1448 HD13 . LEU A 54 ? -0.89727 25.74726 41.10854 1.000 21.19944 H ? A ? 53 HD13 1
   ATOM 1449 HD21 . LEU A 54 ? -1.03874 23.11291 39.95186 1.000 20.02227 H ? A ? 53 HD21 1
   ATOM 1450 HD22 . LEU A 54 ? -1.34598 24.32077 38.96688 1.000 20.02227 H ? A ? 53 HD22 1
   ATOM 1451 HD23 . LEU A 54 ? -0.21953 23.26277 38.59911 1.000 20.02227 H ? A ? 53 HD23 1
   ATOM 1452 N . PRO A 55 ? 3.00681 27.33157 37.16607 1.000 15.90325 N ? A ? 54 N 1
   ATOM 1453 CA . PRO A 55 ? 3.11254 28.65826 36.45473 1.000 14.59157 C ? A ? 54 CA 1
   ATOM 1454 C . PRO A 55 ? 2.96100 28.55157 35.05056 1.000 15.73425 C ? A ? 54 C 1
   ATOM 1455 O . PRO A 55 ? 2.39349 29.49236 34.40358 1.000 16.78822 O ? A ? 54 O 1
   ATOM 1456 CB . PRO A 55 ? 4.51073 29.08838 36.84050 1.000 17.95564 C ? A ? 54 CB 1
   ATOM 1457 CG . PRO A 55 ? 4.81783 28.39633 38.15779 1.000 17.24210 C ? A ? 54 CG 1
   ATOM 1458 CD . PRO A 55 ? 4.18603 27.02679 37.98715 1.000 15.78653 C ? A ? 54 CD 1
   ATOM 1459 HA . PRO A 55 ? 2.45901 29.29315 36.78745 1.000 17.54104 H ? A ? 54 HA 1
   ATOM 1460 HB2 . PRO A 55 ? 5.13737 28.81185 36.15366 1.000 21.57793 H ? A ? 54 HB2 1
   ATOM 1461 HB3 . PRO A 55 ? 4.53736 30.05234 36.94523 1.000 21.57793 H ? A ? 54 HB3 1
   ATOM 1462 HG2 . PRO A 55 ? 5.77664 28.32897 38.28829 1.000 20.72168 H ? A ? 54 HG2 1
   ATOM 1463 HG3 . PRO A 55 ? 4.41583 28.88107 38.89558 1.000 20.72168 H ? A ? 54 HG3 1
   ATOM 1464 HD2 . PRO A 55 ? 4.78594 26.41992 37.52594 1.000 18.97499 H ? A ? 54 HD2 1
   ATOM 1465 HD3 . PRO A 55 ? 3.92829 26.65139 38.84361 1.000 18.97499 H ? A ? 54 HD3 1
   ATOM 1466 N . TRP A 56 ? 3.27914 27.44174 34.34409 1.000 16.22950 N ? A ? 55 N 1
   ATOM 1467 CA . TRP A 56 ? 3.55930 27.40802 32.92647 1.000 17.35275 C ? A ? 55 CA 1
   ATOM 1468 C . TRP A 56 ? 2.29236 27.54370 32.06914 1.000 18.75134 C ? A ? 55 C 1
   ATOM 1469 O . TRP A 56 ? 2.31548 28.28668 31.05569 1.000 21.08875 O ? A ? 55 O 1
   ATOM 1470 H . TRP A 56 ? 3.33810 26.66038 34.69850 1.000 19.50655 H ? A ? 55 H 1
   ATOM 1471 HA . TRP A 56 ? 4.06147 28.18003 32.62196 1.000 20.85445 H ? A ? 55 HA 1
   ATOM 1472 CB A TRP A 56 ? 4.43321 26.19064 32.30290 0.328 15.07516 C ? A ? 55 CB 1
   ATOM 1473 CG A TRP A 56 ? 5.44680 25.96059 33.22985 0.328 15.13127 C ? A ? 55 CG 1
   ATOM 1474 CD1 A TRP A 56 ? 5.51518 24.89456 34.06918 0.328 12.90232 C ? A ? 55 CD1 1
   ATOM 1475 CD2 A TRP A 56 ? 6.41047 26.91067 33.68915 0.328 10.83079 C ? A ? 55 CD2 1
   ATOM 1476 NE1 A TRP A 56 ? 6.49766 25.09776 35.03072 0.328 11.02966 N ? A ? 55 NE1 1
   ATOM 1477 CE2 A TRP A 56 ? 7.08105 26.31510 34.79143 0.328 13.82831 C ? A ? 55 CE2 1
   ATOM 1478 CE3 A TRP A 56 ? 6.83108 28.17779 33.22011 0.328 10.87253 C ? A ? 55 CE3 1
   ATOM 1479 CZ2 A TRP A 56 ? 8.05265 26.98508 35.47998 0.328 13.57129 C ? A ? 55 CZ2 1
   ATOM 1480 CZ3 A TRP A 56 ? 7.80307 28.79870 33.91038 0.328 11.69160 C ? A ? 55 CZ3 1
   ATOM 1481 CH2 A TRP A 56 ? 8.40596 28.19802 35.02456 0.328 13.99487 C ? A ? 55 CH2 1
   ATOM 1482 HB2 A TRP A 56 ? 3.89006 25.39355 32.20028 0.328 18.12135 H ? A ? 55 HB2 1
   ATOM 1483 HB3 A TRP A 56 ? 4.81608 26.44350 31.44828 0.328 18.12135 H ? A ? 55 HB3 1
   ATOM 1484 HD1 A TRP A 56 ? 4.98025 24.13621 34.00882 0.328 15.51394 H ? A ? 55 HD1 1
   ATOM 1485 HE1 A TRP A 56 ? 6.70371 24.55478 35.66501 0.328 13.26675 H ? A ? 55 HE1 1
   ATOM 1486 HE3 A TRP A 56 ? 6.45053 28.56513 32.46509 0.328 13.07819 H ? A ? 55 HE3 1
   ATOM 1487 HZ2 A TRP A 56 ? 8.45320 26.61592 36.23376 0.328 16.31670 H ? A ? 55 HZ2 1
   ATOM 1488 HZ3 A TRP A 56 ? 8.08161 29.64482 33.64319 0.328 14.06107 H ? A ? 55 HZ3 1
   ATOM 1489 HH2 A TRP A 56 ? 9.08043 28.66003 35.46788 0.328 16.82500 H ? A ? 55 HH2 1
   ATOM 1490 CB B TRP A 56 ? 4.49998 26.22374 32.65406 0.672 16.35600 C ? A ? 55 CB 1
   ATOM 1491 CG B TRP A 56 ? 5.59807 26.11853 33.79287 0.672 15.50697 C ? A ? 55 CG 1
   ATOM 1492 CD1 B TRP A 56 ? 5.76315 25.05244 34.67297 0.672 16.30392 C ? A ? 55 CD1 1
   ATOM 1493 CD2 B TRP A 56 ? 6.46105 27.14338 34.26390 0.672 15.61919 C ? A ? 55 CD2 1
   ATOM 1494 NE1 B TRP A 56 ? 6.67549 25.35675 35.60485 0.672 17.28335 N ? A ? 55 NE1 1
   ATOM 1495 CE2 B TRP A 56 ? 7.11769 26.63574 35.42184 0.672 15.11337 C ? A ? 55 CE2 1
   ATOM 1496 CE3 B TRP A 56 ? 6.71302 28.46129 33.89623 0.672 13.46463 C ? A ? 55 CE3 1
   ATOM 1497 CZ2 B TRP A 56 ? 7.96368 27.32417 36.12492 0.672 15.37190 C ? A ? 55 CZ2 1
   ATOM 1498 CZ3 B TRP A 56 ? 7.58838 29.18497 34.62960 0.672 15.46841 C ? A ? 55 CZ3 1
   ATOM 1499 CH2 B TRP A 56 ? 8.20730 28.54805 35.75711 0.672 16.87542 C ? A ? 55 CH2 1
   ATOM 1500 HB2 B TRP A 56 ? 3.98881 25.39950 32.63872 0.672 19.65836 H ? A ? 55 HB2 1
   ATOM 1501 HB3 B TRP A 56 ? 4.94695 26.35281 31.80291 0.672 19.65836 H ? A ? 55 HB3 1
   ATOM 1502 HD1 B TRP A 56 ? 5.30534 24.24459 34.62113 0.672 19.59587 H ? A ? 55 HD1 1
   ATOM 1503 HE1 B TRP A 56 ? 6.94310 24.82571 36.22613 0.672 20.77118 H ? A ? 55 HE1 1
   ATOM 1504 HE3 B TRP A 56 ? 6.28732 28.83737 33.15986 0.672 16.18872 H ? A ? 55 HE3 1
   ATOM 1505 HZ2 B TRP A 56 ? 8.38262 26.95431 36.86829 0.672 18.47744 H ? A ? 55 HZ2 1
   ATOM 1506 HZ3 B TRP A 56 ? 7.78332 30.06750 34.41044 0.672 18.59325 H ? A ? 55 HZ3 1
   ATOM 1507 HH2 B TRP A 56 ? 8.81962 29.04009 36.25496 0.672 20.28166 H ? A ? 55 HH2 1
   ATOM 1508 N . ALA A 57 ? 1.18792 27.06416 32.63283 1.000 17.13843 N ? A ? 56 N 1
   ATOM 1509 CA . ALA A 57 ? -0.09309 27.20789 31.94398 1.000 18.40898 C ? A ? 56 CA 1
   ATOM 1510 C . ALA A 57 ? -0.66754 28.59930 32.07203 1.000 18.06027 C ? A ? 56 C 1
   ATOM 1511 O . ALA A 57 ? -1.71134 28.87768 31.39060 1.000 20.12240 O ? A ? 56 O 1
   ATOM 1512 CB . ALA A 57 ? -1.02827 26.16056 32.48736 1.000 21.22071 C ? A ? 56 CB 1
   ATOM 1513 H . ALA A 57 ? 1.15364 26.66240 33.39245 1.000 20.59728 H ? A ? 56 H 1
   ATOM 1514 HA . ALA A 57 ? 0.00162 27.05203 30.99127 1.000 22.12193 H ? A ? 56 HA 1
   ATOM 1515 HB1 . ALA A 57 ? -1.87845 26.22582 32.02494 1.000 25.49600 H ? A ? 56 HB1 1
   ATOM 1516 HB2 . ALA A 57 ? -0.63924 25.28392 32.34226 1.000 25.49600 H ? A ? 56 HB2 1
   ATOM 1517 HB3 . ALA A 57 ? -1.15560 26.31290 33.43683 1.000 25.49600 H ? A ? 56 HB3 1
   ATOM 1518 N . ALA A 58 ? -0.14973 29.44285 32.86704 1.000 15.63745 N ? A ? 57 N 1
   ATOM 1519 CA . ALA A 58 ? -0.58710 30.81241 33.01569 1.000 15.46653 C ? A ? 57 CA 1
   ATOM 1520 C . ALA A 58 ? 0.26540 31.77695 32.20359 1.000 14.39252 C ? A ? 57 C 1
   ATOM 1521 O . ALA A 58 ? 0.15611 32.98682 32.43556 1.000 15.99852 O ? A ? 57 O 1
   ATOM 1522 CB . ALA A 58 ? -0.69883 31.14680 34.45991 1.000 16.59413 C ? A ? 57 CB 1
   ATOM 1523 H . ALA A 58 ? 0.51146 29.25458 33.38374 1.000 18.79609 H ? A ? 57 H 1
   ATOM 1524 HA . ALA A 58 ? -1.48371 30.92663 32.66362 1.000 18.59100 H ? A ? 57 HA 1
   ATOM 1525 HB1 . ALA A 58 ? -0.93376 32.08360 34.54991 1.000 19.94412 H ? A ? 57 HB1 1
   ATOM 1526 HB2 . ALA A 58 ? -1.38758 30.59315 34.85990 1.000 19.94412 H ? A ? 57 HB2 1
   ATOM 1527 HB3 . ALA A 58 ? 0.15366 30.97674 34.89031 1.000 19.94412 H ? A ? 57 HB3 1
   ATOM 1528 N A PHE A 59 ? 1.00359 31.32707 31.23198 0.664 16.52158 N ? A ? 58 N 1
   ATOM 1529 CA A PHE A 59 ? 1.62484 32.13050 30.19676 0.664 16.32811 C ? A ? 58 CA 1
   ATOM 1530 C A PHE A 59 ? 0.92676 31.78400 28.85471 0.664 15.65833 C ? A ? 58 C 1
   ATOM 1531 O A PHE A 59 ? 1.57489 31.66489 27.81020 0.664 17.14863 O ? A ? 58 O 1
   ATOM 1532 CB A PHE A 59 ? 3.15838 31.98917 30.18762 0.664 17.29492 C ? A ? 58 CB 1
   ATOM 1533 CG A PHE A 59 ? 3.90875 32.40319 31.46048 0.664 16.49125 C ? A ? 58 CG 1
   ATOM 1534 CD1 A PHE A 59 ? 4.14847 31.45274 32.41908 0.664 15.36138 C ? A ? 58 CD1 1
   ATOM 1535 CD2 A PHE A 59 ? 4.45326 33.67497 31.63862 0.664 15.69609 C ? A ? 58 CD2 1
   ATOM 1536 CE1 A PHE A 59 ? 4.85058 31.75504 33.51038 0.664 15.15090 C ? A ? 58 CE1 1
   ATOM 1537 CE2 A PHE A 59 ? 5.14072 34.00569 32.72005 0.664 15.48422 C ? A ? 58 CE2 1
   ATOM 1538 CZ A PHE A 59 ? 5.43051 33.06879 33.69526 0.664 16.05279 C ? A ? 58 CZ 1
   ATOM 1539 H A PHE A 59 ? 1.18003 30.49111 31.13381 0.664 19.85705 H ? A ? 58 H 1
   ATOM 1540 HA A PHE A 59 ? 1.50909 33.07975 30.35933 0.664 19.62489 H ? A ? 58 HA 1
   ATOM 1541 HB2 A PHE A 59 ? 3.37116 31.05659 30.02658 0.664 20.78506 H ? A ? 58 HB2 1
   ATOM 1542 HB3 A PHE A 59 ? 3.50432 32.53773 29.46630 0.664 20.78506 H ? A ? 58 HB3 1
   ATOM 1543 HD1 A PHE A 59 ? 3.81853 30.59053 32.30675 0.664 18.46482 H ? A ? 58 HD1 1
   ATOM 1544 HD2 A PHE A 59 ? 4.32878 34.31324 30.97378 0.664 18.86647 H ? A ? 58 HD2 1
   ATOM 1545 HE1 A PHE A 59 ? 4.97077 31.10815 34.16763 0.664 18.21224 H ? A ? 58 HE1 1
   ATOM 1546 HE2 A PHE A 59 ? 5.43360 34.88200 32.82591 0.664 18.61221 H ? A ? 58 HE2 1
   ATOM 1547 HZ A PHE A 59 ? 5.96695 33.27097 34.42756 0.664 19.29450 H ? A ? 58 HZ 1
   ATOM 1548 N B PHE A 59 ? 0.98999 31.29345 31.23104 0.336 16.51104 N ? A ? 58 N 1
   ATOM 1549 CA B PHE A 59 ? 1.71888 32.10714 30.28082 0.336 16.10189 C ? A ? 58 CA 1
   ATOM 1550 C B PHE A 59 ? 1.19678 31.84496 28.86409 0.336 18.62102 C ? A ? 58 C 1
   ATOM 1551 O B PHE A 59 ? 1.96374 31.84943 27.89384 0.336 19.92497 O ? A ? 58 O 1
   ATOM 1552 CB B PHE A 59 ? 3.18957 31.78901 30.30438 0.336 17.21382 C ? A ? 58 CB 1
   ATOM 1553 CG B PHE A 59 ? 3.93658 32.26675 31.43794 0.336 16.79686 C ? A ? 58 CG 1
   ATOM 1554 CD1 B PHE A 59 ? 4.08074 31.46179 32.61127 0.336 14.17804 C ? A ? 58 CD1 1
   ATOM 1555 CD2 B PHE A 59 ? 4.64421 33.42805 31.29840 0.336 15.46856 C ? A ? 58 CD2 1
   ATOM 1556 CE1 B PHE A 59 ? 4.85808 31.83942 33.64427 0.336 15.66491 C ? A ? 58 CE1 1
   ATOM 1557 CE2 B PHE A 59 ? 5.48805 33.80301 32.27649 0.336 12.23500 C ? A ? 58 CE2 1
   ATOM 1558 CZ B PHE A 59 ? 5.61795 33.00394 33.46429 0.336 13.46692 C ? A ? 58 CZ 1
   ATOM 1559 H B PHE A 59 ? 1.08410 30.45069 31.08785 0.336 19.84440 H ? A ? 58 H 1
   ATOM 1560 HA B PHE A 59 ? 1.59163 33.03800 30.52208 0.336 19.35342 H ? A ? 58 HA 1
   ATOM 1561 HB2 B PHE A 59 ? 3.28854 30.82424 30.28600 0.336 20.68774 H ? A ? 58 HB2 1
   ATOM 1562 HB3 B PHE A 59 ? 3.59399 32.17911 29.51371 0.336 20.68774 H ? A ? 58 HB3 1
   ATOM 1563 HD1 B PHE A 59 ? 3.62399 30.65330 32.66249 0.336 17.04480 H ? A ? 58 HD1 1
   ATOM 1564 HD2 B PHE A 59 ? 4.54346 33.95223 30.53683 0.336 18.59343 H ? A ? 58 HD2 1
   ATOM 1565 HE1 B PHE A 59 ? 4.88923 31.35280 34.43619 0.336 18.82905 H ? A ? 58 HE1 1
   ATOM 1566 HE2 B PHE A 59 ? 5.98873 34.58125 32.18402 0.336 14.71316 H ? A ? 58 HE2 1
   ATOM 1567 HZ B PHE A 59 ? 6.21737 33.26432 34.12595 0.336 16.19146 H ? A ? 58 HZ 1
   ATOM 1568 N A GLY A 60 ? -0.38850 31.63350 28.87318 0.664 18.04643 N ? A ? 59 N 1
   ATOM 1569 CA A GLY A 60 ? -1.16325 31.30164 27.66949 0.664 18.58101 C ? A ? 59 CA 1
   ATOM 1570 C A GLY A 60 ? -1.14234 32.46714 26.67137 0.664 18.86031 C ? A ? 59 C 1
   ATOM 1571 O A GLY A 60 ? -0.72226 33.58936 27.00245 0.664 18.17824 O ? A ? 59 O 1
   ATOM 1572 H A GLY A 60 ? -0.87172 31.71828 29.57952 0.664 21.68687 H ? A ? 59 H 1
   ATOM 1573 HA2 A GLY A 60 ? -0.78473 30.51734 27.24229 0.664 22.32837 H ? A ? 59 HA2 1
   ATOM 1574 HA3 A GLY A 60 ? -2.08342 31.11530 27.91333 0.664 22.32837 H ? A ? 59 HA3 1
   ATOM 1575 N B GLY A 60 ? -0.12455 31.64200 28.75797 0.336 16.00923 N ? A ? 59 N 1
   ATOM 1576 CA B GLY A 60 ? -0.77926 31.27522 27.52486 0.336 20.03135 C ? A ? 59 CA 1
   ATOM 1577 C B GLY A 60 ? -0.82430 32.42073 26.53260 0.336 21.05923 C ? A ? 59 C 1
   ATOM 1578 O B GLY A 60 ? -0.22052 33.49119 26.72725 0.336 21.33570 O ? A ? 59 O 1
   ATOM 1579 H B GLY A 60 ? -0.67199 31.71645 29.41703 0.336 19.24223 H ? A ? 59 H 1
   ATOM 1580 HA2 B GLY A 60 ? -0.30332 30.53540 27.11614 0.336 24.06878 H ? A ? 59 HA2 1
   ATOM 1581 HA3 B GLY A 60 ? -1.68960 30.99900 27.71427 0.336 24.06878 H ? A ? 59 HA3 1
   ATOM 1582 N . PRO A 61 ? -1.50992 32.19853 25.43133 1.000 22.45007 N ? A ? 60 N 1
   ATOM 1583 CA . PRO A 61 ? -1.55924 33.26105 24.41157 1.000 26.03237 C ? A ? 60 CA 1
   ATOM 1584 C . PRO A 61 ? -2.33465 34.45863 24.92344 1.000 20.56935 C ? A ? 60 C 1
   ATOM 1585 O . PRO A 61 ? -3.38127 34.36242 25.59788 1.000 22.73376 O ? A ? 60 O 1
   ATOM 1586 CB . PRO A 61 ? -2.29958 32.57766 23.24227 1.000 37.24320 C ? A ? 60 CB 1
   ATOM 1587 CG . PRO A 61 ? -1.86686 31.04998 23.27355 1.000 29.74415 C ? A ? 60 CG 1
   ATOM 1588 CD . PRO A 61 ? -2.03192 30.89484 24.89096 1.000 23.24802 C ? A ? 60 CD 1
   ATOM 1589 HA . PRO A 61 ? -0.66827 33.52880 24.13699 1.000 31.27000 H ? A ? 60 HA 1
   ATOM 1590 HB2 . PRO A 61 ? -3.25733 32.66496 23.36875 1.000 44.72300 H ? A ? 60 HB2 1
   ATOM 1591 HB3 . PRO A 61 ? -2.03644 32.99105 22.40516 1.000 44.72300 H ? A ? 60 HB3 1
   ATOM 1592 HG2 . PRO A 61 ? -2.47249 30.48309 22.77081 1.000 35.72414 H ? A ? 60 HG2 1
   ATOM 1593 HG3 . PRO A 61 ? -0.95626 30.91658 22.96712 1.000 35.72414 H ? A ? 60 HG3 1
   ATOM 1594 HD2 . PRO A 61 ? -2.96377 30.77225 25.13081 1.000 27.92878 H ? A ? 60 HD2 1
   ATOM 1595 HD3 . PRO A 61 ? -1.50395 30.15069 25.22017 1.000 27.92878 H ? A ? 60 HD3 1
   ATOM 1596 N . GLY A 62 ? -1.82224 35.64032 24.67184 1.000 24.48457 N ? A ? 61 N 1
   ATOM 1597 CA . GLY A 62 ? -2.56507 36.82456 25.10593 1.000 25.44036 C ? A ? 61 CA 1
   ATOM 1598 C . GLY A 62 ? -2.30646 37.27406 26.52071 1.000 30.78938 C ? A ? 61 C 1
   ATOM 1599 O . GLY A 62 ? -2.81685 38.31578 26.91847 1.000 23.13474 O ? A ? 61 O 1
   ATOM 1600 H . GLY A 62 ? -1.07723 35.78809 24.26844 1.000 29.41264 H ? A ? 61 H 1
   ATOM 1601 HA2 . GLY A 62 ? -2.33803 37.56231 24.51851 1.000 30.55959 H ? A ? 61 HA2 1
   ATOM 1602 HA3 . GLY A 62 ? -3.51377 36.63843 25.02696 1.000 30.55959 H ? A ? 61 HA3 1
   ATOM 1603 N A THR A 63 ? -1.51877 36.53575 27.32088 0.567 20.16954 N ? A ? 62 N 1
   ATOM 1604 CA A THR A 63 ? -1.33217 36.86333 28.72505 0.567 19.97058 C ? A ? 62 CA 1
   ATOM 1605 C A THR A 63 ? -0.05487 37.62432 29.02097 0.567 17.15823 C ? A ? 62 C 1
   ATOM 1606 O A THR A 63 ? 0.47619 37.62713 30.16212 0.567 18.09261 O ? A ? 62 O 1
   ATOM 1607 CB A THR A 63 ? -1.41896 35.64135 29.64787 0.567 19.00037 C ? A ? 62 CB 1
   ATOM 1608 OG1 A THR A 63 ? -0.15614 34.93280 29.52499 0.567 19.16671 O ? A ? 62 OG1 1
   ATOM 1609 CG2 A THR A 63 ? -2.62733 34.82411 29.39241 0.567 22.22997 C ? A ? 62 CG2 1
   ATOM 1610 H A THR A 63 ? -1.08485 35.83971 27.06234 0.567 24.23460 H ? A ? 62 H 1
   ATOM 1611 HA A THR A 63 ? -2.08194 37.44004 28.93988 0.567 23.99586 H ? A ? 62 HA 1
   ATOM 1612 HB A THR A 63 ? -1.53863 35.88827 30.57826 0.567 22.83160 H ? A ? 62 HB 1
   ATOM 1613 HG1 A THR A 63 ? -0.22193 34.16739 29.86472 0.567 23.03120 H ? A ? 62 HG1 1
   ATOM 1614 HG21 A THR A 63 ? -2.66594 34.08427 30.01854 0.567 26.70712 H ? A ? 62 HG21 1
   ATOM 1615 HG22 A THR A 63 ? -3.42381 35.36763 29.49783 0.567 26.70712 H ? A ? 62 HG22 1
   ATOM 1616 HG23 A THR A 63 ? -2.60431 34.47122 28.48917 0.567 26.70712 H ? A ? 62 HG23 1
   ATOM 1617 N B THR A 63 ? -1.49708 36.54372 27.30231 0.433 20.52621 N ? A ? 62 N 1
   ATOM 1618 CA B THR A 63 ? -1.25285 36.82289 28.71432 0.433 19.77159 C ? A ? 62 CA 1
   ATOM 1619 C B THR A 63 ? 0.03245 37.60200 28.98759 0.433 18.52644 C ? A ? 62 C 1
   ATOM 1620 O B THR A 63 ? 0.66411 37.56133 30.06806 0.433 18.41645 O ? A ? 62 O 1
   ATOM 1621 CB B THR A 63 ? -1.34605 35.51253 29.52405 0.433 18.63097 C ? A ? 62 CB 1
   ATOM 1622 OG1 B THR A 63 ? -0.31640 34.58380 29.12734 0.433 14.29890 O ? A ? 62 OG1 1
   ATOM 1623 CG2 B THR A 63 ? -2.70415 34.90771 29.41865 0.433 22.06867 C ? A ? 62 CG2 1
   ATOM 1624 H B THR A 63 ? -1.06425 35.85602 27.02065 0.433 24.66261 H ? A ? 62 H 1
   ATOM 1625 HA B THR A 63 ? -1.95383 37.41114 29.03603 0.433 23.75707 H ? A ? 62 HA 1
   ATOM 1626 HB B THR A 63 ? -1.20204 35.71290 30.46214 0.433 22.38833 H ? A ? 62 HB 1
   ATOM 1627 HG1 B THR A 63 ? 0.44040 34.89715 29.31352 0.433 17.18984 H ? A ? 62 HG1 1
   ATOM 1628 HG21 B THR A 63 ? -2.77735 34.14981 30.01958 0.433 26.51356 H ? A ? 62 HG21 1
   ATOM 1629 HG22 B THR A 63 ? -3.37862 35.56342 29.65535 0.433 26.51356 H ? A ? 62 HG22 1
   ATOM 1630 HG23 B THR A 63 ? -2.86340 34.60601 28.51062 0.433 26.51356 H ? A ? 62 HG23 1
   ATOM 1631 N . GLU A 64 ? 0.46328 38.43469 28.03082 1.000 20.56883 N ? A ? 63 N 1
   ATOM 1632 CA . GLU A 64 ? 1.56042 39.31307 28.27605 1.000 18.59256 C ? A ? 63 CA 1
   ATOM 1633 C . GLU A 64 ? 1.26000 40.28676 29.40016 1.000 18.09512 C ? A ? 63 C 1
   ATOM 1634 O . GLU A 64 ? 0.08966 40.68878 29.62631 1.000 20.15818 O ? A ? 63 O 1
   ATOM 1635 CB . GLU A 64 ? 1.88772 40.11468 26.98519 1.000 21.30475 C ? A ? 63 CB 1
   ATOM 1636 CG . GLU A 64 ? 2.30455 39.25575 25.76521 1.000 20.59611 C ? A ? 63 CG 1
   ATOM 1637 CD . GLU A 64 ? 1.33285 38.39705 25.05388 1.000 17.34484 C ? A ? 63 CD 1
   ATOM 1638 OE1 . GLU A 64 ? 0.12740 38.49765 25.24392 1.000 22.50435 O ? A ? 63 OE1 1
   ATOM 1639 OE2 . GLU A 64 ? 1.83550 37.50332 24.27330 1.000 22.17555 O ? A ? 63 OE2 1
   ATOM 1640 HA . GLU A 64 ? 2.32891 38.78130 28.53595 1.000 22.34223 H ? A ? 63 HA 1
   ATOM 1641 HB2 . GLU A 64 ? 1.09951 40.61888 26.72946 1.000 25.59686 H ? A ? 63 HB2 1
   ATOM 1642 HB3 . GLU A 64 ? 2.62070 40.72005 27.17797 1.000 25.59686 H ? A ? 63 HB3 1
   ATOM 1643 HG2 . GLU A 64 ? 2.65210 39.86648 25.09655 1.000 24.74649 H ? A ? 63 HG2 1
   ATOM 1644 HG3 . GLU A 64 ? 3.00761 38.65979 26.06759 1.000 24.74649 H ? A ? 63 HG3 1
   ATOM 1645 H A GLU A 64 ? 0.16842 38.46379 27.22348 0.567 24.71375 H ? A ? 63 H 1
   ATOM 1646 H B GLU A 64 ? 0.12551 38.49458 27.24220 0.433 24.71375 H ? A ? 63 H 1
   ATOM 1647 N . GLY A 65 ? 2.29301 40.54337 30.17660 1.000 19.09656 N ? A ? 64 N 1
   ATOM 1648 CA . GLY A 65 ? 2.20761 41.40106 31.35705 1.000 21.66342 C ? A ? 64 CA 1
   ATOM 1649 C . GLY A 65 ? 3.14844 41.00614 32.47125 1.000 18.67172 C ? A ? 64 C 1
   ATOM 1650 O . GLY A 65 ? 4.04154 40.12484 32.31023 1.000 17.72713 O ? A ? 64 O 1
   ATOM 1651 H . GLY A 65 ? 3.08149 40.22681 30.04358 1.000 22.94703 H ? A ? 64 H 1
   ATOM 1652 HA2 . GLY A 65 ? 2.41551 42.31306 31.10025 1.000 26.02726 H ? A ? 64 HA2 1
   ATOM 1653 HA3 . GLY A 65 ? 1.30285 41.36950 31.70533 1.000 26.02726 H ? A ? 64 HA3 1
   ATOM 1654 N . GLY A 66 ? 3.06255 41.64759 33.57106 1.000 19.42531 N ? A ? 65 N 1
   ATOM 1655 CA . GLY A 66 ? 3.93584 41.43795 34.66952 1.000 19.24023 C ? A ? 65 CA 1
   ATOM 1656 C . GLY A 66 ? 5.37607 41.65536 34.26915 1.000 21.04605 C ? A ? 65 C 1
   ATOM 1657 O . GLY A 66 ? 5.75482 42.58310 33.48160 1.000 20.13029 O ? A ? 65 O 1
   ATOM 1658 H . GLY A 66 ? 2.47092 42.25206 33.72659 1.000 23.34153 H ? A ? 65 H 1
   ATOM 1659 HA2 . GLY A 66 ? 3.71520 42.05566 35.38412 1.000 23.11943 H ? A ? 65 HA2 1
   ATOM 1660 HA3 . GLY A 66 ? 3.83756 40.52970 34.99561 1.000 23.11943 H ? A ? 65 HA3 1
   ATOM 1661 N . ASP A 67 ? 6.28169 40.84470 34.86674 1.000 19.57533 N ? A ? 66 N 1
   ATOM 1662 CA . ASP A 67 ? 7.68088 40.86676 34.57142 1.000 18.54729 C ? A ? 66 CA 1
   ATOM 1663 C . ASP A 67 ? 8.08386 39.84684 33.54241 1.000 16.88111 C ? A ? 66 C 1
   ATOM 1664 O . ASP A 67 ? 9.28524 39.51926 33.42652 1.000 20.48430 O ? A ? 66 O 1
   ATOM 1665 CB . ASP A 67 ? 8.55725 40.78362 35.82491 1.000 21.63618 C ? A ? 66 CB 1
   ATOM 1666 CG . ASP A 67 ? 8.47472 41.99630 36.69932 1.000 38.87832 C ? A ? 66 CG 1
   ATOM 1667 OD1 . ASP A 67 ? 8.27206 43.06132 36.12745 1.000 37.03440 O ? A ? 66 OD1 1
   ATOM 1668 OD2 . ASP A 67 ? 8.56783 41.86185 37.93846 1.000 39.68372 O ? A ? 66 OD2 1
   ATOM 1669 H . ASP A 67 ? 6.07453 40.26205 35.46441 1.000 23.52155 H ? A ? 66 H 1
   ATOM 1670 HA . ASP A 67 ? 7.86973 41.74183 34.19792 1.000 22.28790 H ? A ? 66 HA 1
   ATOM 1671 HB2 . ASP A 67 ? 8.27670 40.01921 36.35204 1.000 25.99457 H ? A ? 66 HB2 1
   ATOM 1672 HB3 . ASP A 67 ? 9.48225 40.67751 35.55286 1.000 25.99457 H ? A ? 66 HB3 1
   ATOM 1673 N A ALA A 68 ? 7.12374 39.31075 32.81566 0.123 17.86439 N ? A ? 67 N 1
   ATOM 1674 CA A ALA A 68 ? 7.39998 38.35717 31.75551 0.123 19.57524 C ? A ? 67 CA 1
   ATOM 1675 C A ALA A 68 ? 7.96274 39.12256 30.56831 0.123 18.19285 C ? A ? 67 C 1
   ATOM 1676 O A ALA A 68 ? 7.42879 40.17379 30.20437 0.123 16.75250 O ? A ? 67 O 1
   ATOM 1677 CB A ALA A 68 ? 6.09379 37.67076 31.35755 0.123 16.59766 C ? A ? 67 CB 1
   ATOM 1678 H A ALA A 68 ? 6.28745 39.48421 32.91636 0.123 21.46842 H ? A ? 67 H 1
   ATOM 1679 HA A ALA A 68 ? 8.03730 37.68310 32.03899 0.123 23.52144 H ? A ? 67 HA 1
   ATOM 1680 HB1 A ALA A 68 ? 6.27303 37.04195 30.64105 0.123 19.94835 H ? A ? 67 HB1 1
   ATOM 1681 HB2 A ALA A 68 ? 5.73620 37.20165 32.12759 0.123 19.94835 H ? A ? 67 HB2 1
   ATOM 1682 HB3 A ALA A 68 ? 5.46242 38.34316 31.05731 0.123 19.94835 H ? A ? 67 HB3 1
   ATOM 1683 N B ALA A 68 ? 7.15370 39.37301 32.72873 0.274 17.77344 N ? A ? 67 N 1
   ATOM 1684 CA B ALA A 68 ? 7.37811 38.34260 31.70914 0.274 19.71369 C ? A ? 67 CA 1
   ATOM 1685 C B ALA A 68 ? 7.86709 38.95269 30.39579 0.274 17.50083 C ? A ? 67 C 1
   ATOM 1686 O B ALA A 68 ? 7.18010 39.82112 29.81674 0.274 15.93110 O ? A ? 67 O 1
   ATOM 1687 CB B ALA A 68 ? 6.03089 37.66753 31.49461 0.274 16.11250 C ? A ? 67 CB 1
   ATOM 1688 H B ALA A 68 ? 6.33703 39.64220 32.74213 0.274 21.35928 H ? A ? 67 H 1
   ATOM 1689 HA B ALA A 68 ? 8.06439 37.71911 31.99405 0.274 23.68759 H ? A ? 67 HA 1
   ATOM 1690 HB1 B ALA A 68 ? 6.12980 36.96998 30.82787 0.274 19.36616 H ? A ? 67 HB1 1
   ATOM 1691 HB2 B ALA A 68 ? 5.73311 37.28306 32.33390 0.274 19.36616 H ? A ? 67 HB2 1
   ATOM 1692 HB3 B ALA A 68 ? 5.39120 38.32936 31.18853 0.274 19.36616 H ? A ? 67 HB3 1
   ATOM 1693 N C ALA A 68 ? 7.15259 39.36499 32.74180 0.314 17.75966 N ? A ? 67 N 1
   ATOM 1694 CA C ALA A 68 ? 7.38763 38.34092 31.72239 0.314 19.73567 C ? A ? 67 CA 1
   ATOM 1695 C C ALA A 68 ? 7.88192 38.97103 30.42426 0.314 17.63972 C ? A ? 67 C 1
   ATOM 1696 O C ALA A 68 ? 7.21210 39.87149 29.88080 0.314 15.82494 O ? A ? 67 O 1
   ATOM 1697 CB C ALA A 68 ? 6.04687 37.66659 31.48258 0.314 16.16247 C ? A ? 67 CB 1
   ATOM 1698 H C ALA A 68 ? 6.33238 39.62262 32.76383 0.314 21.34275 H ? A ? 67 H 1
   ATOM 1699 HA C ALA A 68 ? 8.06805 37.71306 32.01172 0.314 23.71396 H ? A ? 67 HA 1
   ATOM 1700 HB1 C ALA A 68 ? 6.15674 36.97516 30.81120 0.314 19.42612 H ? A ? 67 HB1 1
   ATOM 1701 HB2 C ALA A 68 ? 5.73754 37.27419 32.31398 0.314 19.42612 H ? A ? 67 HB2 1
   ATOM 1702 HB3 C ALA A 68 ? 5.41056 38.33007 31.17306 0.314 19.42612 H ? A ? 67 HB3 1
   ATOM 1703 N D ALA A 68 ? 7.10855 39.28031 32.86674 0.289 18.06357 N ? A ? 67 N 1
   ATOM 1704 CA D ALA A 68 ? 7.40089 38.34916 31.78954 0.289 19.78098 C ? A ? 67 CA 1
   ATOM 1705 C D ALA A 68 ? 8.05907 39.18557 30.71121 0.289 17.90736 C ? A ? 67 C 1
   ATOM 1706 O D ALA A 68 ? 7.65177 40.33461 30.50952 0.289 17.52946 O ? A ? 67 O 1
   ATOM 1707 CB D ALA A 68 ? 6.08346 37.73046 31.27183 0.289 16.78660 C ? A ? 67 CB 1
   ATOM 1708 H D ALA A 68 ? 6.27075 39.41405 33.00746 0.289 21.70744 H ? A ? 67 H 1
   ATOM 1709 HA D ALA A 68 ? 7.96977 37.61099 32.05855 0.289 23.76833 H ? A ? 67 HA 1
   ATOM 1710 HB1 D ALA A 68 ? 6.28570 37.11646 30.54865 0.289 20.17508 H ? A ? 67 HB1 1
   ATOM 1711 HB2 D ALA A 68 ? 5.65100 37.25494 31.99830 0.289 20.17508 H ? A ? 67 HB2 1
   ATOM 1712 HB3 D ALA A 68 ? 5.50573 38.44055 30.95105 0.289 20.17508 H ? A ? 67 HB3 1
   ATOM 1713 N A ARG A 69 ? 9.03334 38.61631 29.96259 0.123 18.68767 N ? A ? 68 N 1
   ATOM 1714 CA A ARG A 69 ? 9.51641 39.18979 28.71313 0.123 17.45794 C ? A ? 68 CA 1
   ATOM 1715 C A ARG A 69 ? 8.69087 38.66723 27.54082 0.123 17.59909 C ? A ? 68 C 1
   ATOM 1716 O A ARG A 69 ? 8.22116 37.52439 27.56167 0.123 19.52338 O ? A ? 68 O 1
   ATOM 1717 CB A ARG A 69 ? 10.97202 38.82402 28.46875 0.123 18.40239 C ? A ? 68 CB 1
   ATOM 1718 CG A ARG A 69 ? 11.95956 39.65511 29.25667 0.123 21.42381 C ? A ? 68 CG 1
   ATOM 1719 CD A ARG A 69 ? 13.40730 39.32172 28.91763 0.123 25.21860 C ? A ? 68 CD 1
   ATOM 1720 NE A ARG A 69 ? 14.36534 40.25107 29.50888 0.123 24.37652 N ? A ? 68 NE 1
   ATOM 1721 CZ A ARG A 69 ? 15.68678 40.11977 29.45043 0.123 29.13896 C ? A ? 68 CZ 1
   ATOM 1722 NH1 A ARG A 69 ? 16.25508 39.10279 28.82784 0.123 26.00173 N ? A ? 68 NH1 1
   ATOM 1723 NH2 A ARG A 69 ? 16.45997 41.04277 30.02225 0.123 31.61972 N ? A ? 68 NH2 1
   ATOM 1724 H A ARG A 69 ? 9.49192 37.94873 30.25181 0.123 22.45636 H ? A ? 68 H 1
   ATOM 1725 HA A ARG A 69 ? 9.44323 40.15573 28.76317 0.123 20.98069 H ? A ? 68 HA 1
   ATOM 1726 HB2 A ARG A 69 ? 11.10449 37.89567 28.71680 0.123 22.11402 H ? A ? 68 HB2 1
   ATOM 1727 HB3 A ARG A 69 ? 11.16895 38.94712 27.52696 0.123 22.11402 H ? A ? 68 HB3 1
   ATOM 1728 HG2 A ARG A 69 ? 11.81333 40.59340 29.05886 0.123 25.73972 H ? A ? 68 HG2 1
   ATOM 1729 HG3 A ARG A 69 ? 11.82759 39.49120 30.20357 0.123 25.73972 H ? A ? 68 HG3 1
   ATOM 1730 HD2 A ARG A 69 ? 13.61125 38.43306 29.24866 0.123 30.29348 H ? A ? 68 HD2 1
   ATOM 1731 HD3 A ARG A 69 ? 13.51955 39.35087 27.95458 0.123 30.29348 H ? A ? 68 HD3 1
   ATOM 1732 HE A ARG A 69 ? 14.05138 40.93443 29.92608 0.123 29.28298 H ? A ? 68 HE 1
   ATOM 1733 HH11 A ARG A 69 ? 15.76784 38.50491 28.44739 0.123 31.23323 H ? A ? 68 HH11 1
   ATOM 1734 HH12 A ARG A 69 ? 17.11232 39.03854 28.80295 0.123 31.23323 H ? A ? 68 HH12 1
   ATOM 1735 HH21 A ARG A 69 ? 16.10281 41.71432 30.42358 0.123 37.97482 H ? A ? 68 HH21 1
   ATOM 1736 HH22 A ARG A 69 ? 17.31599 40.96673 29.98987 0.123 37.97482 H ? A ? 68 HH22 1
   ATOM 1737 N B ARG A 69 ? 9.07993 38.64130 29.97193 0.274 18.78238 N ? A ? 68 N 1
   ATOM 1738 CA B ARG A 69 ? 9.53952 39.19134 28.69856 0.274 17.16957 C ? A ? 68 CA 1
   ATOM 1739 C B ARG A 69 ? 8.71980 38.65455 27.53846 0.274 17.62595 C ? A ? 68 C 1
   ATOM 1740 O B ARG A 69 ? 8.32094 37.48994 27.51380 0.274 19.43115 O ? A ? 68 O 1
   ATOM 1741 CB B ARG A 69 ? 10.99158 38.87170 28.44952 0.274 18.26139 C ? A ? 68 CB 1
   ATOM 1742 CG B ARG A 69 ? 11.85931 39.64418 29.39619 0.274 21.18360 C ? A ? 68 CG 1
   ATOM 1743 CD B ARG A 69 ? 13.30856 39.35730 29.24465 0.274 24.86180 C ? A ? 68 CD 1
   ATOM 1744 NE B ARG A 69 ? 14.16915 40.07158 30.19371 0.274 27.86352 N ? A ? 68 NE 1
   ATOM 1745 CZ B ARG A 69 ? 15.12628 40.93171 29.83852 0.274 34.46562 C ? A ? 68 CZ 1
   ATOM 1746 NH1 B ARG A 69 ? 15.30815 41.27568 28.57470 0.274 37.66308 N ? A ? 68 NH1 1
   ATOM 1747 NH2 B ARG A 69 ? 15.89219 41.48958 30.76621 0.274 22.42239 N ? A ? 68 NH2 1
   ATOM 1748 H B ARG A 69 ? 9.63923 38.13358 30.38301 0.274 22.57001 H ? A ? 68 H 1
   ATOM 1749 HA B ARG A 69 ? 9.43588 40.15500 28.73747 0.274 20.63464 H ? A ? 68 HA 1
   ATOM 1750 HB2 B ARG A 69 ? 11.14510 37.92413 28.58901 0.274 21.94483 H ? A ? 68 HB2 1
   ATOM 1751 HB3 B ARG A 69 ? 11.22767 39.11581 27.54091 0.274 21.94483 H ? A ? 68 HB3 1
   ATOM 1752 HG2 B ARG A 69 ? 11.72747 40.59225 29.23907 0.274 25.45148 H ? A ? 68 HG2 1
   ATOM 1753 HG3 B ARG A 69 ? 11.60704 39.42039 30.30569 0.274 25.45148 H ? A ? 68 HG3 1
   ATOM 1754 HD2 B ARG A 69 ? 13.45210 38.40714 29.37691 0.274 29.86531 H ? A ? 68 HD2 1
   ATOM 1755 HD3 B ARG A 69 ? 13.58344 39.61302 28.35025 0.274 29.86531 H ? A ? 68 HD3 1
   ATOM 1756 HE B ARG A 69 ? 14.04942 39.92694 31.03297 0.274 33.46739 H ? A ? 68 HE 1
   ATOM 1757 HH11 B ARG A 69 ? 14.80434 40.94361 27.96191 0.274 45.22685 H ? A ? 68 HH11 1
   ATOM 1758 HH12 B ARG A 69 ? 15.93023 41.83144 28.36557 0.274 45.22685 H ? A ? 68 HH12 1
   ATOM 1759 HH21 B ARG A 69 ? 15.77207 41.29715 31.59576 0.274 26.93803 H ? A ? 68 HH21 1
   ATOM 1760 HH22 B ARG A 69 ? 16.50904 42.04380 30.53831 0.274 26.93803 H ? A ? 68 HH22 1
   ATOM 1761 N C ARG A 69 ? 9.07844 38.63155 29.97336 0.314 18.77818 N ? A ? 68 N 1
   ATOM 1762 CA C ARG A 69 ? 9.55434 39.19562 28.71247 0.314 17.22421 C ? A ? 68 CA 1
   ATOM 1763 C C ARG A 69 ? 8.73720 38.66083 27.53984 0.314 17.61387 C ? A ? 68 C 1
   ATOM 1764 O C ARG A 69 ? 8.35167 37.49297 27.51756 0.314 19.46580 O ? A ? 68 O 1
   ATOM 1765 CB C ARG A 69 ? 11.02656 38.88412 28.48092 0.314 18.39667 C ? A ? 68 CB 1
   ATOM 1766 CG C ARG A 69 ? 11.94314 39.56640 29.51031 0.314 21.22873 C ? A ? 68 CG 1
   ATOM 1767 CD C ARG A 69 ? 13.41457 39.56750 29.11731 0.314 24.79039 C ? A ? 68 CD 1
   ATOM 1768 NE C ARG A 69 ? 14.24350 40.43866 29.94485 0.314 26.18789 N ? A ? 68 NE 1
   ATOM 1769 CZ C ARG A 69 ? 15.35831 40.07077 30.58288 0.314 30.54557 C ? A ? 68 CZ 1
   ATOM 1770 NH1 C ARG A 69 ? 15.84314 38.84925 30.50322 0.314 23.07827 N ? A ? 68 NH1 1
   ATOM 1771 NH2 C ARG A 69 ? 15.98930 40.95769 31.34096 0.314 33.43678 N ? A ? 68 NH2 1
   ATOM 1772 H C ARG A 69 ? 9.62290 38.09220 30.36358 0.314 22.56497 H ? A ? 68 H 1
   ATOM 1773 HA C ARG A 69 ? 9.45108 40.15921 28.75410 0.314 20.70021 H ? A ? 68 HA 1
   ATOM 1774 HB2 C ARG A 69 ? 11.16126 37.92574 28.54620 0.314 22.10716 H ? A ? 68 HB2 1
   ATOM 1775 HB3 C ARG A 69 ? 11.28082 39.19550 27.59814 0.314 22.10716 H ? A ? 68 HB3 1
   ATOM 1776 HG2 C ARG A 69 ? 11.66450 40.48979 29.61331 0.314 25.50563 H ? A ? 68 HG2 1
   ATOM 1777 HG3 C ARG A 69 ? 11.86415 39.09962 30.35694 0.314 25.50563 H ? A ? 68 HG3 1
   ATOM 1778 HD2 C ARG A 69 ? 13.76059 38.66505 29.19945 0.314 29.77963 H ? A ? 68 HD2 1
   ATOM 1779 HD3 C ARG A 69 ? 13.49251 39.87040 28.19911 0.314 29.77963 H ? A ? 68 HD3 1
   ATOM 1780 HE C ARG A 69 ? 13.99337 41.25719 30.02875 0.314 31.45663 H ? A ? 68 HE 1
   ATOM 1781 HH11 C ARG A 69 ? 15.43972 38.25663 30.02818 0.314 27.72508 H ? A ? 68 HH11 1
   ATOM 1782 HH12 C ARG A 69 ? 16.56323 38.64399 30.92623 0.314 27.72508 H ? A ? 68 HH12 1
   ATOM 1783 HH21 C ARG A 69 ? 15.67980 41.75651 31.41637 0.314 40.15529 H ? A ? 68 HH21 1
   ATOM 1784 HH22 C ARG A 69 ? 16.70789 40.73389 31.75706 0.314 40.15529 H ? A ? 68 HH22 1
   ATOM 1785 N D ARG A 69 ? 9.05184 38.61066 29.96620 0.289 18.77763 N ? A ? 68 N 1
   ATOM 1786 CA D ARG A 69 ? 9.51709 39.18148 28.69347 0.289 17.20810 C ? A ? 68 CA 1
   ATOM 1787 C D ARG A 69 ? 8.67913 38.66164 27.55076 0.289 17.50392 C ? A ? 68 C 1
   ATOM 1788 O D ARG A 69 ? 8.21978 37.51106 27.56167 0.289 19.55364 O ? A ? 68 O 1
   ATOM 1789 CB D ARG A 69 ? 10.95768 38.80443 28.37842 0.289 17.96593 C ? A ? 68 CB 1
   ATOM 1790 CG D ARG A 69 ? 11.93262 39.49567 29.29426 0.289 20.38812 C ? A ? 68 CG 1
   ATOM 1791 CD D ARG A 69 ? 13.39088 39.22069 29.08319 0.289 25.72491 C ? A ? 68 CD 1
   ATOM 1792 NE D ARG A 69 ? 13.83844 39.54021 27.72228 0.289 21.82993 N ? A ? 68 NE 1
   ATOM 1793 CZ D ARG A 69 ? 15.09735 39.56570 27.31422 0.289 28.25012 C ? A ? 68 CZ 1
   ATOM 1794 NH1 D ARG A 69 ? 16.07914 39.08716 28.05394 0.289 31.24852 N ? A ? 68 NH1 1
   ATOM 1795 NH2 D ARG A 69 ? 15.36693 39.93887 26.06319 0.289 25.91357 N ? A ? 68 NH2 1
   ATOM 1796 H D ARG A 69 ? 9.46383 37.88907 30.18796 0.289 22.56431 H ? A ? 68 H 1
   ATOM 1797 HA D ARG A 69 ? 9.45354 40.14642 28.76939 0.289 20.68087 H ? A ? 68 HA 1
   ATOM 1798 HB2 D ARG A 69 ? 11.06722 37.84655 28.48507 0.289 21.59027 H ? A ? 68 HB2 1
   ATOM 1799 HB3 D ARG A 69 ? 11.16256 39.06223 27.46603 0.289 21.59027 H ? A ? 68 HB3 1
   ATOM 1800 HG2 D ARG A 69 ? 11.81102 40.45260 29.19227 0.289 24.49690 H ? A ? 68 HG2 1
   ATOM 1801 HG3 D ARG A 69 ? 11.72701 39.23025 30.20430 0.289 24.49690 H ? A ? 68 HG3 1
   ATOM 1802 HD2 D ARG A 69 ? 13.90717 39.75971 29.70270 0.289 30.90104 H ? A ? 68 HD2 1
   ATOM 1803 HD3 D ARG A 69 ? 13.56115 38.27892 29.24124 0.289 30.90104 H ? A ? 68 HD3 1
   ATOM 1804 HE D ARG A 69 ? 13.23208 39.72641 27.14154 0.289 26.22708 H ? A ? 68 HE 1
   ATOM 1805 HH11 D ARG A 69 ? 15.90971 38.74629 28.82511 0.289 37.52938 H ? A ? 68 HH11 1
   ATOM 1806 HH12 D ARG A 69 ? 16.88864 39.11604 27.76503 0.289 37.52938 H ? A ? 68 HH12 1
   ATOM 1807 HH21 D ARG A 69 ? 14.72682 40.15909 25.53275 0.289 31.12744 H ? A ? 68 HH21 1
   ATOM 1808 HH22 D ARG A 69 ? 16.18096 39.95940 25.78653 0.289 31.12744 H ? A ? 68 HH22 1
   ATOM 1809 N . PRO A 70 ? 8.49193 39.49646 26.51747 1.000 19.59710 N ? A ? 69 N 1
   ATOM 1810 CA . PRO A 70 ? 7.75884 39.03028 25.33968 1.000 17.64615 C ? A ? 69 CA 1
   ATOM 1811 C . PRO A 70 ? 8.30879 37.85565 24.61797 1.000 16.03951 C ? A ? 69 C 1
   ATOM 1812 O . PRO A 70 ? 7.62826 37.15930 23.94561 1.000 18.38912 O ? A ? 69 O 1
   ATOM 1813 CB . PRO A 70 ? 7.64092 40.31640 24.45339 1.000 19.65695 C ? A ? 69 CB 1
   ATOM 1814 CG . PRO A 70 ? 8.48393 41.20500 25.03612 1.000 27.02970 C ? A ? 69 CG 1
   ATOM 1815 CD . PRO A 70 ? 8.84844 40.94231 26.48209 1.000 23.96993 C ? A ? 69 CD 1
   ATOM 1816 HA . PRO A 70 ? 6.87001 38.76437 25.62284 1.000 21.20654 H ? A ? 69 HA 1
   ATOM 1817 HB2 . PRO A 70 ? 7.91456 40.11988 23.54378 1.000 23.61950 H ? A ? 69 HB2 1
   ATOM 1818 HB3 . PRO A 70 ? 6.72785 40.64369 24.46178 1.000 23.61950 H ? A ? 69 HB3 1
   ATOM 1819 HG2 . PRO A 70 ? 9.30046 41.20426 24.51250 1.000 32.46680 H ? A ? 69 HG2 1
   ATOM 1820 HG3 . PRO A 70 ? 8.05719 42.07452 24.98402 1.000 32.46680 H ? A ? 69 HG3 1
   ATOM 1821 HD2 . PRO A 70 ? 9.79119 41.09137 26.65500 1.000 28.79507 H ? A ? 69 HD2 1
   ATOM 1822 HD3 . PRO A 70 ? 8.31147 41.46703 27.09627 1.000 28.79507 H ? A ? 69 HD3 1
   ATOM 1823 N . GLU A 71 ? 9.59816 37.67546 24.77024 1.000 20.53181 N ? A ? 70 N 1
   ATOM 1824 CA . GLU A 71 ? 10.18952 36.50456 24.13489 1.000 19.99081 C ? A ? 70 CA 1
   ATOM 1825 C . GLU A 71 ? 9.73722 35.17456 24.67637 1.000 19.54870 C ? A ? 70 C 1
   ATOM 1826 O . GLU A 71 ? 9.83704 34.10686 23.97061 1.000 21.39308 O ? A ? 70 O 1
   ATOM 1827 H . GLU A 71 ? 10.13308 38.18415 25.21149 1.000 24.66932 H ? A ? 70 H 1
   ATOM 1828 HA . GLU A 71 ? 9.92111 36.51171 23.20280 1.000 24.02013 H ? A ? 70 HA 1
   ATOM 1829 CB A GLU A 71 ? 11.68054 36.63125 24.38307 0.514 23.86447 C ? A ? 70 CB 1
   ATOM 1830 CG A GLU A 71 ? 12.47555 37.84427 23.76381 0.514 28.68991 C ? A ? 70 CG 1
   ATOM 1831 CD A GLU A 71 ? 12.72680 39.09435 24.62768 0.514 33.04692 C ? A ? 70 CD 1
   ATOM 1832 OE1 A GLU A 71 ? 11.91239 39.57595 25.44573 0.514 24.01903 O ? A ? 70 OE1 1
   ATOM 1833 OE2 A GLU A 71 ? 13.74692 39.77866 24.38610 0.514 34.94254 O ? A ? 70 OE2 1
   ATOM 1834 HB2 A GLU A 71 ? 11.80963 36.68525 25.34292 0.514 28.66853 H ? A ? 70 HB2 1
   ATOM 1835 HB3 A GLU A 71 ? 12.09989 35.82813 24.03659 0.514 28.66853 H ? A ? 70 HB3 1
   ATOM 1836 HG2 A GLU A 71 ? 13.34909 37.51566 23.49954 0.514 34.45905 H ? A ? 70 HG2 1
   ATOM 1837 HG3 A GLU A 71 ? 11.98477 38.14642 22.98359 0.514 34.45905 H ? A ? 70 HG3 1
   ATOM 1838 CB B GLU A 71 ? 11.68030 36.60473 24.28151 0.486 23.75296 C ? A ? 70 CB 1
   ATOM 1839 CG B GLU A 71 ? 12.38598 37.74583 23.51953 0.486 29.98723 C ? A ? 70 CG 1
   ATOM 1840 CD B GLU A 71 ? 12.13949 39.13580 24.05652 0.486 29.61295 C ? A ? 70 CD 1
   ATOM 1841 OE1 B GLU A 71 ? 11.74105 39.23384 25.20210 0.486 23.40316 O ? A ? 70 OE1 1
   ATOM 1842 OE2 B GLU A 71 ? 12.42040 40.17408 23.38142 0.486 30.79998 O ? A ? 70 OE2 1
   ATOM 1843 HB2 B GLU A 71 ? 11.88037 36.72834 25.22257 0.486 28.53471 H ? A ? 70 HB2 1
   ATOM 1844 HB3 B GLU A 71 ? 12.06809 35.77336 23.96631 0.486 28.53471 H ? A ? 70 HB3 1
   ATOM 1845 HG2 B GLU A 71 ? 13.34272 37.58947 23.55277 0.486 36.01584 H ? A ? 70 HG2 1
   ATOM 1846 HG3 B GLU A 71 ? 12.07965 37.73386 22.59925 0.486 36.01584 H ? A ? 70 HG3 1
   ATOM 1847 N . ILE A 72 ? 9.10572 35.10690 25.85981 1.000 19.12395 N ? A ? 71 N 1
   ATOM 1848 CA . ILE A 72 ? 8.43208 33.89118 26.27162 1.000 17.82632 C ? A ? 71 CA 1
   ATOM 1849 C . ILE A 72 ? 7.50324 33.37918 25.19785 1.000 19.58803 C ? A ? 71 C 1
   ATOM 1850 O . ILE A 72 ? 7.31458 32.14659 24.95673 1.000 20.76998 O ? A ? 71 O 1
   ATOM 1851 CB . ILE A 72 ? 7.64900 34.15384 27.59643 1.000 17.04566 C ? A ? 71 CB 1
   ATOM 1852 CG1 . ILE A 72 ? 8.61769 34.42288 28.70628 1.000 17.44527 C ? A ? 71 CG1 1
   ATOM 1853 CG2 . ILE A 72 ? 6.60809 33.05585 27.87033 1.000 18.25536 C ? A ? 71 CG2 1
   ATOM 1854 CD1 . ILE A 72 ? 8.15638 34.82017 29.96534 1.000 18.60380 C ? A ? 71 CD1 1
   ATOM 1855 H . ILE A 72 ? 9.05930 35.75002 26.42889 1.000 22.97990 H ? A ? 71 H 1
   ATOM 1856 HA . ILE A 72 ? 9.10719 33.21110 26.42205 1.000 21.42274 H ? A ? 71 HA 1
   ATOM 1857 HB . ILE A 72 ? 7.11241 34.95759 27.51303 1.000 20.48595 H ? A ? 71 HB 1
   ATOM 1858 HG12 . ILE A 72 ? 9.12072 33.60626 28.85121 1.000 20.96548 H ? A ? 71 HG12 1
   ATOM 1859 HG13 . ILE A 72 ? 9.21057 35.12849 28.40379 1.000 20.96548 H ? A ? 71 HG13 1
   ATOM 1860 HG21 . ILE A 72 ? 6.28919 33.14341 28.78221 1.000 21.93759 H ? A ? 71 HG21 1
   ATOM 1861 HG22 . ILE A 72 ? 5.86939 33.15923 27.25021 1.000 21.93759 H ? A ? 71 HG22 1
   ATOM 1862 HG23 . ILE A 72 ? 7.02430 32.18836 27.74733 1.000 21.93759 H ? A ? 71 HG23 1
   ATOM 1863 HD11 . ILE A 72 ? 8.70041 35.55790 30.28266 1.000 22.35571 H ? A ? 71 HD11 1
   ATOM 1864 HD12 . ILE A 72 ? 7.23100 35.10069 29.88855 1.000 22.35571 H ? A ? 71 HD12 1
   ATOM 1865 HD13 . ILE A 72 ? 8.22522 34.07108 30.57772 1.000 22.35571 H ? A ? 71 HD13 1
   ATOM 1866 N A TRP A 73 ? 6.82280 34.32055 24.49340 0.495 20.89054 N ? A ? 72 N 1
   ATOM 1867 CA A TRP A 73 ? 5.84914 33.93241 23.48560 0.495 19.23887 C ? A ? 72 CA 1
   ATOM 1868 C A TRP A 73 ? 6.41059 33.84625 22.08009 0.495 19.07981 C ? A ? 72 C 1
   ATOM 1869 O A TRP A 73 ? 5.94430 33.00022 21.28006 0.495 24.27376 O ? A ? 72 O 1
   ATOM 1870 CB A TRP A 73 ? 4.63890 34.89566 23.44827 0.495 20.57490 C ? A ? 72 CB 1
   ATOM 1871 CG A TRP A 73 ? 3.73961 34.74175 24.64757 0.495 16.42065 C ? A ? 72 CG 1
   ATOM 1872 CD1 A TRP A 73 ? 2.56828 34.06051 24.75493 0.495 17.97874 C ? A ? 72 CD1 1
   ATOM 1873 CD2 A TRP A 73 ? 3.93430 35.44297 25.88823 0.495 15.92664 C ? A ? 72 CD2 1
   ATOM 1874 NE1 A TRP A 73 ? 2.05153 34.25223 26.00761 0.495 19.93311 N ? A ? 72 NE1 1
   ATOM 1875 CE2 A TRP A 73 ? 2.91169 35.02963 26.73576 0.495 16.39767 C ? A ? 72 CE2 1
   ATOM 1876 CE3 A TRP A 73 ? 4.91462 36.30552 26.39928 0.495 16.08564 C ? A ? 72 CE3 1
   ATOM 1877 CZ2 A TRP A 73 ? 2.79012 35.49641 28.01457 0.495 15.09526 C ? A ? 72 CZ2 1
   ATOM 1878 CZ3 A TRP A 73 ? 4.77562 36.77631 27.67984 0.495 16.45701 C ? A ? 72 CZ3 1
   ATOM 1879 CH2 A TRP A 73 ? 3.71056 36.36167 28.49265 0.495 15.06765 C ? A ? 72 CH2 1
   ATOM 1880 H A TRP A 73 ? 6.91782 35.16962 24.59164 0.495 25.09980 H ? A ? 72 H 1
   ATOM 1881 HA A TRP A 73 ? 5.54112 33.05245 23.75337 0.495 23.11780 H ? A ? 72 HA 1
   ATOM 1882 HB2 A TRP A 73 ? 4.96252 35.80990 23.43010 0.495 24.72103 H ? A ? 72 HB2 1
   ATOM 1883 HB3 A TRP A 73 ? 4.11398 34.71367 22.65314 0.495 24.72103 H ? A ? 72 HB3 1
   ATOM 1884 HD1 A TRP A 73 ? 2.18005 33.54629 24.08429 0.495 21.60565 H ? A ? 72 HD1 1
   ATOM 1885 HE1 A TRP A 73 ? 1.30474 33.93466 26.29231 0.495 23.95089 H ? A ? 72 HE1 1
   ATOM 1886 HE3 A TRP A 73 ? 5.64505 36.55358 25.87981 0.495 19.33393 H ? A ? 72 HE3 1
   ATOM 1887 HZ2 A TRP A 73 ? 2.08118 35.22119 28.54988 0.495 18.14547 H ? A ? 72 HZ2 1
   ATOM 1888 HZ3 A TRP A 73 ? 5.39806 37.38066 28.01485 0.495 19.77957 H ? A ? 72 HZ3 1
   ATOM 1889 HH2 A TRP A 73 ? 3.63792 36.68304 29.36233 0.495 18.11234 H ? A ? 72 HH2 1
   ATOM 1890 N B TRP A 73 ? 6.84827 34.31869 24.48489 0.505 21.14886 N ? A ? 72 N 1
   ATOM 1891 CA B TRP A 73 ? 5.85937 33.97075 23.49290 0.505 19.20343 C ? A ? 72 CA 1
   ATOM 1892 C B TRP A 73 ? 6.40400 33.88430 22.08319 0.505 18.86493 C ? A ? 72 C 1
   ATOM 1893 O B TRP A 73 ? 5.92722 33.05717 21.28079 0.505 25.04566 O ? A ? 72 O 1
   ATOM 1894 CB B TRP A 73 ? 4.73572 35.03504 23.53162 0.505 21.02037 C ? A ? 72 CB 1
   ATOM 1895 CG B TRP A 73 ? 3.93256 34.94527 24.83454 0.505 20.00999 C ? A ? 72 CG 1
   ATOM 1896 CD1 B TRP A 73 ? 2.84114 34.17645 25.06113 0.505 24.24881 C ? A ? 72 CD1 1
   ATOM 1897 CD2 B TRP A 73 ? 4.21342 35.65677 26.07126 0.505 15.14082 C ? A ? 72 CD2 1
   ATOM 1898 NE1 B TRP A 73 ? 2.36406 34.39931 26.34491 0.505 22.51594 N ? A ? 72 NE1 1
   ATOM 1899 CE2 B TRP A 73 ? 3.22689 35.24705 26.99439 0.505 18.18626 C ? A ? 72 CE2 1
   ATOM 1900 CE3 B TRP A 73 ? 5.16087 36.59357 26.49605 0.505 16.28519 C ? A ? 72 CE3 1
   ATOM 1901 CZ2 B TRP A 73 ? 3.19843 35.71201 28.28827 0.505 16.68829 C ? A ? 72 CZ2 1
   ATOM 1902 CZ3 B TRP A 73 ? 5.09138 37.07905 27.77794 0.505 17.39009 C ? A ? 72 CZ3 1
   ATOM 1903 CH2 B TRP A 73 ? 4.11587 36.64847 28.65858 0.505 17.64503 C ? A ? 72 CH2 1
   ATOM 1904 H B TRP A 73 ? 6.97284 35.16520 24.57146 0.505 25.40978 H ? A ? 72 H 1
   ATOM 1905 HA B TRP A 73 ? 5.48876 33.09886 23.70110 0.505 23.07528 H ? A ? 72 HA 1
   ATOM 1906 HB2 B TRP A 73 ? 5.12850 35.92005 23.47355 0.505 25.25560 H ? A ? 72 HB2 1
   ATOM 1907 HB3 B TRP A 73 ? 4.13040 34.89124 22.78742 0.505 25.25560 H ? A ? 72 HB3 1
   ATOM 1908 HD1 B TRP A 73 ? 2.46681 33.58652 24.44732 0.505 29.12973 H ? A ? 72 HD1 1
   ATOM 1909 HE1 B TRP A 73 ? 1.64666 34.06221 26.67853 0.505 27.05028 H ? A ? 72 HE1 1
   ATOM 1910 HE3 B TRP A 73 ? 5.82897 36.88367 25.91778 0.505 19.57338 H ? A ? 72 HE3 1
   ATOM 1911 HZ2 B TRP A 73 ? 2.56887 35.39521 28.89505 0.505 20.05710 H ? A ? 72 HZ2 1
   ATOM 1912 HZ3 B TRP A 73 ? 5.71306 37.71053 28.06013 0.505 20.89926 H ? A ? 72 HZ3 1
   ATOM 1913 HH2 B TRP A 73 ? 4.08570 37.00394 29.51744 0.505 21.20519 H ? A ? 72 HH2 1
   ATOM 1914 N . SER A 74 ? 7.34246 34.70848 21.75707 1.000 18.92592 N ? A ? 73 N 1
   ATOM 1915 CA . SER A 74 ? 7.89351 34.65940 20.40807 1.000 21.38197 C ? A ? 73 CA 1
   ATOM 1916 C . SER A 74 ? 8.91652 33.57890 20.26421 1.000 23.82773 C ? A ? 73 C 1
   ATOM 1917 O . SER A 74 ? 9.14173 33.13113 19.15789 1.000 26.79272 O ? A ? 73 O 1
   ATOM 1918 CB . SER A 74 ? 8.47625 35.98654 19.94391 1.000 22.38388 C ? A ? 73 CB 1
   ATOM 1919 OG . SER A 74 ? 9.45887 36.45257 20.79159 1.000 23.06502 O ? A ? 73 OG 1
   ATOM 1920 HA . SER A 74 ? 7.15316 34.48673 19.80560 1.000 25.68952 H ? A ? 73 HA 1
   ATOM 1921 HB2 . SER A 74 ? 8.86055 35.86446 19.06169 1.000 26.89181 H ? A ? 73 HB2 1
   ATOM 1922 HB3 . SER A 74 ? 7.76243 36.64228 19.90699 1.000 26.89181 H ? A ? 73 HB3 1
   ATOM 1923 HG . SER A 74 ? 9.72656 37.20608 20.53435 1.000 27.70918 H ? A ? 73 HG 1
   ATOM 1924 H A SER A 74 ? 7.66752 35.31348 22.27467 0.495 22.74226 H ? A ? 73 H 1
   ATOM 1925 H B SER A 74 ? 7.68525 35.30303 22.27534 0.505 22.74226 H ? A ? 73 H 1
   ATOM 1926 N A ASP A 75 ? 9.58065 33.16258 21.36383 0.000 23.08109 N ? A ? 74 N 1
   ATOM 1927 CA A ASP A 75 ? 10.47140 32.01040 21.36591 0.000 24.27911 C ? A ? 74 CA 1
   ATOM 1928 C A ASP A 75 ? 9.88612 30.89269 22.22732 0.000 23.81352 C ? A ? 74 C 1
   ATOM 1929 O A ASP A 75 ? 10.48779 30.50453 23.24205 0.000 24.11791 O ? A ? 74 O 1
   ATOM 1930 CB A ASP A 75 ? 11.86336 32.43358 21.85915 0.000 24.53950 C ? A ? 74 CB 1
   ATOM 1931 CG A ASP A 75 ? 12.52756 33.43524 20.92996 0.000 27.57522 C ? A ? 74 CG 1
   ATOM 1932 OD1 A ASP A 75 ? 12.21062 33.41547 19.72109 0.000 29.68320 O ? A ? 74 OD1 1
   ATOM 1933 OD2 A ASP A 75 ? 13.34898 34.24969 21.39928 0.000 28.29706 O ? A ? 74 OD2 1
   ATOM 1934 H A ASP A 75 ? 9.52299 33.54660 22.13116 0.000 27.72847 H ? A ? 74 H 1
   ATOM 1935 HA A ASP A 75 ? 10.57256 31.66061 20.46685 0.000 29.16609 H ? A ? 74 HA 1
   ATOM 1936 HB2 A ASP A 75 ? 11.77887 32.84406 22.73394 0.000 29.47856 H ? A ? 74 HB2 1
   ATOM 1937 HB3 A ASP A 75 ? 12.43246 31.64998 21.91393 0.000 29.47856 H ? A ? 74 HB3 1
   ATOM 1938 N B ASP A 75 ? 9.57044 33.14288 21.39122 1.000 21.18564 N ? A ? 74 N 1
   ATOM 1939 CA B ASP A 75 ? 10.48415 32.00205 21.37204 1.000 24.00720 C ? A ? 74 CA 1
   ATOM 1940 C B ASP A 75 ? 9.87634 30.87561 22.21045 1.000 23.03511 C ? A ? 74 C 1
   ATOM 1941 O B ASP A 75 ? 10.50793 30.40939 23.20215 1.000 23.98694 O ? A ? 74 O 1
   ATOM 1942 CB B ASP A 75 ? 11.80718 32.49019 21.94276 1.000 23.42398 C ? A ? 74 CB 1
   ATOM 1943 CG B ASP A 75 ? 12.47784 33.51940 21.10162 1.000 25.68119 C ? A ? 74 CG 1
   ATOM 1944 OD1 B ASP A 75 ? 12.19136 33.59663 19.87160 1.000 30.72103 O ? A ? 74 OD1 1
   ATOM 1945 OD2 B ASP A 75 ? 13.24492 34.26191 21.75513 1.000 28.91409 O ? A ? 74 OD2 1
   ATOM 1946 H B ASP A 75 ? 9.48734 33.50476 22.16694 1.000 25.45392 H ? A ? 74 H 1
   ATOM 1947 HA B ASP A 75 ? 10.63950 31.64717 20.48276 1.000 28.83980 H ? A ? 74 HA 1
   ATOM 1948 HB2 B ASP A 75 ? 11.64584 32.88070 22.81589 1.000 28.13993 H ? A ? 74 HB2 1
   ATOM 1949 HB3 B ASP A 75 ? 12.41042 31.73488 22.02348 1.000 28.13993 H ? A ? 74 HB3 1
   ATOM 1950 N . ALA A 76 ? 8.71674 30.38059 21.83346 1.000 27.00100 N ? A ? 75 N 1
   ATOM 1951 CA . ALA A 76 ? 7.96275 29.45747 22.70576 1.000 23.84592 C ? A ? 75 CA 1
   ATOM 1952 C . ALA A 76 ? 8.76224 28.17488 22.95542 1.000 31.11650 C ? A ? 75 C 1
   ATOM 1953 O . ALA A 76 ? 8.77633 27.64540 24.06915 1.000 24.16701 O ? A ? 75 O 1
   ATOM 1954 CB . ALA A 76 ? 6.59809 29.18423 22.14116 1.000 26.77407 C ? A ? 75 CB 1
   ATOM 1955 HA . ALA A 76 ? 7.81422 29.87758 23.56736 1.000 28.64626 H ? A ? 75 HA 1
   ATOM 1956 HB1 . ALA A 76 ? 6.14718 28.53608 22.70462 1.000 32.16004 H ? A ? 75 HB1 1
   ATOM 1957 HB2 . ALA A 76 ? 6.09334 30.01229 22.12033 1.000 32.16004 H ? A ? 75 HB2 1
   ATOM 1958 HB3 . ALA A 76 ? 6.69292 28.83195 21.24238 1.000 32.16004 H ? A ? 75 HB3 1
   ATOM 1959 H A ALA A 76 ? 8.33820 30.54492 21.07894 0.000 32.43236 H ? A ? 75 H 1
   ATOM 1960 H B ALA A 76 ? 8.33151 30.55205 21.08393 1.000 32.43236 H ? A ? 75 H 1
   ATOM 1961 N A ALA A 77 ? 9.46669 27.66661 21.94493 0.321 26.08288 N ? A ? 76 N 1
   ATOM 1962 CA A ALA A 77 ? 10.19790 26.40634 22.13122 0.321 27.54239 C ? A ? 76 CA 1
   ATOM 1963 C A ALA A 77 ? 11.39520 26.58053 23.05946 0.321 27.39092 C ? A ? 76 C 1
   ATOM 1964 O A ALA A 77 ? 11.73869 25.69367 23.85856 0.321 24.63422 O ? A ? 76 O 1
   ATOM 1965 CB A ALA A 77 ? 10.63610 25.86159 20.76656 0.321 34.71216 C ? A ? 76 CB 1
   ATOM 1966 H A ALA A 77 ? 9.53820 28.01788 21.16321 0.321 31.33061 H ? A ? 76 H 1
   ATOM 1967 HA A ALA A 77 ? 9.60686 25.75669 22.54296 0.321 33.08202 H ? A ? 76 HA 1
   ATOM 1968 HB1 A ALA A 77 ? 11.11725 25.02971 20.89830 0.321 41.68575 H ? A ? 76 HB1 1
   ATOM 1969 HB2 A ALA A 77 ? 9.84917 25.70578 20.22124 0.321 41.68575 H ? A ? 76 HB2 1
   ATOM 1970 HB3 A ALA A 77 ? 11.21262 26.51271 20.33694 0.321 41.68575 H ? A ? 76 HB3 1
   ATOM 1971 N B ALA A 77 ? 9.47697 27.69259 21.93837 0.426 25.89631 N ? A ? 76 N 1
   ATOM 1972 CA B ALA A 77 ? 10.12786 26.39240 22.05832 0.426 27.69359 C ? A ? 76 CA 1
   ATOM 1973 C B ALA A 77 ? 11.24340 26.46100 23.05716 0.426 27.33570 C ? A ? 76 C 1
   ATOM 1974 O B ALA A 77 ? 11.39573 25.57260 23.90835 0.426 26.67195 O ? A ? 76 O 1
   ATOM 1975 CB B ALA A 77 ? 10.70437 25.94327 20.71095 0.426 34.82425 C ? A ? 76 CB 1
   ATOM 1976 H B ALA A 77 ? 9.59723 28.09030 21.18540 0.426 31.10673 H ? A ? 76 H 1
   ATOM 1977 HA B ALA A 77 ? 9.46154 25.74655 22.34080 0.426 33.26347 H ? A ? 76 HA 1
   ATOM 1978 HB1 B ALA A 77 ? 11.15164 25.09045 20.82734 0.426 41.82025 H ? A ? 76 HB1 1
   ATOM 1979 HB2 B ALA A 77 ? 9.98015 25.85248 20.07208 0.426 41.82025 H ? A ? 76 HB2 1
   ATOM 1980 HB3 B ALA A 77 ? 11.33765 26.60927 20.40065 0.426 41.82025 H ? A ? 76 HB3 1
   ATOM 1981 N C ALA A 77 ? 9.45776 27.69476 21.92367 0.253 26.11538 N ? A ? 76 N 1
   ATOM 1982 CA C ALA A 77 ? 10.16238 26.41974 22.03342 0.253 27.79269 C ? A ? 76 CA 1
   ATOM 1983 C C ALA A 77 ? 11.28291 26.50642 23.04763 0.253 27.30297 C ? A ? 76 C 1
   ATOM 1984 O C ALA A 77 ? 11.46279 25.60989 23.88280 0.253 26.47257 O ? A ? 76 O 1
   ATOM 1985 CB C ALA A 77 ? 10.72580 26.01571 20.66847 0.253 34.58238 C ? A ? 76 CB 1
   ATOM 1986 H C ALA A 77 ? 9.53625 28.08246 21.16004 0.253 31.36961 H ? A ? 76 H 1
   ATOM 1987 HA C ALA A 77 ? 9.53291 25.74078 22.32269 0.253 33.38239 H ? A ? 76 HA 1
   ATOM 1988 HB1 C ALA A 77 ? 11.20378 25.17662 20.75994 0.253 41.53001 H ? A ? 76 HB1 1
   ATOM 1989 HB2 C ALA A 77 ? 9.99235 25.91202 20.04221 0.253 41.53001 H ? A ? 76 HB2 1
   ATOM 1990 HB3 C ALA A 77 ? 11.32993 26.70845 20.35858 0.253 41.53001 H ? A ? 76 HB3 1
   ATOM 1991 N A SER A 78 ? 12.08164 27.68717 22.97895 0.321 24.90302 N ? A ? 77 N 1
   ATOM 1992 CA A SER A 78 ? 13.19346 27.91563 23.88593 0.321 27.44760 C ? A ? 77 CA 1
   ATOM 1993 C A SER A 78 ? 12.76370 28.18599 25.33288 0.321 26.29371 C ? A ? 77 C 1
   ATOM 1994 O A SER A 78 ? 13.55288 27.93047 26.27247 0.321 14.52466 O ? A ? 77 O 1
   ATOM 1995 CB A SER A 78 ? 13.91477 29.13382 23.37774 0.321 29.32775 C ? A ? 77 CB 1
   ATOM 1996 OG A SER A 78 ? 14.42685 28.88719 22.07027 0.321 41.06780 O ? A ? 77 OG 1
   ATOM 1997 H A SER A 78 ? 11.93390 28.32160 22.41746 0.321 29.91478 H ? A ? 77 H 1
   ATOM 1998 HA A SER A 78 ? 13.76437 27.13160 23.90197 0.321 32.96828 H ? A ? 77 HA 1
   ATOM 1999 HB2 A SER A 78 ? 13.29571 29.87975 23.34255 0.321 35.22446 H ? A ? 77 HB2 1
   ATOM 2000 HB3 A SER A 78 ? 14.65059 29.34124 23.97477 0.321 35.22446 H ? A ? 77 HB3 1
   ATOM 2001 HG A SER A 78 ? 13.84173 28.51199 21.59861 0.321 49.31252 H ? A ? 77 HG 1
   ATOM 2002 N B SER A 78 ? 12.07887 27.46380 22.93967 0.426 23.61954 N ? A ? 77 N 1
   ATOM 2003 CA B SER A 78 ? 13.11215 27.66083 23.91212 0.426 26.81622 C ? A ? 77 CA 1
   ATOM 2004 C B SER A 78 ? 12.52821 27.77606 25.30584 0.426 26.96826 C ? A ? 77 C 1
   ATOM 2005 O B SER A 78 ? 13.03063 27.15517 26.23462 0.426 19.21814 O ? A ? 77 O 1
   ATOM 2006 CB B SER A 78 ? 13.85113 28.93998 23.57263 0.426 27.22985 C ? A ? 77 CB 1
   ATOM 2007 OG B SER A 78 ? 14.55898 28.81615 22.33572 0.426 41.64849 O ? A ? 77 OG 1
   ATOM 2008 H B SER A 78 ? 12.06709 28.04376 22.30475 0.426 28.37461 H ? A ? 77 H 1
   ATOM 2009 HA B SER A 78 ? 13.72295 26.90753 23.89314 0.426 32.21062 H ? A ? 77 HA 1
   ATOM 2010 HB2 B SER A 78 ? 13.20907 29.66305 23.49627 0.426 32.70697 H ? A ? 77 HB2 1
   ATOM 2011 HB3 B SER A 78 ? 14.48600 29.13337 24.28005 0.426 32.70697 H ? A ? 77 HB3 1
   ATOM 2012 HG B SER A 78 ? 14.02936 28.59446 21.72256 0.426 50.00934 H ? A ? 77 HG 1
   ATOM 2013 N C SER A 78 ? 12.07537 27.55912 22.98199 0.253 24.46715 N ? A ? 77 N 1
   ATOM 2014 CA C SER A 78 ? 13.15013 27.72896 23.93841 0.253 27.14986 C ? A ? 77 CA 1
   ATOM 2015 C C SER A 78 ? 12.63356 27.88992 25.36796 0.253 26.48401 C ? A ? 77 C 1
   ATOM 2016 O C SER A 78 ? 13.25748 27.40044 26.31921 0.253 21.93598 O ? A ? 77 O 1
   ATOM 2017 CB C SER A 78 ? 13.93560 28.97263 23.55570 0.253 28.10971 C ? A ? 77 CB 1
   ATOM 2018 OG C SER A 78 ? 14.57481 28.82365 22.29143 0.253 41.61341 O ? A ? 77 OG 1
   ATOM 2019 H C SER A 78 ? 12.01353 28.18670 22.39725 0.253 29.39173 H ? A ? 77 H 1
   ATOM 2020 HA C SER A 78 ? 13.71686 26.94213 23.91363 0.253 32.61099 H ? A ? 77 HA 1
   ATOM 2021 HB2 C SER A 78 ? 13.32574 29.72558 23.51053 0.253 33.76280 H ? A ? 77 HB2 1
   ATOM 2022 HB3 C SER A 78 ? 14.61291 29.13434 24.23098 0.253 33.76280 H ? A ? 77 HB3 1
   ATOM 2023 HG C SER A 78 ? 14.00276 28.66461 21.69724 0.253 49.96725 H ? A ? 77 HG 1
   ATOM 2024 N A PHE A 79 ? 11.53265 28.69656 25.52443 0.321 24.01417 N ? A ? 78 N 1
   ATOM 2025 CA A PHE A 79 ? 10.95588 28.82547 26.85892 0.321 20.55789 C ? A ? 78 CA 1
   ATOM 2026 C A PHE A 79 ? 10.54436 27.47636 27.39285 0.321 19.92844 C ? A ? 78 C 1
   ATOM 2027 O A PHE A 79 ? 10.83250 27.17201 28.55905 0.321 20.73982 O ? A ? 78 O 1
   ATOM 2028 CB A PHE A 79 ? 9.70985 29.71666 26.82040 0.321 17.17574 C ? A ? 78 CB 1
   ATOM 2029 CG A PHE A 79 ? 9.12754 30.02179 28.19105 0.321 17.03651 C ? A ? 78 CG 1
   ATOM 2030 CD1 A PHE A 79 ? 9.80087 30.84446 29.09608 0.321 14.57628 C ? A ? 78 CD1 1
   ATOM 2031 CD2 A PHE A 79 ? 7.94289 29.45515 28.57532 0.321 18.79589 C ? A ? 78 CD2 1
   ATOM 2032 CE1 A PHE A 79 ? 9.28500 31.11823 30.35586 0.321 17.33669 C ? A ? 78 CE1 1
   ATOM 2033 CE2 A PHE A 79 ? 7.39181 29.75839 29.81864 0.321 18.34353 C ? A ? 78 CE2 1
   ATOM 2034 CZ A PHE A 79 ? 8.06659 30.59171 30.71565 0.321 17.62218 C ? A ? 78 CZ 1
   ATOM 2035 H A PHE A 79 ? 11.01742 28.97323 24.89388 0.321 28.84816 H ? A ? 78 H 1
   ATOM 2036 HA A PHE A 79 ? 11.61943 29.23107 27.43865 0.321 24.70063 H ? A ? 78 HA 1
   ATOM 2037 HB2 A PHE A 79 ? 9.94388 30.56105 26.40430 0.321 20.64205 H ? A ? 78 HB2 1
   ATOM 2038 HB3 A PHE A 79 ? 9.02348 29.26971 26.30075 0.321 20.64205 H ? A ? 78 HB3 1
   ATOM 2039 HD1 A PHE A 79 ? 10.61562 31.21860 28.84891 0.321 17.52269 H ? A ? 78 HD1 1
   ATOM 2040 HD2 A PHE A 79 ? 7.50424 28.86589 28.00501 0.321 22.58622 H ? A ? 78 HD2 1
   ATOM 2041 HE1 A PHE A 79 ? 9.75922 31.65289 30.95097 0.321 20.83519 H ? A ? 78 HE1 1
   ATOM 2042 HE2 A PHE A 79 ? 6.56565 29.40237 30.05445 0.321 22.04339 H ? A ? 78 HE2 1
   ATOM 2043 HZ A PHE A 79 ? 7.69594 30.78766 31.54578 0.321 21.17777 H ? A ? 78 HZ 1
   ATOM 2044 N B PHE A 79 ? 11.50659 28.64417 25.49149 0.426 23.83248 N ? A ? 78 N 1
   ATOM 2045 CA B PHE A 79 ? 10.94361 28.79894 26.83050 0.426 20.51862 C ? A ? 78 CA 1
   ATOM 2046 C B PHE A 79 ? 10.53817 27.46633 27.38208 0.426 19.68995 C ? A ? 78 C 1
   ATOM 2047 O B PHE A 79 ? 10.81597 27.16517 28.55628 0.426 20.78495 O ? A ? 78 O 1
   ATOM 2048 CB B PHE A 79 ? 9.68607 29.66464 26.78270 0.426 16.87378 C ? A ? 78 CB 1
   ATOM 2049 CG B PHE A 79 ? 9.11505 29.99111 28.13864 0.426 17.26179 C ? A ? 78 CG 1
   ATOM 2050 CD1 B PHE A 79 ? 9.79910 30.80284 29.03260 0.426 14.39855 C ? A ? 78 CD1 1
   ATOM 2051 CD2 B PHE A 79 ? 7.95999 29.42527 28.51619 0.426 18.34654 C ? A ? 78 CD2 1
   ATOM 2052 CE1 B PHE A 79 ? 9.28913 31.10893 30.29559 0.426 17.36763 C ? A ? 78 CE1 1
   ATOM 2053 CE2 B PHE A 79 ? 7.39436 29.74811 29.73598 0.426 18.38703 C ? A ? 78 CE2 1
   ATOM 2054 CZ B PHE A 79 ? 8.05910 30.59744 30.65140 0.426 17.62164 C ? A ? 78 CZ 1
   ATOM 2055 H B PHE A 79 ? 11.14507 29.12863 24.87977 0.426 28.63013 H ? A ? 78 H 1
   ATOM 2056 HA B PHE A 79 ? 11.61409 29.21988 27.39101 0.426 24.65350 H ? A ? 78 HA 1
   ATOM 2057 HB2 B PHE A 79 ? 9.90173 30.50238 26.34387 0.426 20.27969 H ? A ? 78 HB2 1
   ATOM 2058 HB3 B PHE A 79 ? 9.00297 29.19332 26.28057 0.426 20.27969 H ? A ? 78 HB3 1
   ATOM 2059 HD1 B PHE A 79 ? 10.62313 31.15394 28.78243 0.426 17.30942 H ? A ? 78 HD1 1
   ATOM 2060 HD2 B PHE A 79 ? 7.53805 28.81411 27.95641 0.426 22.04700 H ? A ? 78 HD2 1
   ATOM 2061 HE1 B PHE A 79 ? 9.76861 31.64613 30.88417 0.426 20.87231 H ? A ? 78 HE1 1
   ATOM 2062 HE2 B PHE A 79 ? 6.56112 29.40030 29.95878 0.426 22.09559 H ? A ? 78 HE2 1
   ATOM 2063 HZ B PHE A 79 ? 7.67597 30.80565 31.47283 0.426 21.17713 H ? A ? 78 HZ 1
   ATOM 2064 N C PHE A 79 ? 11.54337 28.65423 25.56114 0.253 24.09725 N ? A ? 78 N 1
   ATOM 2065 CA C PHE A 79 ? 11.00741 28.79551 26.91980 0.253 20.51656 C ? A ? 78 CA 1
   ATOM 2066 C C PHE A 79 ? 10.47198 27.45913 27.42894 0.253 20.07094 C ? A ? 78 C 1
   ATOM 2067 O C PHE A 79 ? 10.64865 27.10567 28.60414 0.253 20.33387 O ? A ? 78 O 1
   ATOM 2068 CB C PHE A 79 ? 9.98304 29.93940 26.95635 0.253 16.46339 C ? A ? 78 CB 1
   ATOM 2069 CG C PHE A 79 ? 9.47737 30.25774 28.32272 0.253 13.88251 C ? A ? 78 CG 1
   ATOM 2070 CD1 C PHE A 79 ? 10.19182 31.07418 29.13821 0.253 17.13749 C ? A ? 78 CD1 1
   ATOM 2071 CD2 C PHE A 79 ? 8.29807 29.72174 28.78185 0.253 18.30001 C ? A ? 78 CD2 1
   ATOM 2072 CE1 C PHE A 79 ? 9.83832 31.31338 30.32130 0.253 13.19971 C ? A ? 78 CE1 1
   ATOM 2073 CE2 C PHE A 79 ? 7.83677 30.08471 30.05114 0.253 19.19049 C ? A ? 78 CE2 1
   ATOM 2074 CZ C PHE A 79 ? 8.63064 30.92998 30.80819 0.253 13.03681 C ? A ? 78 CZ 1
   ATOM 2075 H C PHE A 79 ? 11.11689 29.08096 24.94826 0.253 28.94786 H ? A ? 78 H 1
   ATOM 2076 HA C PHE A 79 ? 11.70573 29.05415 27.54138 0.253 24.65103 H ? A ? 78 HA 1
   ATOM 2077 HB2 C PHE A 79 ? 10.39902 30.74070 26.60167 0.253 19.78723 H ? A ? 78 HB2 1
   ATOM 2078 HB3 C PHE A 79 ? 9.22077 29.69169 26.41002 0.253 19.78723 H ? A ? 78 HB3 1
   ATOM 2079 HD1 C PHE A 79 ? 10.96773 31.46947 28.81169 0.253 20.59615 H ? A ? 78 HD1 1
   ATOM 2080 HD2 C PHE A 79 ? 7.81402 29.12649 28.25623 0.253 21.99117 H ? A ? 78 HD2 1
   ATOM 2081 HE1 C PHE A 79 ? 10.42448 31.76856 30.88177 0.253 15.87081 H ? A ? 78 HE1 1
   ATOM 2082 HE2 C PHE A 79 ? 7.02443 29.76917 30.37584 0.253 23.05974 H ? A ? 78 HE2 1
   ATOM 2083 HZ C PHE A 79 ? 8.34029 31.23086 31.63889 0.253 15.67532 H ? A ? 78 HZ 1
   ATOM 2084 N . LYS A 80 ? 9.87124 26.67445 26.57350 1.000 22.01158 N ? A ? 79 N 1
   ATOM 2085 CA . LYS A 80 ? 9.42636 25.34785 26.98821 1.000 24.03776 C ? A ? 79 CA 1
   ATOM 2086 C . LYS A 80 ? 10.59531 24.48510 27.37339 1.000 24.77493 C ? A ? 79 C 1
   ATOM 2087 O . LYS A 80 ? 10.46681 23.73177 28.34274 1.000 20.97002 O ? A ? 79 O 1
   ATOM 2088 CB . LYS A 80 ? 8.57294 24.69899 25.93757 1.000 24.92901 C ? A ? 79 CB 1
   ATOM 2089 CG . LYS A 80 ? 8.10265 23.28971 26.34961 1.000 25.41039 C ? A ? 79 CG 1
   ATOM 2090 CD . LYS A 80 ? 6.99094 22.87679 25.37978 1.000 44.84357 C ? A ? 79 CD 1
   ATOM 2091 CE . LYS A 80 ? 6.39472 21.51356 25.78790 1.000 59.33408 C ? A ? 79 CE 1
   ATOM 2092 NZ . LYS A 80 ? 5.42351 20.99047 24.74616 1.000 61.66298 N ? A ? 79 NZ 1
   ATOM 2093 HA . LYS A 80 ? 8.85615 25.44037 27.76743 1.000 28.87647 H ? A ? 79 HA 1
   ATOM 2094 HB2 . LYS A 80 ? 7.78710 25.24673 25.78482 1.000 29.94596 H ? A ? 79 HB2 1
   ATOM 2095 HB3 . LYS A 80 ? 9.08561 24.61846 25.11807 1.000 29.94596 H ? A ? 79 HB3 1
   ATOM 2096 HG2 . LYS A 80 ? 8.83604 22.65800 26.28657 1.000 30.52362 H ? A ? 79 HG2 1
   ATOM 2097 HG3 . LYS A 80 ? 7.75258 23.30245 27.25415 1.000 30.52362 H ? A ? 79 HG3 1
   ATOM 2098 HD2 . LYS A 80 ? 6.28350 23.54027 25.39501 1.000 53.84344 H ? A ? 79 HD2 1
   ATOM 2099 HD3 . LYS A 80 ? 7.35384 22.79928 24.48357 1.000 53.84344 H ? A ? 79 HD3 1
   ATOM 2100 HE2 . LYS A 80 ? 7.11135 20.86741 25.88706 1.000 71.23205 H ? A ? 79 HE2 1
   ATOM 2101 HE3 . LYS A 80 ? 5.91746 21.61100 26.62673 1.000 71.23205 H ? A ? 79 HE3 1
   ATOM 2102 HZ1 . LYS A 80 ? 5.11560 20.19207 24.99078 1.000 74.02673 H ? A ? 79 HZ1 1
   ATOM 2103 HZ2 . LYS A 80 ? 4.73743 21.55095 24.66101 1.000 74.02673 H ? A ? 79 HZ2 1
   ATOM 2104 HZ3 . LYS A 80 ? 5.83298 20.91357 23.95969 1.000 74.02673 H ? A ? 79 HZ3 1
   ATOM 2105 H A LYS A 80 ? 9.65679 26.87493 25.76516 0.321 26.44506 H ? A ? 79 H 1
   ATOM 2106 H B LYS A 80 ? 9.65544 26.87534 25.76562 0.426 26.44506 H ? A ? 79 H 1
   ATOM 2107 H C LYS A 80 ? 9.70480 26.87193 25.75320 0.253 26.44506 H ? A ? 79 H 1
   ATOM 2108 N A GLN A 81 ? 11.77634 24.59738 26.75765 0.477 22.85433 N ? A ? 80 N 1
   ATOM 2109 CA A GLN A 81 ? 12.94333 23.85494 27.26738 0.477 27.45585 C ? A ? 80 CA 1
   ATOM 2110 C A GLN A 81 ? 13.53309 24.46001 28.53470 0.477 26.00871 C ? A ? 80 C 1
   ATOM 2111 O A GLN A 81 ? 14.12173 23.75172 29.38510 0.477 18.40763 O ? A ? 80 O 1
   ATOM 2112 CB A GLN A 81 ? 13.94863 23.72557 26.08741 0.477 33.59147 C ? A ? 80 CB 1
   ATOM 2113 CG A GLN A 81 ? 14.57655 25.01126 25.46352 0.477 37.09760 C ? A ? 80 CG 1
   ATOM 2114 CD A GLN A 81 ? 15.38343 24.76186 24.08711 0.477 35.52583 C ? A ? 80 CD 1
   ATOM 2115 OE1 A GLN A 81 ? 15.04484 23.93819 23.26071 0.477 38.56859 O ? A ? 80 OE1 1
   ATOM 2116 NE2 A GLN A 81 ? 16.39518 25.53237 23.88194 0.477 25.57182 N ? A ? 80 NE2 1
   ATOM 2117 H A GLN A 81 ? 11.92897 25.08117 26.06321 0.477 27.45635 H ? A ? 80 H 1
   ATOM 2118 HA A GLN A 81 ? 12.69824 22.96014 27.55052 0.477 32.97818 H ? A ? 80 HA 1
   ATOM 2119 HB2 A GLN A 81 ? 14.69163 23.18547 26.39908 0.477 40.34091 H ? A ? 80 HB2 1
   ATOM 2120 HB3 A GLN A 81 ? 13.48838 23.27111 25.36455 0.477 40.34091 H ? A ? 80 HB3 1
   ATOM 2121 HG2 A GLN A 81 ? 13.86501 25.64304 25.27517 0.477 44.54827 H ? A ? 80 HG2 1
   ATOM 2122 HG3 A GLN A 81 ? 15.19871 25.39305 26.10231 0.477 44.54827 H ? A ? 80 HG3 1
   ATOM 2123 HE21 A GLN A 81 ? 16.60268 26.13308 24.46133 0.477 30.71735 H ? A ? 80 HE21 1
   ATOM 2124 HE22 A GLN A 81 ? 16.86313 25.44606 23.16558 0.477 30.71735 H ? A ? 80 HE22 1
   ATOM 2125 N B GLN A 81 ? 11.69585 24.59775 26.63937 0.251 23.41995 N ? A ? 80 N 1
   ATOM 2126 CA B GLN A 81 ? 12.85079 23.82191 26.98501 0.251 28.10438 C ? A ? 80 CA 1
   ATOM 2127 C B GLN A 81 ? 13.24428 24.09286 28.40642 0.251 23.76125 C ? A ? 80 C 1
   ATOM 2128 O B GLN A 81 ? 13.29867 23.13824 29.15489 0.251 13.04171 O ? A ? 80 O 1
   ATOM 2129 CB B GLN A 81 ? 13.99786 24.00953 26.02140 0.251 32.49797 C ? A ? 80 CB 1
   ATOM 2130 CG B GLN A 81 ? 13.89199 22.90396 24.92283 0.251 30.83506 C ? A ? 80 CG 1
   ATOM 2131 CD B GLN A 81 ? 14.10188 21.42044 25.44819 0.251 36.58752 C ? A ? 80 CD 1
   ATOM 2132 OE1 B GLN A 81 ? 13.15555 20.64368 25.37962 0.251 39.94193 O ? A ? 80 OE1 1
   ATOM 2133 NE2 B GLN A 81 ? 15.33506 21.04385 25.92627 0.251 27.58798 N ? A ? 80 NE2 1
   ATOM 2134 H B GLN A 81 ? 11.78702 25.10810 25.95320 0.251 28.13510 H ? A ? 80 H 1
   ATOM 2135 HA B GLN A 81 ? 12.62132 22.88330 26.89988 0.251 33.75641 H ? A ? 80 HA 1
   ATOM 2136 HB2 B GLN A 81 ? 13.94272 24.88290 25.60297 0.251 39.02872 H ? A ? 80 HB2 1
   ATOM 2137 HB3 B GLN A 81 ? 14.84360 23.91774 26.48745 0.251 39.02872 H ? A ? 80 HB3 1
   ATOM 2138 HG2 B GLN A 81 ? 13.00894 22.94940 24.52400 0.251 37.03323 H ? A ? 80 HG2 1
   ATOM 2139 HG3 B GLN A 81 ? 14.56930 23.07290 24.24933 0.251 37.03323 H ? A ? 80 HG3 1
   ATOM 2140 HE21 B GLN A 81 ? 15.98262 21.60964 25.93848 0.251 33.13674 H ? A ? 80 HE21 1
   ATOM 2141 HE22 B GLN A 81 ? 15.45870 20.24255 26.21303 0.251 33.13674 H ? A ? 80 HE22 1
   ATOM 2142 N C GLN A 81 ? 11.73744 24.59981 26.71402 0.272 23.28939 N ? A ? 80 N 1
   ATOM 2143 CA C GLN A 81 ? 12.84994 23.78961 27.16497 0.272 27.59602 C ? A ? 80 CA 1
   ATOM 2144 C C GLN A 81 ? 13.32955 24.20793 28.53665 0.272 24.59657 C ? A ? 80 C 1
   ATOM 2145 O C GLN A 81 ? 13.65719 23.32507 29.32668 0.272 20.75194 O ? A ? 80 O 1
   ATOM 2146 CB C GLN A 81 ? 13.95681 23.77143 26.12300 0.272 33.06422 C ? A ? 80 CB 1
   ATOM 2147 CG C GLN A 81 ? 13.83088 22.52920 25.17791 0.272 30.35945 C ? A ? 80 CG 1
   ATOM 2148 CD C GLN A 81 ? 14.00871 21.16906 25.89955 0.272 35.61333 C ? A ? 80 CD 1
   ATOM 2149 OE1 C GLN A 81 ? 13.20311 20.25649 25.73092 0.272 36.10734 O ? A ? 80 OE1 1
   ATOM 2150 NE2 C GLN A 81 ? 15.07551 21.03713 26.67265 0.272 29.24932 N ? A ? 80 NE2 1
   ATOM 2151 H C GLN A 81 ? 11.88489 25.11201 26.03911 0.272 27.97843 H ? A ? 80 H 1
   ATOM 2152 HA C GLN A 81 ? 12.56129 22.86770 27.25259 0.272 33.14638 H ? A ? 80 HA 1
   ATOM 2153 HB2 C GLN A 81 ? 13.90150 24.57462 25.58196 0.272 39.70822 H ? A ? 80 HB2 1
   ATOM 2154 HB3 C GLN A 81 ? 14.81708 23.73065 26.56930 0.272 39.70822 H ? A ? 80 HB3 1
   ATOM 2155 HG2 C GLN A 81 ? 12.94993 22.53465 24.77198 0.272 36.46250 H ? A ? 80 HG2 1
   ATOM 2156 HG3 C GLN A 81 ? 14.51307 22.58995 24.49101 0.272 36.46250 H ? A ? 80 HG3 1
   ATOM 2157 HE21 C GLN A 81 ? 15.63001 21.68929 26.75522 0.272 35.13034 H ? A ? 80 HE21 1
   ATOM 2158 HE22 C GLN A 81 ? 15.21391 20.29929 27.09221 0.272 35.13034 H ? A ? 80 HE22 1
   ATOM 2159 N A LYS A 82 ? 13.35900 25.74028 28.76618 0.477 24.13193 N ? A ? 81 N 1
   ATOM 2160 CA A LYS A 82 ? 13.67762 26.18707 30.09152 0.477 22.40923 C ? A ? 81 CA 1
   ATOM 2161 C A LYS A 82 ? 12.73864 25.48261 31.07724 0.477 19.88724 C ? A ? 81 C 1
   ATOM 2162 O A LYS A 82 ? 13.18587 24.89046 32.02934 0.477 17.44450 O ? A ? 81 O 1
   ATOM 2163 CB A LYS A 82 ? 13.72506 27.72233 30.19462 0.477 20.70010 C ? A ? 81 CB 1
   ATOM 2164 CG A LYS A 82 ? 14.95331 28.37632 29.44514 0.477 24.28174 C ? A ? 81 CG 1
   ATOM 2165 CD A LYS A 82 ? 16.23547 28.33428 30.28677 0.477 26.71093 C ? A ? 81 CD 1
   ATOM 2166 CE A LYS A 82 ? 17.06770 29.42165 30.01901 0.477 33.66249 C ? A ? 81 CE 1
   ATOM 2167 NZ A LYS A 82 ? 18.06671 29.07445 28.92405 0.477 29.10330 N ? A ? 81 NZ 1
   ATOM 2168 H A LYS A 82 ? 13.07612 26.33026 28.20805 0.477 28.98947 H ? A ? 81 H 1
   ATOM 2169 HA A LYS A 82 ? 14.58533 25.94659 30.33469 0.477 26.92223 H ? A ? 81 HA 1
   ATOM 2170 HB2 A LYS A 82 ? 12.91401 28.08566 29.80590 0.477 24.87127 H ? A ? 81 HB2 1
   ATOM 2171 HB3 A LYS A 82 ? 13.78407 27.96981 31.13067 0.477 24.87127 H ? A ? 81 HB3 1
   ATOM 2172 HG2 A LYS A 82 ? 15.11756 27.89274 28.62047 0.477 29.16924 H ? A ? 81 HG2 1
   ATOM 2173 HG3 A LYS A 82 ? 14.75026 29.30465 29.25055 0.477 29.16924 H ? A ? 81 HG3 1
   ATOM 2174 HD2 A LYS A 82 ? 16.00141 28.35578 31.22786 0.477 32.08428 H ? A ? 81 HD2 1
   ATOM 2175 HD3 A LYS A 82 ? 16.72426 27.52110 30.08496 0.477 32.08428 H ? A ? 81 HD3 1
   ATOM 2176 HE2 A LYS A 82 ? 16.53284 30.17429 29.72175 0.477 40.42615 H ? A ? 81 HE2 1
   ATOM 2177 HE3 A LYS A 82 ? 17.55876 29.65975 30.82092 0.477 40.42615 H ? A ? 81 HE3 1
   ATOM 2178 HZ1 A LYS A 82 ? 18.54893 29.79217 28.71323 0.477 34.95512 H ? A ? 81 HZ1 1
   ATOM 2179 HZ2 A LYS A 82 ? 18.61394 28.43090 29.20419 0.477 34.95512 H ? A ? 81 HZ2 1
   ATOM 2180 HZ3 A LYS A 82 ? 17.63653 28.79202 28.19792 0.477 34.95512 H ? A ? 81 HZ3 1
   ATOM 2181 N B LYS A 82 ? 13.51586 25.39716 28.78349 0.251 23.08073 N ? A ? 81 N 1
   ATOM 2182 CA B LYS A 82 ? 14.01598 25.86462 30.10612 0.251 21.94569 C ? A ? 81 CA 1
   ATOM 2183 C B LYS A 82 ? 13.03512 25.53527 31.19357 0.251 20.01681 C ? A ? 81 C 1
   ATOM 2184 O B LYS A 82 ? 13.41728 25.35184 32.35700 0.251 17.68804 O ? A ? 81 O 1
   ATOM 2185 CB B LYS A 82 ? 14.27014 27.41113 30.17289 0.251 22.65729 C ? A ? 81 CB 1
   ATOM 2186 CG B LYS A 82 ? 15.55259 27.83681 29.47004 0.251 26.06445 C ? A ? 81 CG 1
   ATOM 2187 CD B LYS A 82 ? 15.78756 29.29359 29.71475 0.251 24.98231 C ? A ? 81 CD 1
   ATOM 2188 CE B LYS A 82 ? 17.21606 29.75412 29.45016 0.251 33.56026 C ? A ? 81 CE 1
   ATOM 2189 NZ B LYS A 82 ? 17.79099 29.27797 28.16647 0.251 31.57115 N ? A ? 81 NZ 1
   ATOM 2190 H B LYS A 82 ? 13.40815 26.06284 28.24976 0.251 27.72804 H ? A ? 81 H 1
   ATOM 2191 HA B LYS A 82 ? 14.86868 25.42087 30.23606 0.251 26.36599 H ? A ? 81 HA 1
   ATOM 2192 HB2 B LYS A 82 ? 13.52932 27.87011 29.74696 0.251 27.21990 H ? A ? 81 HB2 1
   ATOM 2193 HB3 B LYS A 82 ? 14.33584 27.67902 31.10284 0.251 27.21990 H ? A ? 81 HB3 1
   ATOM 2194 HG2 B LYS A 82 ? 16.30395 27.33377 29.82121 0.251 31.30849 H ? A ? 81 HG2 1
   ATOM 2195 HG3 B LYS A 82 ? 15.47070 27.68757 28.51509 0.251 31.30849 H ? A ? 81 HG3 1
   ATOM 2196 HD2 B LYS A 82 ? 15.20313 29.80409 29.13273 0.251 30.00993 H ? A ? 81 HD2 1
   ATOM 2197 HD3 B LYS A 82 ? 15.58446 29.48890 30.64292 0.251 30.00993 H ? A ? 81 HD3 1
   ATOM 2198 HE2 B LYS A 82 ? 17.23047 30.72389 29.43456 0.251 40.30347 H ? A ? 81 HE2 1
   ATOM 2199 HE3 B LYS A 82 ? 17.78427 29.42533 30.16426 0.251 40.30347 H ? A ? 81 HE3 1
   ATOM 2200 HZ1 B LYS A 82 ? 18.30575 29.91059 27.81023 0.251 37.91654 H ? A ? 81 HZ1 1
   ATOM 2201 HZ2 B LYS A 82 ? 18.28292 28.54932 28.30494 0.251 37.91654 H ? A ? 81 HZ2 1
   ATOM 2202 HZ3 B LYS A 82 ? 17.13786 29.08117 27.59481 0.251 37.91654 H ? A ? 81 HZ3 1
   ATOM 2203 N C LYS A 82 ? 13.31989 25.52322 28.87357 0.272 22.09010 N ? A ? 81 N 1
   ATOM 2204 CA C LYS A 82 ? 13.85107 26.00257 30.16318 0.272 21.30634 C ? A ? 81 CA 1
   ATOM 2205 C C LYS A 82 ? 12.95711 25.59103 31.32657 0.272 20.19415 C ? A ? 81 C 1
   ATOM 2206 O C LYS A 82 ? 13.46812 25.37960 32.43791 0.272 17.14937 O ? A ? 81 O 1
   ATOM 2207 CB C LYS A 82 ? 14.11876 27.52666 30.19879 0.272 21.96335 C ? A ? 81 CB 1
   ATOM 2208 CG C LYS A 82 ? 15.41925 27.87168 29.49866 0.272 25.75115 C ? A ? 81 CG 1
   ATOM 2209 CD C LYS A 82 ? 15.71911 29.30763 29.75105 0.272 24.95982 C ? A ? 81 CD 1
   ATOM 2210 CE C LYS A 82 ? 17.16627 29.69645 29.51230 0.272 33.45568 C ? A ? 81 CE 1
   ATOM 2211 NZ C LYS A 82 ? 17.71552 29.28813 28.19631 0.272 31.56777 N ? A ? 81 NZ 1
   ATOM 2212 H C LYS A 82 ? 13.01186 26.15031 28.37208 0.272 26.53928 H ? A ? 81 H 1
   ATOM 2213 HA C LYS A 82 ? 14.72249 25.58951 30.26764 0.272 25.59877 H ? A ? 81 HA 1
   ATOM 2214 HB2 C LYS A 82 ? 13.39549 27.99084 29.74899 0.272 26.38718 H ? A ? 81 HB2 1
   ATOM 2215 HB3 C LYS A 82 ? 14.17916 27.82114 31.12103 0.272 26.38718 H ? A ? 81 HB3 1
   ATOM 2216 HG2 C LYS A 82 ? 16.14184 27.32897 29.85113 0.272 30.93254 H ? A ? 81 HG2 1
   ATOM 2217 HG3 C LYS A 82 ? 15.33194 27.72796 28.54335 0.272 30.93254 H ? A ? 81 HG3 1
   ATOM 2218 HD2 C LYS A 82 ? 15.16993 29.84759 29.16135 0.272 29.98294 H ? A ? 81 HD2 1
   ATOM 2219 HD3 C LYS A 82 ? 15.51054 29.51016 30.67646 0.272 29.98294 H ? A ? 81 HD3 1
   ATOM 2220 HE2 C LYS A 82 ? 17.23911 30.66197 29.57025 0.272 40.17798 H ? A ? 81 HE2 1
   ATOM 2221 HE3 C LYS A 82 ? 17.71358 29.28078 30.19683 0.272 40.17798 H ? A ? 81 HE3 1
   ATOM 2222 HZ1 C LYS A 82 ? 18.20105 28.54760 28.28562 0.272 37.91248 H ? A ? 81 HZ1 1
   ATOM 2223 HZ2 C LYS A 82 ? 17.05156 29.13102 27.62485 0.272 37.91248 H ? A ? 81 HZ2 1
   ATOM 2224 HZ3 C LYS A 82 ? 18.23209 29.93439 27.86829 0.272 37.91248 H ? A ? 81 HZ3 1
   ATOM 2225 N A GLN A 83 ? 11.42525 25.46500 30.83900 0.477 16.16560 N ? A ? 82 N 1
   ATOM 2226 CA A GLN A 83 ? 10.52828 25.00832 31.89090 0.477 15.55304 C ? A ? 82 CA 1
   ATOM 2227 C A GLN A 83 ? 10.69587 23.47401 32.05716 0.477 15.45883 C ? A ? 82 C 1
   ATOM 2228 O A GLN A 83 ? 10.53768 22.95593 33.12965 0.477 16.27486 O ? A ? 82 O 1
   ATOM 2229 CB A GLN A 83 ? 9.07707 25.52333 31.73481 0.477 22.07028 C ? A ? 82 CB 1
   ATOM 2230 CG A GLN A 83 ? 8.08620 24.64254 31.79081 0.477 19.33409 C ? A ? 82 CG 1
   ATOM 2231 CD A GLN A 83 ? 7.20680 24.79629 30.51363 0.477 31.14949 C ? A ? 82 CD 1
   ATOM 2232 OE1 A GLN A 83 ? 7.29144 25.77553 29.83767 0.477 35.89355 O ? A ? 82 OE1 1
   ATOM 2233 NE2 A GLN A 83 ? 6.37163 23.88556 30.23780 0.477 21.25843 N ? A ? 82 NE2 1
   ATOM 2234 H A GLN A 83 ? 11.04630 25.70354 30.10477 0.477 19.42987 H ? A ? 82 H 1
   ATOM 2235 HA A GLN A 83 ? 10.75588 25.41776 32.74029 0.477 18.69480 H ? A ? 82 HA 1
   ATOM 2236 HB2 A GLN A 83 ? 8.91567 26.16608 32.44313 0.477 26.51549 H ? A ? 82 HB2 1
   ATOM 2237 HB3 A GLN A 83 ? 9.01120 25.95862 30.87047 0.477 26.51549 H ? A ? 82 HB3 1
   ATOM 2238 HG2 A GLN A 83 ? 8.44485 23.74181 31.82188 0.477 23.23206 H ? A ? 82 HG2 1
   ATOM 2239 HG3 A GLN A 83 ? 7.53885 24.80888 32.57416 0.477 23.23206 H ? A ? 82 HG3 1
   ATOM 2240 HE21 A GLN A 83 ? 6.29835 23.19949 30.75115 0.477 25.54127 H ? A ? 82 HE21 1
   ATOM 2241 HE22 A GLN A 83 ? 5.87761 23.95302 29.53709 0.477 25.54127 H ? A ? 82 HE22 1
   ATOM 2242 N B GLN A 83 ? 11.76979 25.61764 30.83161 0.251 16.21003 N ? A ? 82 N 1
   ATOM 2243 CA B GLN A 83 ? 10.71186 25.14347 31.68248 0.251 14.80048 C ? A ? 82 CA 1
   ATOM 2244 C B GLN A 83 ? 10.92001 23.66603 32.00455 0.251 15.81325 C ? A ? 82 C 1
   ATOM 2245 O B GLN A 83 ? 11.08733 23.31819 33.15723 0.251 14.32032 O ? A ? 82 O 1
   ATOM 2246 CB B GLN A 83 ? 9.36136 25.47425 31.06216 0.251 17.10719 C ? A ? 82 CB 1
   ATOM 2247 CG B GLN A 83 ? 8.47424 24.32132 30.84697 0.251 29.79311 C ? A ? 82 CG 1
   ATOM 2248 CD B GLN A 83 ? 7.04480 24.70003 30.83601 0.251 26.77447 C ? A ? 82 CD 1
   ATOM 2249 OE1 B GLN A 83 ? 6.74449 25.80511 30.41326 0.251 15.93693 O ? A ? 82 OE1 1
   ATOM 2250 NE2 B GLN A 83 ? 6.14984 23.81670 31.29365 0.251 16.49574 N ? A ? 82 NE2 1
   ATOM 2251 H B GLN A 83 ? 11.49685 25.94938 30.08659 0.251 19.48319 H ? A ? 82 H 1
   ATOM 2252 HA B GLN A 83 ? 10.71508 25.60476 32.53577 0.251 17.79173 H ? A ? 82 HA 1
   ATOM 2253 HB2 B GLN A 83 ? 8.89757 26.09193 31.64890 0.251 20.55979 H ? A ? 82 HB2 1
   ATOM 2254 HB3 B GLN A 83 ? 9.51398 25.88836 30.19838 0.251 20.55979 H ? A ? 82 HB3 1
   ATOM 2255 HG2 B GLN A 83 ? 8.68438 23.91507 29.99158 0.251 35.78288 H ? A ? 82 HG2 1
   ATOM 2256 HG3 B GLN A 83 ? 8.60990 23.67938 31.56140 0.251 35.78288 H ? A ? 82 HG3 1
   ATOM 2257 HE21 B GLN A 83 ? 6.41152 23.05082 31.58442 0.251 19.82604 H ? A ? 82 HE21 1
   ATOM 2258 HE22 B GLN A 83 ? 5.31300 24.01489 31.29698 0.251 19.82604 H ? A ? 82 HE22 1
   ATOM 2259 N C GLN A 83 ? 11.62510 25.54653 31.11347 0.272 16.20948 N ? A ? 82 N 1
   ATOM 2260 CA C GLN A 83 ? 10.68977 25.07753 32.13685 0.272 15.73014 C ? A ? 82 CA 1
   ATOM 2261 C C GLN A 83 ? 10.65297 23.52895 32.20048 0.272 15.21910 C ? A ? 82 C 1
   ATOM 2262 O C GLN A 83 ? 10.63798 22.96055 33.29562 0.272 16.57381 O ? A ? 82 O 1
   ATOM 2263 CB C GLN A 83 ? 9.27898 25.71065 31.98337 0.272 21.20468 C ? A ? 82 CB 1
   ATOM 2264 CG C GLN A 83 ? 8.47918 25.24695 30.82575 0.272 11.17605 C ? A ? 82 CG 1
   ATOM 2265 CD C GLN A 83 ? 7.25909 24.65356 31.29438 0.272 24.82837 C ? A ? 82 CD 1
   ATOM 2266 OE1 C GLN A 83 ? 6.30496 25.36464 31.64756 0.272 32.96204 O ? A ? 82 OE1 1
   ATOM 2267 NE2 C GLN A 83 ? 7.31690 23.31974 31.50740 0.272 17.05583 N ? A ? 82 NE2 1
   ATOM 2268 H C GLN A 83 ? 11.24367 25.78460 30.38037 0.272 19.48254 H ? A ? 82 H 1
   ATOM 2269 HA C GLN A 83 ? 11.00080 25.39265 32.99990 0.272 18.90732 H ? A ? 82 HA 1
   ATOM 2270 HB2 C GLN A 83 ? 8.76823 25.50935 32.78306 0.272 25.47678 H ? A ? 82 HB2 1
   ATOM 2271 HB3 C GLN A 83 ? 9.38626 26.67027 31.89102 0.272 25.47678 H ? A ? 82 HB3 1
   ATOM 2272 HG2 C GLN A 83 ? 8.26247 25.99952 30.25341 0.272 13.44242 H ? A ? 82 HG2 1
   ATOM 2273 HG3 C GLN A 83 ? 8.97915 24.58299 30.32567 0.272 13.44242 H ? A ? 82 HG3 1
   ATOM 2274 HE21 C GLN A 83 ? 8.04879 22.89232 31.36159 0.272 20.49815 H ? A ? 82 HE21 1
   ATOM 2275 HE22 C GLN A 83 ? 6.62179 22.89869 31.78871 0.272 20.49815 H ? A ? 82 HE22 1
   ATOM 2276 N A GLN A 84 ? 11.11162 22.75498 30.99404 0.477 20.11112 N ? A ? 83 N 1
   ATOM 2277 CA A GLN A 84 ? 11.35811 21.30871 31.13403 0.477 17.55385 C ? A ? 83 CA 1
   ATOM 2278 C A GLN A 84 ? 12.71449 21.02698 31.77706 0.477 17.39686 C ? A ? 83 C 1
   ATOM 2279 O A GLN A 84 ? 12.77601 20.19984 32.71593 0.477 15.32179 O ? A ? 83 O 1
   ATOM 2280 CB A GLN A 84 ? 10.92416 20.62220 29.81392 0.477 25.57699 C ? A ? 83 CB 1
   ATOM 2281 CG A GLN A 84 ? 9.43522 20.75659 29.46820 0.477 26.52624 C ? A ? 83 CG 1
   ATOM 2282 CD A GLN A 84 ? 8.47205 19.76075 30.28747 0.477 44.02104 C ? A ? 83 CD 1
   ATOM 2283 OE1 A GLN A 84 ? 8.59607 18.52861 30.22785 0.477 38.66248 O ? A ? 83 OE1 1
   ATOM 2284 NE2 A GLN A 84 ? 7.46729 20.32649 30.92838 0.477 26.09603 N ? A ? 83 NE2 1
   ATOM 2285 H A GLN A 84 ? 11.25324 23.07224 30.20734 0.477 24.16451 H ? A ? 83 H 1
   ATOM 2286 HA A GLN A 84 ? 10.79750 20.84732 31.77726 0.477 21.09578 H ? A ? 83 HA 1
   ATOM 2287 HB2 A GLN A 84 ? 11.42817 21.01506 29.08417 0.477 30.72354 H ? A ? 83 HB2 1
   ATOM 2288 HB3 A GLN A 84 ? 11.12204 19.67502 29.88166 0.477 30.72354 H ? A ? 83 HB3 1
   ATOM 2289 HG2 A GLN A 84 ? 9.15246 21.66390 29.66245 0.477 31.86265 H ? A ? 83 HG2 1
   ATOM 2290 HG3 A GLN A 84 ? 9.31781 20.56746 28.52409 0.477 31.86265 H ? A ? 83 HG3 1
   ATOM 2291 HE21 A GLN A 84 ? 7.35934 21.17891 30.89180 0.477 31.34639 H ? A ? 83 HE21 1
   ATOM 2292 HE22 A GLN A 84 ? 6.92025 19.84289 31.38277 0.477 31.34639 H ? A ? 83 HE22 1
   ATOM 2293 N B GLN A 84 ? 10.87548 22.78141 30.96710 0.251 19.69510 N ? A ? 83 N 1
   ATOM 2294 CA B GLN A 84 ? 10.93579 21.31041 31.13372 0.251 18.85405 C ? A ? 83 CA 1
   ATOM 2295 C B GLN A 84 ? 12.23099 20.83000 31.82210 0.251 16.29090 C ? A ? 83 C 1
   ATOM 2296 O B GLN A 84 ? 12.14492 19.84536 32.56678 0.251 15.09387 O ? A ? 83 O 1
   ATOM 2297 CB B GLN A 84 ? 10.69915 20.62928 29.78047 0.251 23.39082 C ? A ? 83 CB 1
   ATOM 2298 CG B GLN A 84 ? 9.31086 20.61346 29.34573 0.251 28.75336 C ? A ? 83 CG 1
   ATOM 2299 CD B GLN A 84 ? 8.63294 19.22776 29.50693 0.251 40.07083 C ? A ? 83 CD 1
   ATOM 2300 OE1 B GLN A 84 ? 9.27037 18.20864 29.78359 0.251 43.96104 O ? A ? 83 OE1 1
   ATOM 2301 NE2 B GLN A 84 ? 7.32366 19.20769 29.32097 0.251 40.87797 N ? A ? 83 NE2 1
   ATOM 2302 H B GLN A 84 ? 10.80916 23.01801 30.14295 0.251 23.66527 H ? A ? 83 H 1
   ATOM 2303 HA B GLN A 84 ? 10.21739 21.02219 31.71831 0.251 22.65602 H ? A ? 83 HA 1
   ATOM 2304 HB2 B GLN A 84 ? 11.21216 21.09920 29.10453 0.251 28.10014 H ? A ? 83 HB2 1
   ATOM 2305 HB3 B GLN A 84 ? 10.99699 19.70821 29.84227 0.251 28.10014 H ? A ? 83 HB3 1
   ATOM 2306 HG2 B GLN A 84 ? 8.80903 21.25353 29.87429 0.251 34.53519 H ? A ? 83 HG2 1
   ATOM 2307 HG3 B GLN A 84 ? 9.27295 20.85592 28.40729 0.251 34.53519 H ? A ? 83 HG3 1
   ATOM 2308 HE21 B GLN A 84 ? 6.90606 19.93340 29.12459 0.251 49.08472 H ? A ? 83 HE21 1
   ATOM 2309 HE22 B GLN A 84 ? 6.88990 18.46894 29.39642 0.251 49.08472 H ? A ? 83 HE22 1
   ATOM 2310 N C GLN A 84 ? 10.59048 22.83069 31.04587 0.272 17.70634 N ? A ? 83 N 1
   ATOM 2311 CA C GLN A 84 ? 10.64809 21.35436 31.06041 0.272 17.27134 C ? A ? 83 CA 1
   ATOM 2312 C C GLN A 84 ? 11.97021 20.85902 31.64795 0.272 15.27042 C ? A ? 83 C 1
   ATOM 2313 O C GLN A 84 ? 11.98212 19.86422 32.39214 0.272 13.93367 O ? A ? 83 O 1
   ATOM 2314 CB C GLN A 84 ? 10.58653 20.80642 29.64686 0.272 22.12898 C ? A ? 83 CB 1
   ATOM 2315 CG C GLN A 84 ? 9.40263 20.08717 29.42256 0.272 34.33487 C ? A ? 83 CG 1
   ATOM 2316 CD C GLN A 84 ? 8.24159 21.01604 29.20608 0.272 35.17023 C ? A ? 83 CD 1
   ATOM 2317 OE1 C GLN A 84 ? 8.41773 22.22150 28.99478 0.272 35.79762 O ? A ? 83 OE1 1
   ATOM 2318 NE2 C GLN A 84 ? 7.03592 20.46083 29.24447 0.272 38.92751 N ? A ? 83 NE2 1
   ATOM 2319 H C GLN A 84 ? 10.51667 23.17880 30.26294 0.272 21.27876 H ? A ? 83 H 1
   ATOM 2320 HA C GLN A 84 ? 9.89189 21.03993 31.58021 0.272 20.75676 H ? A ? 83 HA 1
   ATOM 2321 HB2 C GLN A 84 ? 10.62043 21.54279 29.01638 0.272 26.58593 H ? A ? 83 HB2 1
   ATOM 2322 HB3 C GLN A 84 ? 11.33793 20.21044 29.50160 0.272 26.58593 H ? A ? 83 HB3 1
   ATOM 2323 HG2 C GLN A 84 ? 9.50553 19.53430 28.63221 0.272 41.23300 H ? A ? 83 HG2 1
   ATOM 2324 HG3 C GLN A 84 ? 9.21166 19.53095 30.19395 0.272 41.23300 H ? A ? 83 HG3 1
   ATOM 2325 HE21 C GLN A 84 ? 6.95567 19.61650 29.38684 0.272 46.74417 H ? A ? 83 HE21 1
   ATOM 2326 HE22 C GLN A 84 ? 6.33534 20.94558 29.12696 0.272 46.74417 H ? A ? 83 HE22 1
   ATOM 2327 N A ALA A 85 ? 13.80103 21.78981 31.52211 0.477 18.44446 N ? A ? 84 N 1
   ATOM 2328 CA A ALA A 85 ? 15.02250 21.49831 32.25918 0.477 18.15009 C ? A ? 84 CA 1
   ATOM 2329 C A ALA A 85 ? 14.73605 21.72220 33.69484 0.477 16.19310 C ? A ? 84 C 1
   ATOM 2330 O A ALA A 85 ? 15.09939 20.96630 34.59810 0.477 21.46036 O ? A ? 84 O 1
   ATOM 2331 CB A ALA A 85 ? 16.12497 22.45196 31.86275 0.477 21.10368 C ? A ? 84 CB 1
   ATOM 2332 H A ALA A 85 ? 13.84237 22.43917 30.95978 0.477 22.16451 H ? A ? 84 H 1
   ATOM 2333 HA A ALA A 85 ? 15.32026 20.59456 32.07080 0.477 21.81127 H ? A ? 84 HA 1
   ATOM 2334 HB1 A ALA A 85 ? 16.90018 22.28872 32.42249 0.477 25.35558 H ? A ? 84 HB1 1
   ATOM 2335 HB2 A ALA A 85 ? 16.35200 22.30267 30.93158 0.477 25.35558 H ? A ? 84 HB2 1
   ATOM 2336 HB3 A ALA A 85 ? 15.81416 23.36257 31.98555 0.477 25.35558 H ? A ? 84 HB3 1
   ATOM 2337 N B ALA A 85 ? 13.34340 21.60777 31.81930 0.251 17.87804 N ? A ? 84 N 1
   ATOM 2338 CA B ALA A 85 ? 14.59766 21.30958 32.60432 0.251 18.91955 C ? A ? 84 CA 1
   ATOM 2339 C B ALA A 85 ? 14.65162 21.70800 34.10808 0.251 15.35161 C ? A ? 84 C 1
   ATOM 2340 O B ALA A 85 ? 15.07636 20.87266 34.94967 0.251 12.05827 O ? A ? 84 O 1
   ATOM 2341 CB B ALA A 85 ? 15.80163 21.88029 31.82838 0.251 19.24631 C ? A ? 84 CB 1
   ATOM 2342 H B ALA A 85 ? 13.41095 22.33403 31.36369 0.251 21.48480 H ? A ? 84 H 1
   ATOM 2343 HA B ALA A 85 ? 14.63703 20.34222 32.66411 0.251 22.73462 H ? A ? 84 HA 1
   ATOM 2344 HB1 B ALA A 85 ? 16.61677 21.66757 32.30919 0.251 23.12673 H ? A ? 84 HB1 1
   ATOM 2345 HB2 B ALA A 85 ? 15.82536 21.48158 30.94443 0.251 23.12673 H ? A ? 84 HB2 1
   ATOM 2346 HB3 B ALA A 85 ? 15.70252 22.84240 31.75474 0.251 23.12673 H ? A ? 84 HB3 1
   ATOM 2347 N C ALA A 85 ? 13.07079 21.54383 31.37553 0.272 11.22418 N ? A ? 84 N 1
   ATOM 2348 CA C ALA A 85 ? 14.33598 21.20226 32.05311 0.272 16.49697 C ? A ? 84 CA 1
   ATOM 2349 C C ALA A 85 ? 14.31731 21.43987 33.57858 0.272 15.46624 C ? A ? 84 C 1
   ATOM 2350 O C ALA A 85 ? 14.80318 20.59488 34.30340 0.272 10.53375 O ? A ? 84 O 1
   ATOM 2351 CB C ALA A 85 ? 15.56314 21.88295 31.41257 0.272 17.61083 C ? A ? 84 CB 1
   ATOM 2352 H C ALA A 85 ? 13.12244 22.19660 30.81802 0.272 13.50017 H ? A ? 84 H 1
   ATOM 2353 HA C ALA A 85 ? 14.43497 20.24721 31.91533 0.272 19.82752 H ? A ? 84 HA 1
   ATOM 2354 HB1 C ALA A 85 ? 16.36262 21.60086 31.88391 0.272 21.16415 H ? A ? 84 HB1 1
   ATOM 2355 HB2 C ALA A 85 ? 15.61893 21.62080 30.48033 0.272 21.16415 H ? A ? 84 HB2 1
   ATOM 2356 HB3 C ALA A 85 ? 15.46156 22.84525 31.48006 0.272 21.16415 H ? A ? 84 HB3 1
   ATOM 2357 N A PHE A 86 ? 13.82200 22.69341 33.86421 0.477 14.22689 N ? A ? 85 N 1
   ATOM 2358 CA A PHE A 86 ? 13.51874 23.02811 35.20462 0.477 15.75784 C ? A ? 85 CA 1
   ATOM 2359 C A PHE A 86 ? 12.71321 21.90327 35.81992 0.477 11.59333 C ? A ? 85 C 1
   ATOM 2360 O A PHE A 86 ? 12.97222 21.39387 36.92518 0.477 12.95636 O ? A ? 85 O 1
   ATOM 2361 CB A PHE A 86 ? 12.76285 24.34193 35.27035 0.477 12.70201 C ? A ? 85 CB 1
   ATOM 2362 CG A PHE A 86 ? 12.16481 24.55479 36.62966 0.477 12.89808 C ? A ? 85 CG 1
   ATOM 2363 CD1 A PHE A 86 ? 13.03448 24.72903 37.67729 0.477 12.36503 C ? A ? 85 CD1 1
   ATOM 2364 CD2 A PHE A 86 ? 10.80926 24.59991 36.86291 0.477 13.48619 C ? A ? 85 CD2 1
   ATOM 2365 CE1 A PHE A 86 ? 12.61612 24.91368 38.96003 0.477 17.04947 C ? A ? 85 CE1 1
   ATOM 2366 CE2 A PHE A 86 ? 10.36972 24.81241 38.11911 0.477 14.35407 C ? A ? 85 CE2 1
   ATOM 2367 CZ A PHE A 86 ? 11.28352 24.92939 39.17202 0.477 14.89119 C ? A ? 85 CZ 1
   ATOM 2368 H A PHE A 86 ? 13.40910 23.12540 33.24575 0.477 17.10342 H ? A ? 85 H 1
   ATOM 2369 HA A PHE A 86 ? 14.33721 23.15443 35.70963 0.477 18.94056 H ? A ? 85 HA 1
   ATOM 2370 HB2 A PHE A 86 ? 13.37217 25.07353 35.08493 0.477 15.27357 H ? A ? 85 HB2 1
   ATOM 2371 HB3 A PHE A 86 ? 12.04574 24.33379 34.61721 0.477 15.27357 H ? A ? 85 HB3 1
   ATOM 2372 HD1 A PHE A 86 ? 13.94810 24.72061 37.50372 0.477 14.86919 H ? A ? 85 HD1 1
   ATOM 2373 HD2 A PHE A 86 ? 10.20588 24.48553 36.16452 0.477 16.21459 H ? A ? 85 HD2 1
   ATOM 2374 HE1 A PHE A 86 ? 13.22097 25.02388 39.65782 0.477 20.49052 H ? A ? 85 HE1 1
   ATOM 2375 HE2 A PHE A 86 ? 9.45748 24.88139 38.28630 0.477 17.25605 H ? A ? 85 HE2 1
   ATOM 2376 HZ A PHE A 86 ? 10.96421 25.02037 40.04074 0.477 17.90059 H ? A ? 85 HZ 1
   ATOM 2377 N B PHE A 86 ? 14.05140 22.86830 34.50077 0.251 11.62926 N ? A ? 85 N 1
   ATOM 2378 CA B PHE A 86 ? 13.61896 23.07760 35.88942 0.251 8.17562 C ? A ? 85 CA 1
   ATOM 2379 C B PHE A 86 ? 12.81463 21.85533 36.40078 0.251 13.36575 C ? A ? 85 C 1
   ATOM 2380 O B PHE A 86 ? 13.12687 21.28982 37.47763 0.251 12.55343 O ? A ? 85 O 1
   ATOM 2381 CB B PHE A 86 ? 12.80203 24.38534 35.97303 0.251 10.35746 C ? A ? 85 CB 1
   ATOM 2382 CG B PHE A 86 ? 12.07110 24.56162 37.21139 0.251 10.41388 C ? A ? 85 CG 1
   ATOM 2383 CD1 B PHE A 86 ? 12.75396 24.68106 38.40314 0.251 12.85031 C ? A ? 85 CD1 1
   ATOM 2384 CD2 B PHE A 86 ? 10.67660 24.57362 37.15012 0.251 12.00385 C ? A ? 85 CD2 1
   ATOM 2385 CE1 B PHE A 86 ? 11.98728 24.83384 39.56125 0.251 10.90368 C ? A ? 85 CE1 1
   ATOM 2386 CE2 B PHE A 86 ? 9.88116 24.68165 38.24708 0.251 14.17376 C ? A ? 85 CE2 1
   ATOM 2387 CZ B PHE A 86 ? 10.52479 24.83643 39.44201 0.251 12.09610 C ? A ? 85 CZ 1
   ATOM 2388 H B PHE A 86 ? 13.89055 23.53381 33.98038 0.251 13.98627 H ? A ? 85 H 1
   ATOM 2389 HA B PHE A 86 ? 14.38958 23.17693 36.47008 0.251 9.84190 H ? A ? 85 HA 1
   ATOM 2390 HB2 B PHE A 86 ? 13.41036 25.13551 35.88315 0.251 12.46011 H ? A ? 85 HB2 1
   ATOM 2391 HB3 B PHE A 86 ? 12.15669 24.39292 35.24889 0.251 12.46011 H ? A ? 85 HB3 1
   ATOM 2392 HD1 B PHE A 86 ? 13.68320 24.66085 38.43479 0.251 15.45153 H ? A ? 85 HD1 1
   ATOM 2393 HD2 B PHE A 86 ? 10.27099 24.50416 36.31612 0.251 14.43578 H ? A ? 85 HD2 1
   ATOM 2394 HE1 B PHE A 86 ? 12.39571 24.93192 40.39099 0.251 13.11558 H ? A ? 85 HE1 1
   ATOM 2395 HE2 B PHE A 86 ? 8.95354 24.65193 38.18760 0.251 17.03967 H ? A ? 85 HE2 1
   ATOM 2396 HZ B PHE A 86 ? 10.01498 24.94806 40.21177 0.251 14.54647 H ? A ? 85 HZ 1
   ATOM 2397 N C PHE A 86 ? 13.83799 22.66471 34.08570 0.272 14.25537 N ? A ? 85 N 1
   ATOM 2398 CA C PHE A 86 ? 13.61437 22.98638 35.53001 0.272 14.21971 C ? A ? 85 CA 1
   ATOM 2399 C C PHE A 86 ? 12.82113 21.86450 36.20507 0.272 13.06368 C ? A ? 85 C 1
   ATOM 2400 O C PHE A 86 ? 13.20561 21.35159 37.28210 0.272 14.66239 O ? A ? 85 O 1
   ATOM 2401 CB C PHE A 86 ? 12.88972 24.36381 35.69367 0.272 12.21349 C ? A ? 85 CB 1
   ATOM 2402 CG C PHE A 86 ? 12.11426 24.52251 36.95644 0.272 12.66493 C ? A ? 85 CG 1
   ATOM 2403 CD1 C PHE A 86 ? 12.75084 24.66784 38.19419 0.272 12.97034 C ? A ? 85 CD1 1
   ATOM 2404 CD2 C PHE A 86 ? 10.72686 24.50982 36.86122 0.272 13.35119 C ? A ? 85 CD2 1
   ATOM 2405 CE1 C PHE A 86 ? 11.94860 24.82659 39.36075 0.272 11.94422 C ? A ? 85 CE1 1
   ATOM 2406 CE2 C PHE A 86 ? 9.90543 24.65089 37.99167 0.272 14.59084 C ? A ? 85 CE2 1
   ATOM 2407 CZ C PHE A 86 ? 10.51027 24.82068 39.22187 0.272 10.39069 C ? A ? 85 CZ 1
   ATOM 2408 H C PHE A 86 ? 13.63536 23.33113 33.58129 0.272 17.13760 H ? A ? 85 H 1
   ATOM 2409 HA C PHE A 86 ? 14.47500 23.06998 35.96959 0.272 17.09481 H ? A ? 85 HA 1
   ATOM 2410 HB2 C PHE A 86 ? 13.55801 25.06655 35.67283 0.272 14.68734 H ? A ? 85 HB2 1
   ATOM 2411 HB3 C PHE A 86 ? 12.26948 24.47383 34.95604 0.272 14.68734 H ? A ? 85 HB3 1
   ATOM 2412 HD1 C PHE A 86 ? 13.67889 24.66092 38.25403 0.272 15.59556 H ? A ? 85 HD1 1
   ATOM 2413 HD2 C PHE A 86 ? 10.33201 24.40499 36.02575 0.272 16.05258 H ? A ? 85 HD2 1
   ATOM 2414 HE1 C PHE A 86 ? 12.34330 24.93208 40.19620 0.272 14.36422 H ? A ? 85 HE1 1
   ATOM 2415 HE2 C PHE A 86 ? 8.97891 24.63054 37.91402 0.272 17.54017 H ? A ? 85 HE2 1
   ATOM 2416 HZ C PHE A 86 ? 9.98004 24.93370 39.97751 0.272 12.49998 H ? A ? 85 HZ 1
   ATOM 2417 N A GLN A 87 ? 11.66913 21.47443 35.11935 0.477 11.15432 N ? A ? 86 N 1
   ATOM 2418 CA A GLN A 87 ? 10.81008 20.45779 35.67549 0.477 11.21976 C ? A ? 86 CA 1
   ATOM 2419 C A GLN A 87 ? 11.50998 19.09240 35.91969 0.477 15.11508 C ? A ? 86 C 1
   ATOM 2420 O A GLN A 87 ? 11.21106 18.37392 36.80259 0.477 13.10454 O ? A ? 86 O 1
   ATOM 2421 CB A GLN A 87 ? 9.55459 20.39461 34.78129 0.477 12.93541 C ? A ? 86 CB 1
   ATOM 2422 CG A GLN A 87 ? 8.73119 21.69247 34.92744 0.477 13.94074 C ? A ? 86 CG 1
   ATOM 2423 CD A GLN A 87 ? 7.40481 21.48112 34.27351 0.477 17.74178 C ? A ? 86 CD 1
   ATOM 2424 OE1 A GLN A 87 ? 7.28915 21.58846 33.07584 0.477 19.06418 O ? A ? 86 OE1 1
   ATOM 2425 NE2 A GLN A 87 ? 6.37328 21.15174 35.07507 0.477 18.44057 N ? A ? 86 NE2 1
   ATOM 2426 H A GLN A 87 ? 11.44651 21.75392 34.33709 0.477 13.41635 H ? A ? 86 H 1
   ATOM 2427 HA A GLN A 87 ? 10.52915 20.69396 36.57338 0.477 13.49487 H ? A ? 86 HA 1
   ATOM 2428 HB2 A GLN A 87 ? 9.82026 20.29735 33.85346 0.477 15.55365 H ? A ? 86 HB2 1
   ATOM 2429 HB3 A GLN A 87 ? 9.00194 19.64360 35.04860 0.477 15.55365 H ? A ? 86 HB3 1
   ATOM 2430 HG2 A GLN A 87 ? 8.59499 21.89681 35.86584 0.477 16.76004 H ? A ? 86 HG2 1
   ATOM 2431 HG3 A GLN A 87 ? 9.18833 22.42810 34.49067 0.477 16.76004 H ? A ? 86 HG3 1
   ATOM 2432 HE21 A GLN A 87 ? 6.49567 21.07210 35.92258 0.477 22.15985 H ? A ? 86 HE21 1
   ATOM 2433 HE22 A GLN A 87 ? 5.59241 21.02112 34.73923 0.477 22.15985 H ? A ? 86 HE22 1
   ATOM 2434 N B GLN A 87 ? 11.73370 21.45006 35.70748 0.251 10.80297 N ? A ? 86 N 1
   ATOM 2435 CA B GLN A 87 ? 10.93038 20.39638 36.29116 0.251 13.60109 C ? A ? 86 CA 1
   ATOM 2436 C B GLN A 87 ? 11.67405 19.08166 36.25840 0.251 13.68177 C ? A ? 86 C 1
   ATOM 2437 O B GLN A 87 ? 11.53654 18.33906 37.23228 0.251 12.82962 O ? A ? 86 O 1
   ATOM 2438 CB B GLN A 87 ? 9.58884 20.21532 35.61885 0.251 10.11887 C ? A ? 86 CB 1
   ATOM 2439 CG B GLN A 87 ? 8.77762 21.49880 35.74827 0.251 12.24750 C ? A ? 86 CG 1
   ATOM 2440 CD B GLN A 87 ? 7.35635 21.27677 35.25874 0.251 12.55896 C ? A ? 86 CD 1
   ATOM 2441 OE1 B GLN A 87 ? 6.92596 21.63625 34.12172 0.251 17.29078 O ? A ? 86 OE1 1
   ATOM 2442 NE2 B GLN A 87 ? 6.58428 20.65497 36.09556 0.251 13.79985 N ? A ? 86 NE2 1
   ATOM 2443 H B GLN A 87 ? 11.47216 21.75721 34.94797 0.251 12.99472 H ? A ? 86 H 1
   ATOM 2444 HA B GLN A 87 ? 10.74701 20.66962 37.20364 0.251 16.35247 H ? A ? 86 HA 1
   ATOM 2445 HB2 B GLN A 87 ? 9.71736 20.01863 34.67773 0.251 12.17380 H ? A ? 86 HB2 1
   ATOM 2446 HB3 B GLN A 87 ? 9.10292 19.49234 36.04554 0.251 12.17380 H ? A ? 86 HB3 1
   ATOM 2447 HG2 B GLN A 87 ? 8.74616 21.77139 36.67865 0.251 14.72816 H ? A ? 86 HG2 1
   ATOM 2448 HG3 B GLN A 87 ? 9.18498 22.19668 35.21169 0.251 14.72816 H ? A ? 86 HG3 1
   ATOM 2449 HE21 B GLN A 87 ? 6.89107 20.40405 36.85879 0.251 16.59097 H ? A ? 86 HE21 1
   ATOM 2450 HE22 B GLN A 87 ? 5.76567 20.49369 35.88708 0.251 16.59097 H ? A ? 86 HE22 1
   ATOM 2451 N C GLN A 87 ? 11.70235 21.45405 35.58611 0.272 11.71404 N ? A ? 86 N 1
   ATOM 2452 CA C GLN A 87 ? 10.90183 20.40767 36.18158 0.272 13.86965 C ? A ? 86 CA 1
   ATOM 2453 C C GLN A 87 ? 11.65584 19.09137 36.21095 0.272 13.79361 C ? A ? 86 C 1
   ATOM 2454 O C GLN A 87 ? 11.51319 18.36161 37.18839 0.272 12.75994 O ? A ? 86 O 1
   ATOM 2455 CB C GLN A 87 ? 9.58719 20.23814 35.44170 0.272 10.11259 C ? A ? 86 CB 1
   ATOM 2456 CG C GLN A 87 ? 8.73277 21.52419 35.52540 0.272 12.72669 C ? A ? 86 CG 1
   ATOM 2457 CD C GLN A 87 ? 7.26838 21.24173 35.16722 0.272 13.45527 C ? A ? 86 CD 1
   ATOM 2458 OE1 C GLN A 87 ? 6.70405 21.67442 34.14142 0.272 14.90739 O ? A ? 86 OE1 1
   ATOM 2459 NE2 C GLN A 87 ? 6.63180 20.49702 36.01550 0.272 12.72005 N ? A ? 86 NE2 1
   ATOM 2460 H C GLN A 87 ? 11.40369 21.76432 34.84171 0.272 14.08800 H ? A ? 86 H 1
   ATOM 2461 HA C GLN A 87 ? 10.69499 20.67041 37.09212 0.272 16.67473 H ? A ? 86 HA 1
   ATOM 2462 HB2 C GLN A 87 ? 9.76551 20.04764 34.50745 0.272 12.16626 H ? A ? 86 HB2 1
   ATOM 2463 HB3 C GLN A 87 ? 9.08552 19.50921 35.83904 0.272 12.16626 H ? A ? 86 HB3 1
   ATOM 2464 HG2 C GLN A 87 ? 8.76515 21.87405 36.42953 0.272 15.30318 H ? A ? 86 HG2 1
   ATOM 2465 HG3 C GLN A 87 ? 9.07923 22.18210 34.90248 0.272 15.30318 H ? A ? 86 HG3 1
   ATOM 2466 HE21 C GLN A 87 ? 7.03463 20.20200 36.71571 0.272 15.29522 H ? A ? 86 HE21 1
   ATOM 2467 HE22 C GLN A 87 ? 5.80653 20.29782 35.87823 0.272 15.29522 H ? A ? 86 HE22 1
   ATOM 2468 N . ASP A 88 ? 12.48254 18.77820 35.15482 1.000 14.55365 N ? A ? 87 N 1
   ATOM 2469 CA . ASP A 88 ? 13.36947 17.59964 35.25632 1.000 14.59686 C ? A ? 87 CA 1
   ATOM 2470 C . ASP A 88 ? 14.25071 17.70782 36.47995 1.000 15.47771 C ? A ? 87 C 1
   ATOM 2471 O . ASP A 88 ? 14.46753 16.71204 37.18313 1.000 15.82546 O ? A ? 87 O 1
   ATOM 2472 CB . ASP A 88 ? 14.25182 17.44087 34.00934 1.000 18.18410 C ? A ? 87 CB 1
   ATOM 2473 CG . ASP A 88 ? 13.54421 17.04722 32.72344 1.000 21.66595 C ? A ? 87 CG 1
   ATOM 2474 OD1 . ASP A 88 ? 12.39113 16.61911 32.82126 1.000 24.05952 O ? A ? 87 OD1 1
   ATOM 2475 OD2 . ASP A 88 ? 14.22967 17.27846 31.65056 1.000 22.65330 O ? A ? 87 OD2 1
   ATOM 2476 HA . ASP A 88 ? 12.80798 16.81105 35.31767 1.000 17.54739 H ? A ? 87 HA 1
   ATOM 2477 HB2 . ASP A 88 ? 14.69326 18.28832 33.84240 1.000 21.85208 H ? A ? 87 HB2 1
   ATOM 2478 HB3 . ASP A 88 ? 14.91143 16.75357 34.19218 1.000 21.85208 H ? A ? 87 HB3 1
   ATOM 2479 H A ASP A 88 ? 12.70821 19.26083 34.47973 0.477 17.49553 H ? A ? 87 H 1
   ATOM 2480 H B ASP A 88 ? 12.51397 19.21555 34.41500 0.251 17.49553 H ? A ? 87 H 1
   ATOM 2481 H C ASP A 88 ? 12.53395 19.21733 34.41717 0.272 17.49553 H ? A ? 87 H 1
   ATOM 2482 N A ASN A 89 ? 14.80392 18.89479 36.71386 0.468 14.40493 N ? A ? 88 N 1
   ATOM 2483 CA A ASN A 89 ? 15.53917 19.11808 37.92010 0.468 14.94998 C ? A ? 88 CA 1
   ATOM 2484 C A ASN A 89 ? 14.71836 18.96226 39.19361 0.468 15.86834 C ? A ? 88 C 1
   ATOM 2485 O A ASN A 89 ? 15.27353 18.51389 40.22403 0.468 17.87200 O ? A ? 88 O 1
   ATOM 2486 CB A ASN A 89 ? 16.28171 20.43988 37.84591 0.468 15.23293 C ? A ? 88 CB 1
   ATOM 2487 CG A ASN A 89 ? 17.57218 20.30268 37.06521 0.468 20.99064 C ? A ? 88 CG 1
   ATOM 2488 OD1 A ASN A 89 ? 18.50208 19.56862 37.46807 0.468 31.26721 O ? A ? 88 OD1 1
   ATOM 2489 ND2 A ASN A 89 ? 17.64103 21.00543 35.93154 0.468 17.39172 N ? A ? 88 ND2 1
   ATOM 2490 H A ASN A 89 ? 14.76093 19.57275 36.18649 0.468 17.31707 H ? A ? 88 H 1
   ATOM 2491 HA A ASN A 89 ? 16.21133 18.42224 37.99016 0.468 17.97114 H ? A ? 88 HA 1
   ATOM 2492 HB2 A ASN A 89 ? 15.72392 21.09775 37.40211 0.468 18.31067 H ? A ? 88 HB2 1
   ATOM 2493 HB3 A ASN A 89 ? 16.49710 20.73868 38.74325 0.468 18.31067 H ? A ? 88 HB3 1
   ATOM 2494 HD21 A ASN A 89 ? 18.34907 20.96812 35.44483 0.468 20.90122 H ? A ? 88 HD21 1
   ATOM 2495 HD22 A ASN A 89 ? 16.97733 21.49526 35.68828 0.468 20.90122 H ? A ? 88 HD22 1
   ATOM 2496 N B ASN A 89 ? 14.81599 18.88671 36.83888 0.532 13.25750 N ? A ? 88 N 1
   ATOM 2497 CA B ASN A 89 ? 15.50450 19.02003 38.11324 0.532 15.98681 C ? A ? 88 CA 1
   ATOM 2498 C B ASN A 89 ? 14.63063 18.88899 39.31449 0.532 16.38417 C ? A ? 88 C 1
   ATOM 2499 O B ASN A 89 ? 15.02560 18.33919 40.38367 0.532 14.88108 O ? A ? 88 O 1
   ATOM 2500 CB B ASN A 89 ? 16.34532 20.26991 38.07942 0.532 15.68382 C ? A ? 88 CB 1
   ATOM 2501 CG B ASN A 89 ? 17.64822 19.98842 37.34736 0.532 17.14073 C ? A ? 88 CG 1
   ATOM 2502 OD1 B ASN A 89 ? 18.18733 18.85198 37.37283 0.532 15.06360 O ? A ? 88 OD1 1
   ATOM 2503 ND2 B ASN A 89 ? 18.22474 21.07082 36.75967 0.532 13.26386 N ? A ? 88 ND2 1
   ATOM 2504 H B ASN A 89 ? 14.80703 19.60198 36.36148 0.532 15.94016 H ? A ? 88 H 1
   ATOM 2505 HA B ASN A 89 ? 16.11136 18.27213 38.22841 0.532 19.21533 H ? A ? 88 HA 1
   ATOM 2506 HB2 B ASN A 89 ? 15.86882 20.97341 37.61151 0.532 18.85174 H ? A ? 88 HB2 1
   ATOM 2507 HB3 B ASN A 89 ? 16.54940 20.55272 38.98455 0.532 18.85174 H ? A ? 88 HB3 1
   ATOM 2508 HD21 B ASN A 89 ? 18.96377 20.98340 36.32864 0.532 15.94779 H ? A ? 88 HD21 1
   ATOM 2509 HD22 B ASN A 89 ? 17.85030 21.84274 36.81904 0.532 15.94779 H ? A ? 88 HD22 1
   ATOM 2510 N . ILE A 90 ? 13.40391 19.34088 39.19587 1.000 15.61417 N ? A ? 89 N 1
   ATOM 2511 CA . ILE A 90 ? 12.50958 19.05367 40.32446 1.000 15.26470 C ? A ? 89 CA 1
   ATOM 2512 C . ILE A 90 ? 12.36973 17.51741 40.51265 1.000 16.26252 C ? A ? 89 C 1
   ATOM 2513 O . ILE A 90 ? 12.26896 17.06677 41.64019 1.000 16.31803 O ? A ? 89 O 1
   ATOM 2514 CB . ILE A 90 ? 11.19569 19.77024 40.07964 1.000 14.27875 C ? A ? 89 CB 1
   ATOM 2515 CG1 . ILE A 90 ? 11.29685 21.32020 40.23179 1.000 17.65693 C ? A ? 89 CG1 1
   ATOM 2516 CG2 . ILE A 90 ? 10.02392 19.20609 40.92536 1.000 18.79400 C ? A ? 89 CG2 1
   ATOM 2517 CD1 . ILE A 90 ? 11.45936 21.72388 41.58454 1.000 18.76224 C ? A ? 89 CD1 1
   ATOM 2518 HA . ILE A 90 ? 12.87539 19.38897 41.15792 1.000 18.34879 H ? A ? 89 HA 1
   ATOM 2519 HB . ILE A 90 ? 10.99553 19.58770 39.14824 1.000 17.16566 H ? A ? 89 HB 1
   ATOM 2520 HG12 . ILE A 90 ? 12.06220 21.63870 39.72811 1.000 21.21947 H ? A ? 89 HG12 1
   ATOM 2521 HG13 . ILE A 90 ? 10.48388 21.72564 39.89178 1.000 21.21947 H ? A ? 89 HG13 1
   ATOM 2522 HG21 . ILE A 90 ? 9.29239 19.84301 40.91594 1.000 22.58396 H ? A ? 89 HG21 1
   ATOM 2523 HG22 . ILE A 90 ? 9.73414 18.36383 40.54129 1.000 22.58396 H ? A ? 89 HG22 1
   ATOM 2524 HG23 . ILE A 90 ? 10.32963 19.06690 41.83534 1.000 22.58396 H ? A ? 89 HG23 1
   ATOM 2525 HD11 . ILE A 90 ? 11.55602 22.68851 41.61681 1.000 22.54585 H ? A ? 89 HD11 1
   ATOM 2526 HD12 . ILE A 90 ? 10.67787 21.45262 42.09111 1.000 22.54585 H ? A ? 89 HD12 1
   ATOM 2527 HD13 . ILE A 90 ? 12.25252 21.29963 41.94760 1.000 22.54585 H ? A ? 89 HD13 1
   ATOM 2528 H A ILE A 90 ? 13.02069 19.76287 38.55192 0.468 18.76816 H ? A ? 89 H 1
   ATOM 2529 H B ILE A 90 ? 13.07808 19.78135 38.53298 0.532 18.76816 H ? A ? 89 H 1
   ATOM 2530 N . VAL A 91 ? 12.18198 16.75309 39.41580 1.000 16.80634 N ? A ? 90 N 1
   ATOM 2531 CA . VAL A 91 ? 12.19307 15.26111 39.54267 1.000 17.01107 C ? A ? 90 CA 1
   ATOM 2532 C . VAL A 91 ? 13.39919 14.78461 40.26077 1.000 16.17454 C ? A ? 90 C 1
   ATOM 2533 O . VAL A 91 ? 13.31992 13.95104 41.20051 1.000 19.08547 O ? A ? 90 O 1
   ATOM 2534 CB . VAL A 91 ? 11.99294 14.61548 38.16197 1.000 16.32647 C ? A ? 90 CB 1
   ATOM 2535 CG1 . VAL A 91 ? 12.13748 13.11026 38.28366 1.000 18.39023 C ? A ? 90 CG1 1
   ATOM 2536 CG2 . VAL A 91 ? 10.71188 14.96618 37.60809 1.000 19.66690 C ? A ? 90 CG2 1
   ATOM 2537 H . VAL A 91 ? 12.05143 17.05102 38.61968 1.000 20.19876 H ? A ? 90 H 1
   ATOM 2538 HA . VAL A 91 ? 11.44284 14.98690 40.09301 1.000 20.44444 H ? A ? 90 HA 1
   ATOM 2539 HB . VAL A 91 ? 12.66935 14.94731 37.55103 1.000 19.62291 H ? A ? 90 HB 1
   ATOM 2540 HG11 . VAL A 91 ? 11.77526 12.69276 37.48654 1.000 22.09943 H ? A ? 90 HG11 1
   ATOM 2541 HG12 . VAL A 91 ? 13.07767 12.88961 38.37452 1.000 22.09943 H ? A ? 90 HG12 1
   ATOM 2542 HG13 . VAL A 91 ? 11.64977 12.80839 39.06590 1.000 22.09943 H ? A ? 90 HG13 1
   ATOM 2543 HG21 . VAL A 91 ? 10.62977 14.56984 36.72657 1.000 23.63143 H ? A ? 90 HG21 1
   ATOM 2544 HG22 . VAL A 91 ? 10.01309 14.62758 38.18941 1.000 23.63143 H ? A ? 90 HG22 1
   ATOM 2545 HG23 . VAL A 91 ? 10.64941 15.93202 37.54363 1.000 23.63143 H ? A ? 90 HG23 1
   ATOM 2546 N . LYS A 92 ? 14.52729 15.30301 39.98476 1.000 16.49030 N ? A ? 91 N 1
   ATOM 2547 CA . LYS A 92 ? 15.78964 14.85784 40.64227 1.000 17.67216 C ? A ? 91 CA 1
   ATOM 2548 C . LYS A 92 ? 15.80145 15.26530 42.10875 1.000 18.69629 C ? A ? 91 C 1
   ATOM 2549 O . LYS A 92 ? 16.26204 14.52322 42.99391 1.000 18.05574 O ? A ? 91 O 1
   ATOM 2550 H . LYS A 92 ? 14.64267 15.93392 39.41184 1.000 19.81952 H ? A ? 91 H 1
   ATOM 2551 HA . LYS A 92 ? 15.83330 13.89267 40.55600 1.000 21.23775 H ? A ? 91 HA 1
   ATOM 2552 CB A LYS A 92 ? 17.01398 15.42161 39.97567 0.501 19.80472 C ? A ? 91 CB 1
   ATOM 2553 CG A LYS A 92 ? 17.29726 14.81608 38.69328 0.501 15.64287 C ? A ? 91 CG 1
   ATOM 2554 CD A LYS A 92 ? 18.45129 15.49131 37.91329 0.501 17.40958 C ? A ? 91 CD 1
   ATOM 2555 CE A LYS A 92 ? 19.62134 15.91254 38.60938 0.501 15.51150 C ? A ? 91 CE 1
   ATOM 2556 NZ A LYS A 92 ? 19.42158 17.31071 39.13519 0.501 17.95988 N ? A ? 91 NZ 1
   ATOM 2557 HB2 A LYS A 92 ? 16.88423 16.37243 39.83419 0.501 23.79682 H ? A ? 91 HB2 1
   ATOM 2558 HB3 A LYS A 92 ? 17.78064 15.27341 40.55115 0.501 23.79682 H ? A ? 91 HB3 1
   ATOM 2559 HG2 A LYS A 92 ? 17.54245 13.88833 38.83493 0.501 18.80260 H ? A ? 91 HG2 1
   ATOM 2560 HG3 A LYS A 92 ? 16.50079 14.86830 38.14210 0.501 18.80260 H ? A ? 91 HG3 1
   ATOM 2561 HD2 A LYS A 92 ? 18.75110 14.86281 37.23801 0.501 20.92265 H ? A ? 91 HD2 1
   ATOM 2562 HD3 A LYS A 92 ? 18.08906 16.28535 37.48998 0.501 20.92265 H ? A ? 91 HD3 1
   ATOM 2563 HE2 A LYS A 92 ? 19.79027 15.31820 39.35713 0.501 18.64496 H ? A ? 91 HE2 1
   ATOM 2564 HE3 A LYS A 92 ? 20.38081 15.91070 38.00597 0.501 18.64496 H ? A ? 91 HE3 1
   ATOM 2565 HZ1 A LYS A 92 ? 19.71431 17.36523 39.97390 0.501 21.58301 H ? A ? 91 HZ1 1
   ATOM 2566 HZ2 A LYS A 92 ? 19.87208 17.89178 38.63369 0.501 21.58301 H ? A ? 91 HZ2 1
   ATOM 2567 HZ3 A LYS A 92 ? 18.55730 17.52233 39.11660 0.501 21.58301 H ? A ? 91 HZ3 1
   ATOM 2568 CB B LYS A 92 ? 17.00913 15.30659 39.91697 0.499 19.14391 C ? A ? 91 CB 1
   ATOM 2569 CG B LYS A 92 ? 18.25240 14.62550 40.46794 0.499 23.87253 C ? A ? 91 CG 1
   ATOM 2570 CD B LYS A 92 ? 19.34271 14.89348 39.49380 0.499 19.52099 C ? A ? 91 CD 1
   ATOM 2571 CE B LYS A 92 ? 19.49423 16.41274 39.28715 0.499 32.18109 C ? A ? 91 CE 1
   ATOM 2572 NZ B LYS A 92 ? 20.79754 16.71800 38.61082 0.499 48.04325 N ? A ? 91 NZ 1
   ATOM 2573 HB2 B LYS A 92 ? 16.92615 15.08205 38.97697 0.499 23.00385 H ? A ? 91 HB2 1
   ATOM 2574 HB3 B LYS A 92 ? 17.11171 16.26551 40.02120 0.499 23.00385 H ? A ? 91 HB3 1
   ATOM 2575 HG2 B LYS A 92 ? 18.48906 14.99614 41.33253 0.499 28.67819 H ? A ? 91 HG2 1
   ATOM 2576 HG3 B LYS A 92 ? 18.11119 13.66889 40.54448 0.499 28.67819 H ? A ? 91 HG3 1
   ATOM 2577 HD2 B LYS A 92 ? 20.17976 14.53948 39.83283 0.499 23.45635 H ? A ? 91 HD2 1
   ATOM 2578 HD3 B LYS A 92 ? 19.12950 14.48220 38.64157 0.499 23.45635 H ? A ? 91 HD3 1
   ATOM 2579 HE2 B LYS A 92 ? 18.77122 16.73929 38.72900 0.499 38.64847 H ? A ? 91 HE2 1
   ATOM 2580 HE3 B LYS A 92 ? 19.47836 16.86162 40.14689 0.499 38.64847 H ? A ? 91 HE3 1
   ATOM 2581 HZ1 B LYS A 92 ? 20.81815 17.57197 38.36098 0.499 57.68306 H ? A ? 91 HZ1 1
   ATOM 2582 HZ2 B LYS A 92 ? 21.47350 16.56393 39.16888 0.499 57.68306 H ? A ? 91 HZ2 1
   ATOM 2583 HZ3 B LYS A 92 ? 20.89455 16.20399 37.89077 0.499 57.68306 H ? A ? 91 HZ3 1
   ATOM 2584 N A LEU A 93 ? 14.93742 16.29449 42.39199 0.451 15.35692 N ? A ? 92 N 1
   ATOM 2585 CA A LEU A 93 ? 14.74177 16.72047 43.76334 0.451 15.85804 C ? A ? 92 CA 1
   ATOM 2586 C A LEU A 93 ? 13.73049 15.82984 44.48387 0.451 15.17329 C ? A ? 92 C 1
   ATOM 2587 O A LEU A 93 ? 14.00617 15.36871 45.61330 0.451 14.43395 O ? A ? 92 O 1
   ATOM 2588 CB A LEU A 93 ? 14.32397 18.19851 43.76469 0.451 12.82357 C ? A ? 92 CB 1
   ATOM 2589 CG A LEU A 93 ? 14.17172 18.76040 45.22973 0.451 13.31955 C ? A ? 92 CG 1
   ATOM 2590 CD1 A LEU A 93 ? 15.46585 18.78542 46.10489 0.451 13.83307 C ? A ? 92 CD1 1
   ATOM 2591 CD2 A LEU A 93 ? 13.58957 20.16980 45.18000 0.451 12.95357 C ? A ? 92 CD2 1
   ATOM 2592 H A LEU A 93 ? 14.48012 16.73104 41.80898 0.451 18.45946 H ? A ? 92 H 1
   ATOM 2593 HA A LEU A 93 ? 15.57139 16.64644 44.26048 0.451 19.06080 H ? A ? 92 HA 1
   ATOM 2594 HB2 A LEU A 93 ? 14.99979 18.72151 43.30574 0.451 15.41944 H ? A ? 92 HB2 1
   ATOM 2595 HB3 A LEU A 93 ? 13.47057 18.28924 43.31260 0.451 15.41944 H ? A ? 92 HB3 1
   ATOM 2596 HG A LEU A 93 ? 13.58200 18.13225 45.67534 0.451 16.01462 H ? A ? 92 HG 1
   ATOM 2597 HD11 A LEU A 93 ? 15.26725 19.21815 46.95000 0.451 16.63084 H ? A ? 92 HD11 1
   ATOM 2598 HD12 A LEU A 93 ? 15.75931 17.87412 46.26082 0.451 16.63084 H ? A ? 92 HD12 1
   ATOM 2599 HD13 A LEU A 93 ? 16.15568 19.27917 45.63452 0.451 16.63084 H ? A ? 92 HD13 1
   ATOM 2600 HD21 A LEU A 93 ? 13.48610 20.50088 46.08586 0.451 15.57545 H ? A ? 92 HD21 1
   ATOM 2601 HD22 A LEU A 93 ? 14.19460 20.74410 44.68501 0.451 15.57545 H ? A ? 92 HD22 1
   ATOM 2602 HD23 A LEU A 93 ? 12.72652 20.13960 44.73826 0.451 15.57545 H ? A ? 92 HD23 1
   ATOM 2603 N B LEU A 93 ? 15.43359 16.52587 42.50634 0.549 16.54247 N ? A ? 92 N 1
   ATOM 2604 CA B LEU A 93 ? 15.38372 16.90816 43.93540 0.549 13.89924 C ? A ? 92 CA 1
   ATOM 2605 C B LEU A 93 ? 14.43220 15.98466 44.70188 0.549 13.73727 C ? A ? 92 C 1
   ATOM 2606 O B LEU A 93 ? 14.68995 15.62124 45.85049 0.549 15.07092 O ? A ? 92 O 1
   ATOM 2607 CB B LEU A 93 ? 14.92582 18.39103 43.98922 0.549 13.60622 C ? A ? 92 CB 1
   ATOM 2608 CG B LEU A 93 ? 14.87566 18.95884 45.35452 0.549 16.31507 C ? A ? 92 CG 1
   ATOM 2609 CD1 B LEU A 93 ? 16.21596 19.10321 45.89750 0.549 16.85203 C ? A ? 92 CD1 1
   ATOM 2610 CD2 B LEU A 93 ? 14.27214 20.38460 45.40511 0.549 18.27711 C ? A ? 92 CD2 1
   ATOM 2611 H B LEU A 93 ? 15.21366 17.16041 41.96913 0.549 19.88212 H ? A ? 92 H 1
   ATOM 2612 HA B LEU A 93 ? 16.25069 16.82960 44.36329 0.549 16.71025 H ? A ? 92 HA 1
   ATOM 2613 HB2 B LEU A 93 ? 15.54616 18.92588 43.46958 0.549 16.35862 H ? A ? 92 HB2 1
   ATOM 2614 HB3 B LEU A 93 ? 14.03515 18.45418 43.61024 0.549 16.35862 H ? A ? 92 HB3 1
   ATOM 2615 HG B LEU A 93 ? 14.32508 18.34497 45.86532 0.549 19.60925 H ? A ? 92 HG 1
   ATOM 2616 HD11 B LEU A 93 ? 16.17164 19.62663 46.71296 0.549 20.25359 H ? A ? 92 HD11 1
   ATOM 2617 HD12 B LEU A 93 ? 16.57577 18.22292 46.08862 0.549 20.25359 H ? A ? 92 HD12 1
   ATOM 2618 HD13 B LEU A 93 ? 16.77419 19.55419 45.24490 0.549 20.25359 H ? A ? 92 HD13 1
   ATOM 2619 HD21 B LEU A 93 ? 14.21776 20.67188 46.32999 0.549 21.96369 H ? A ? 92 HD21 1
   ATOM 2620 HD22 B LEU A 93 ? 14.84386 20.98749 44.90454 0.549 21.96369 H ? A ? 92 HD22 1
   ATOM 2621 HD23 B LEU A 93 ? 13.38567 20.36643 45.01172 0.549 21.96369 H ? A ? 92 HD23 1
   ATOM 2622 N A SER A 94 ? 12.61987 15.47499 43.83083 0.451 13.45182 N ? A ? 93 N 1
   ATOM 2623 CA A SER A 94 ? 11.73079 14.46892 44.37245 0.451 15.50189 C ? A ? 93 CA 1
   ATOM 2624 C A SER A 94 ? 12.47768 13.15717 44.66941 0.451 17.51743 C ? A ? 93 C 1
   ATOM 2625 O A SER A 94 ? 12.13836 12.50188 45.66835 0.451 16.44009 O ? A ? 93 O 1
   ATOM 2626 CB A SER A 94 ? 10.49704 14.21841 43.46928 0.451 15.06580 C ? A ? 93 CB 1
   ATOM 2627 OG A SER A 94 ? 9.63836 15.38526 43.53973 0.451 16.01881 O ? A ? 93 OG 1
   ATOM 2628 H A SER A 94 ? 12.36693 15.80418 43.07767 0.451 16.17334 H ? A ? 93 H 1
   ATOM 2629 HA A SER A 94 ? 11.37619 14.81410 45.20673 0.451 18.63343 H ? A ? 93 HA 1
   ATOM 2630 HB2 A SER A 94 ? 10.78584 14.08089 42.55354 0.451 18.11012 H ? A ? 93 HB2 1
   ATOM 2631 HB3 A SER A 94 ? 10.01433 13.43875 43.78555 0.451 18.11012 H ? A ? 93 HB3 1
   ATOM 2632 HG A SER A 94 ? 10.06803 16.07199 43.31752 0.451 19.25372 H ? A ? 93 HG 1
   ATOM 2633 N B SER A 94 ? 13.30845 15.60778 44.09040 0.549 14.82609 N ? A ? 93 N 1
   ATOM 2634 CA B SER A 94 ? 12.37152 14.69934 44.72874 0.549 15.52146 C ? A ? 93 CA 1
   ATOM 2635 C B SER A 94 ? 13.00333 13.33694 44.96672 0.549 15.58996 C ? A ? 93 C 1
   ATOM 2636 O B SER A 94 ? 12.79058 12.68106 45.96976 0.549 15.13910 O ? A ? 93 O 1
   ATOM 2637 CB B SER A 94 ? 11.16472 14.47245 43.79237 0.549 16.07597 C ? A ? 93 CB 1
   ATOM 2638 OG B SER A 94 ? 10.33139 15.63646 43.58380 0.549 20.16792 O ? A ? 93 OG 1
   ATOM 2639 H B SER A 94 ? 13.06895 15.86607 43.30584 0.549 17.82246 H ? A ? 93 H 1
   ATOM 2640 HA B SER A 94 ? 12.09561 15.09577 45.56994 0.549 18.65691 H ? A ? 93 HA 1
   ATOM 2641 HB2 B SER A 94 ? 11.50422 14.18828 42.92930 0.549 19.32232 H ? A ? 93 HB2 1
   ATOM 2642 HB3 B SER A 94 ? 10.61307 13.77408 44.17818 0.549 19.32232 H ? A ? 93 HB3 1
   ATOM 2643 HG B SER A 94 ? 10.78200 16.25362 43.23499 0.549 24.23266 H ? A ? 93 HG 1
   ATOM 2644 N . ALA A 95 ? 13.60897 12.80695 43.89849 1.000 16.61483 N ? A ? 94 N 1
   ATOM 2645 CA . ALA A 95 ? 14.33330 11.52550 44.08135 1.000 17.10257 C ? A ? 94 CA 1
   ATOM 2646 C . ALA A 95 ? 15.26690 11.62383 45.20657 1.000 18.27838 C ? A ? 94 C 1
   ATOM 2647 O . ALA A 95 ? 15.33047 10.73988 46.08102 1.000 18.64423 O ? A ? 94 O 1
   ATOM 2648 CB . ALA A 95 ? 15.08608 11.19742 42.79838 1.000 21.26601 C ? A ? 94 CB 1
   ATOM 2649 HA . ALA A 95 ? 13.70488 10.80963 44.26443 1.000 20.55424 H ? A ? 94 HA 1
   ATOM 2650 HB1 . ALA A 95 ? 15.59405 10.38163 42.93009 1.000 25.55037 H ? A ? 94 HB1 1
   ATOM 2651 HB2 . ALA A 95 ? 14.44658 11.07641 42.07915 1.000 25.55037 H ? A ? 94 HB2 1
   ATOM 2652 HB3 . ALA A 95 ? 15.68581 11.93019 42.58794 1.000 25.55037 H ? A ? 94 HB3 1
   ATOM 2653 H A ALA A 95 ? 13.94609 13.30468 43.28350 0.451 19.96895 H ? A ? 94 H 1
   ATOM 2654 H B ALA A 95 ? 13.61990 13.14032 43.10581 0.549 19.96895 H ? A ? 94 H 1
   ATOM 2655 N . ALA A 96 ? 15.96545 12.69351 45.38794 1.000 17.03362 N ? A ? 95 N 1
   ATOM 2656 CA . ALA A 96 ? 16.86912 12.89994 46.48060 1.000 18.04451 C ? A ? 95 CA 1
   ATOM 2657 C . ALA A 96 ? 16.12096 12.93289 47.80181 1.000 18.80429 C ? A ? 95 C 1
   ATOM 2658 O . ALA A 96 ? 16.59693 12.29944 48.81620 1.000 20.44012 O ? A ? 95 O 1
   ATOM 2659 CB . ALA A 96 ? 17.69322 14.15649 46.35320 1.000 19.93330 C ? A ? 95 CB 1
   ATOM 2660 H . ALA A 96 ? 15.93904 13.37049 44.85822 1.000 20.47150 H ? A ? 95 H 1
   ATOM 2661 HA . ALA A 96 ? 17.49256 12.15720 46.45684 1.000 21.68457 H ? A ? 95 HA 1
   ATOM 2662 HB1 . ALA A 96 ? 18.24340 14.25505 47.14597 1.000 23.95112 H ? A ? 95 HB1 1
   ATOM 2663 HB2 . ALA A 96 ? 18.25625 14.08647 45.56644 1.000 23.95112 H ? A ? 95 HB2 1
   ATOM 2664 HB3 . ALA A 96 ? 17.09773 14.91733 46.26716 1.000 23.95112 H ? A ? 95 HB3 1
   ATOM 2665 N . ALA A 97 ? 14.99252 13.68616 47.86354 1.000 18.74724 N ? A ? 96 N 1
   ATOM 2666 CA . ALA A 97 ? 14.21514 13.72947 49.09103 1.000 17.06103 C ? A ? 96 CA 1
   ATOM 2667 C . ALA A 97 ? 13.62076 12.36648 49.42567 1.000 21.36391 C ? A ? 96 C 1
   ATOM 2668 O . ALA A 97 ? 13.56191 11.99667 50.60557 1.000 21.12031 O ? A ? 96 O 1
   ATOM 2669 CB . ALA A 97 ? 13.11309 14.76458 48.89881 1.000 20.93146 C ? A ? 96 CB 1
   ATOM 2670 H . ALA A 97 ? 14.67864 14.16125 47.21905 1.000 22.52784 H ? A ? 96 H 1
   ATOM 2671 HA . ALA A 97 ? 14.77888 13.98304 49.83856 1.000 20.50439 H ? A ? 96 HA 1
   ATOM 2672 HB1 . ALA A 97 ? 12.57612 14.80767 49.70547 1.000 25.14890 H ? A ? 96 HB1 1
   ATOM 2673 HB2 . ALA A 97 ? 13.51821 15.62853 48.72458 1.000 25.14890 H ? A ? 96 HB2 1
   ATOM 2674 HB3 . ALA A 97 ? 12.55990 14.50097 48.14689 1.000 25.14890 H ? A ? 96 HB3 1
   ATOM 2675 N A ASP A 98 ? 13.23243 11.59049 48.44642 0.433 20.64932 N ? A ? 97 N 1
   ATOM 2676 CA A ASP A 98 ? 12.79198 10.23848 48.74719 0.433 22.49763 C ? A ? 97 CA 1
   ATOM 2677 C A ASP A 98 ? 13.95493 9.35107 49.24868 0.433 19.40279 C ? A ? 97 C 1
   ATOM 2678 O A ASP A 98 ? 13.74230 8.49060 50.12045 0.433 16.54811 O ? A ? 97 O 1
   ATOM 2679 CB A ASP A 98 ? 12.05708 9.72630 47.49285 0.433 21.98321 C ? A ? 97 CB 1
   ATOM 2680 CG A ASP A 98 ? 10.78353 10.60917 47.07721 0.433 25.51564 C ? A ? 97 CG 1
   ATOM 2681 OD1 A ASP A 98 ? 10.43125 11.63768 47.75886 0.433 19.02618 O ? A ? 97 OD1 1
   ATOM 2682 OD2 A ASP A 98 ? 10.19560 10.28107 45.98159 0.433 27.32225 O ? A ? 97 OD2 1
   ATOM 2683 H A ASP A 98 ? 13.21147 11.80893 47.61489 0.433 24.81034 H ? A ? 97 H 1
   ATOM 2684 HA A ASP A 98 ? 12.15919 10.20052 49.48138 0.433 27.02831 H ? A ? 97 HA 1
   ATOM 2685 HB2 A ASP A 98 ? 12.67569 9.73134 46.74573 0.433 26.41100 H ? A ? 97 HB2 1
   ATOM 2686 HB3 A ASP A 98 ? 11.74710 8.82264 47.66083 0.433 26.41100 H ? A ? 97 HB3 1
   ATOM 2687 N B ASP A 98 ? 13.06517 11.69913 48.38663 0.567 19.72610 N ? A ? 97 N 1
   ATOM 2688 CA B ASP A 98 ? 12.41191 10.40228 48.51837 0.567 20.40543 C ? A ? 97 CA 1
   ATOM 2689 C B ASP A 98 ? 13.40188 9.35580 49.04089 0.567 20.04107 C ? A ? 97 C 1
   ATOM 2690 O B ASP A 98 ? 12.92299 8.41649 49.70606 0.567 22.80496 O ? A ? 97 O 1
   ATOM 2691 CB B ASP A 98 ? 11.69344 9.86796 47.25833 0.567 20.50170 C ? A ? 97 CB 1
   ATOM 2692 CG B ASP A 98 ? 10.38096 10.60719 46.91275 0.567 24.94902 C ? A ? 97 CG 1
   ATOM 2693 OD1 B ASP A 98 ? 9.82215 11.33234 47.74193 0.567 20.85784 O ? A ? 97 OD1 1
   ATOM 2694 OD2 B ASP A 98 ? 9.89548 10.40682 45.77274 0.567 24.97566 O ? A ? 97 OD2 1
   ATOM 2695 H B ASP A 98 ? 13.05949 11.99400 47.57878 0.567 23.70247 H ? A ? 97 H 1
   ATOM 2696 HA B ASP A 98 ? 11.67728 10.53905 49.13684 0.567 24.51767 H ? A ? 97 HA 1
   ATOM 2697 HB2 B ASP A 98 ? 12.29012 9.95915 46.49902 0.567 24.63320 H ? A ? 97 HB2 1
   ATOM 2698 HB3 B ASP A 98 ? 11.47544 8.93324 47.39858 0.567 24.63320 H ? A ? 97 HB3 1
   ATOM 2699 N A ALA A 99 ? 15.20109 9.62880 48.85632 0.433 14.97302 N ? A ? 98 N 1
   ATOM 2700 CA A ALA A 99 ? 16.30720 8.77627 49.28138 0.433 20.01572 C ? A ? 98 CA 1
   ATOM 2701 C A ALA A 99 ? 16.79197 9.15143 50.66348 0.433 24.96608 C ? A ? 98 C 1
   ATOM 2702 O A ALA A 99 ? 17.61834 8.40796 51.29599 0.433 17.26974 O ? A ? 98 O 1
   ATOM 2703 CB A ALA A 99 ? 17.40774 8.87372 48.24529 0.433 24.10040 C ? A ? 98 CB 1
   ATOM 2704 H A ALA A 99 ? 15.42423 10.29104 48.35508 0.433 17.99878 H ? A ? 98 H 1
   ATOM 2705 HA A ALA A 99 ? 16.04540 7.84329 49.32502 0.433 24.05003 H ? A ? 98 HA 1
   ATOM 2706 HB1 A ALA A 99 ? 18.16434 8.34154 48.53724 0.433 28.95163 H ? A ? 98 HB1 1
   ATOM 2707 HB2 A ALA A 99 ? 17.07463 8.53836 47.39826 0.433 28.95163 H ? A ? 98 HB2 1
   ATOM 2708 HB3 A ALA A 99 ? 17.67262 9.80221 48.15231 0.433 28.95163 H ? A ? 98 HB3 1
   ATOM 2709 N B ALA A 99 ? 14.73761 9.57488 48.86129 0.567 22.95059 N ? A ? 98 N 1
   ATOM 2710 CA B ALA A 99 ? 15.83818 8.70639 49.26315 0.567 26.51816 C ? A ? 98 CA 1
   ATOM 2711 C B ALA A 99 ? 16.37450 9.02051 50.64358 0.567 26.13948 C ? A ? 98 C 1
   ATOM 2712 O B ALA A 99 ? 16.87920 8.10596 51.27161 0.567 23.11723 O ? A ? 98 O 1
   ATOM 2713 CB B ALA A 99 ? 16.95772 8.70954 48.21492 0.567 23.29836 C ? A ? 98 CB 1
   ATOM 2714 H B ALA A 99 ? 15.03733 10.28277 48.47572 0.567 27.57186 H ? A ? 98 H 1
   ATOM 2715 HA B ALA A 99 ? 15.51460 7.79254 49.29569 0.567 31.85294 H ? A ? 98 HA 1
   ATOM 2716 HB1 B ALA A 99 ? 17.67018 8.12214 48.51203 0.567 27.98919 H ? A ? 98 HB1 1
   ATOM 2717 HB2 B ALA A 99 ? 16.60013 8.39468 47.37000 0.567 27.98919 H ? A ? 98 HB2 1
   ATOM 2718 HB3 B ALA A 99 ? 17.29444 9.61374 48.11520 0.567 27.98919 H ? A ? 98 HB3 1
   ATOM 2719 N . GLY A 100 ? 16.21752 10.23911 51.20747 1.000 21.98656 N ? A ? 99 N 1
   ATOM 2720 CA . GLY A 100 ? 16.61707 10.60727 52.52083 1.000 20.25379 C ? A ? 99 CA 1
   ATOM 2721 C . GLY A 100 ? 18.06426 10.88416 52.70427 1.000 24.10245 C ? A ? 99 C 1
   ATOM 2722 O . GLY A 100 ? 18.59838 10.76759 53.80200 1.000 25.48314 O ? A ? 99 O 1
   ATOM 2723 HA2 . GLY A 100 ? 16.13280 11.40819 52.77561 1.000 24.33570 H ? A ? 99 HA2 1
   ATOM 2724 HA3 . GLY A 100 ? 16.37911 9.88816 53.12677 1.000 24.33570 H ? A ? 99 HA3 1
   ATOM 2725 H A GLY A 100 ? 15.62564 10.73894 50.83405 0.433 26.41503 H ? A ? 99 H 1
   ATOM 2726 H B GLY A 100 ? 15.85177 10.89920 50.79503 0.567 26.41503 H ? A ? 99 H 1
   ATOM 2727 N . ASP A 101 ? 18.71642 11.46814 51.72744 1.000 23.91672 N ? A ? 100 N 1
   ATOM 2728 CA . ASP A 101 ? 20.15239 11.69392 51.81400 1.000 24.41786 C ? A ? 100 CA 1
   ATOM 2729 C . ASP A 101 ? 20.46508 13.16417 51.61651 1.000 20.91967 C ? A ? 100 C 1
   ATOM 2730 O . ASP A 101 ? 20.22172 13.69294 50.50317 1.000 22.52497 O ? A ? 100 O 1
   ATOM 2731 CB . ASP A 101 ? 20.65639 10.86788 50.65929 1.000 30.43191 C ? A ? 100 CB 1
   ATOM 2732 CG . ASP A 101 ? 22.18848 10.87047 50.50061 1.000 42.12611 C ? A ? 100 CG 1
   ATOM 2733 OD1 . ASP A 101 ? 22.81619 11.94963 50.55008 1.000 32.38093 O ? A ? 100 OD1 1
   ATOM 2734 OD2 . ASP A 101 ? 22.78397 9.75943 50.37918 1.000 51.75922 O ? A ? 100 OD2 1
   ATOM 2735 H . ASP A 101 ? 18.35411 11.74609 50.99869 1.000 28.73122 H ? A ? 100 H 1
   ATOM 2736 HA . ASP A 101 ? 20.54321 11.47731 52.67495 1.000 29.33259 H ? A ? 100 HA 1
   ATOM 2737 HB2 . ASP A 101 ? 20.37635 9.94842 50.78993 1.000 36.54945 H ? A ? 100 HB2 1
   ATOM 2738 HB3 . ASP A 101 ? 20.27566 11.21718 49.83835 1.000 36.54945 H ? A ? 100 HB3 1
   ATOM 2739 N A LEU A 102 ? 20.97413 13.79146 52.64240 0.449 19.80445 N ? A ? 101 N 1
   ATOM 2740 CA A LEU A 102 ? 21.31094 15.20528 52.56492 0.449 24.13671 C ? A ? 101 CA 1
   ATOM 2741 C A LEU A 102 ? 22.23131 15.47270 51.36929 0.449 22.66946 C ? A ? 101 C 1
   ATOM 2742 O A LEU A 102 ? 22.02634 16.45345 50.70375 0.449 18.59577 O ? A ? 101 O 1
   ATOM 2743 CB A LEU A 102 ? 21.77288 15.74489 53.94234 0.449 21.12217 C ? A ? 101 CB 1
   ATOM 2744 CG A LEU A 102 ? 21.89624 17.21200 54.16445 0.449 19.64204 C ? A ? 101 CG 1
   ATOM 2745 CD1 A LEU A 102 ? 20.68320 17.98566 53.69554 0.449 20.33958 C ? A ? 101 CD1 1
   ATOM 2746 CD2 A LEU A 102 ? 22.14749 17.71579 55.64409 0.449 24.22640 C ? A ? 101 CD2 1
   ATOM 2747 H A LEU A 102 ? 21.13986 13.42980 53.40486 0.449 23.79649 H ? A ? 101 H 1
   ATOM 2748 HA A LEU A 102 ? 20.52547 15.74616 52.38773 0.449 28.99521 H ? A ? 101 HA 1
   ATOM 2749 HB2 A LEU A 102 ? 21.13876 15.42457 54.60279 0.449 25.37776 H ? A ? 101 HB2 1
   ATOM 2750 HB3 A LEU A 102 ? 22.65079 15.37102 54.11668 0.449 25.37776 H ? A ? 101 HB3 1
   ATOM 2751 HG A LEU A 102 ? 22.69416 17.39417 53.64384 0.449 23.60161 H ? A ? 101 HG 1
   ATOM 2752 HD11 A LEU A 102 ? 20.76803 18.90900 53.98039 0.449 24.43866 H ? A ? 101 HD11 1
   ATOM 2753 HD12 A LEU A 102 ? 20.63497 17.94115 52.72777 0.449 24.43866 H ? A ? 101 HD12 1
   ATOM 2754 HD13 A LEU A 102 ? 19.88715 17.59118 54.08490 0.449 24.43866 H ? A ? 101 HD13 1
   ATOM 2755 HD21 A LEU A 102 ? 22.09553 18.68425 55.66106 0.449 29.10284 H ? A ? 101 HD21 1
   ATOM 2756 HD22 A LEU A 102 ? 21.46943 17.33792 56.22577 0.449 29.10284 H ? A ? 101 HD22 1
   ATOM 2757 HD23 A LEU A 102 ? 23.02786 17.42670 55.93092 0.449 29.10284 H ? A ? 101 HD23 1
   ATOM 2758 N B LEU A 102 ? 20.99152 13.81540 52.66160 0.551 20.16230 N ? A ? 101 N 1
   ATOM 2759 CA B LEU A 102 ? 21.19923 15.29091 52.72438 0.551 22.29476 C ? A ? 101 CA 1
   ATOM 2760 C B LEU A 102 ? 22.32382 15.74207 51.80542 0.551 16.62026 C ? A ? 101 C 1
   ATOM 2761 O B LEU A 102 ? 22.25040 16.81314 51.15885 0.551 17.92180 O ? A ? 101 O 1
   ATOM 2762 CB B LEU A 102 ? 21.49191 15.75683 54.17798 0.551 21.78930 C ? A ? 101 CB 1
   ATOM 2763 CG B LEU A 102 ? 21.77840 17.21999 54.35066 0.551 20.75988 C ? A ? 101 CG 1
   ATOM 2764 CD1 B LEU A 102 ? 20.62289 18.19568 53.99262 0.551 18.52825 C ? A ? 101 CD1 1
   ATOM 2765 CD2 B LEU A 102 ? 22.15141 17.68306 55.79132 0.551 23.11416 C ? A ? 101 CD2 1
   ATOM 2766 H B LEU A 102 ? 21.25078 13.42213 53.38113 0.551 24.22592 H ? A ? 101 H 1
   ATOM 2767 HA B LEU A 102 ? 20.37508 15.71570 52.43937 0.551 26.78487 H ? A ? 101 HA 1
   ATOM 2768 HB2 B LEU A 102 ? 20.71814 15.54849 54.72458 0.551 26.17832 H ? A ? 101 HB2 1
   ATOM 2769 HB3 B LEU A 102 ? 22.26699 15.27156 54.50149 0.551 26.17832 H ? A ? 101 HB3 1
   ATOM 2770 HG B LEU A 102 ? 22.52355 17.28400 53.73297 0.551 24.94302 H ? A ? 101 HG 1
   ATOM 2771 HD11 B LEU A 102 ? 20.91278 19.10520 54.16478 0.551 22.26506 H ? A ? 101 HD11 1
   ATOM 2772 HD12 B LEU A 102 ? 20.40081 18.09132 53.05417 0.551 22.26506 H ? A ? 101 HD12 1
   ATOM 2773 HD13 B LEU A 102 ? 19.85069 17.98529 54.54065 0.551 22.26506 H ? A ? 101 HD13 1
   ATOM 2774 HD21 B LEU A 102 ? 22.21778 18.65069 55.80475 0.551 27.76815 H ? A ? 101 HD21 1
   ATOM 2775 HD22 B LEU A 102 ? 21.46044 17.39033 56.40595 0.551 27.76815 H ? A ? 101 HD22 1
   ATOM 2776 HD23 B LEU A 102 ? 23.00275 17.28964 56.03899 0.551 27.76815 H ? A ? 101 HD23 1
   ATOM 2777 N A ASP A 103 ? 23.19969 14.56298 51.00543 0.449 18.38415 N ? A ? 102 N 1
   ATOM 2778 CA A ASP A 103 ? 24.16187 14.93968 49.94528 0.449 15.67995 C ? A ? 102 CA 1
   ATOM 2779 C A ASP A 103 ? 23.48496 14.97923 48.59368 0.449 17.61392 C ? A ? 102 C 1
   ATOM 2780 O A ASP A 103 ? 23.76419 15.88152 47.78310 0.449 15.28207 O ? A ? 102 O 1
   ATOM 2781 CB A ASP A 103 ? 25.32843 13.92659 49.86660 0.449 18.42180 C ? A ? 102 CB 1
   ATOM 2782 CG A ASP A 103 ? 26.28878 13.98839 51.07218 0.449 28.84625 C ? A ? 102 CG 1
   ATOM 2783 OD1 A ASP A 103 ? 26.55312 15.07735 51.53805 0.449 27.19563 O ? A ? 102 OD1 1
   ATOM 2784 OD2 A ASP A 103 ? 26.97300 12.97536 51.38083 0.449 27.99408 O ? A ? 102 OD2 1
   ATOM 2785 H A ASP A 103 ? 23.30266 13.77833 51.34205 0.449 22.09213 H ? A ? 102 H 1
   ATOM 2786 HA A ASP A 103 ? 24.51506 15.81398 50.17276 0.449 18.84709 H ? A ? 102 HA 1
   ATOM 2787 HB2 A ASP A 103 ? 24.96086 13.02979 49.82726 0.449 22.13732 H ? A ? 102 HB2 1
   ATOM 2788 HB3 A ASP A 103 ? 25.84619 14.10831 49.06673 0.449 22.13732 H ? A ? 102 HB3 1
   ATOM 2789 N B ASP A 103 ? 23.32811 14.86845 51.59329 0.551 18.14304 N ? A ? 102 N 1
   ATOM 2790 CA B ASP A 103 ? 24.35901 15.22288 50.62112 0.551 16.25622 C ? A ? 102 CA 1
   ATOM 2791 C B ASP A 103 ? 23.75721 15.32999 49.20296 0.551 18.30999 C ? A ? 102 C 1
   ATOM 2792 O B ASP A 103 ? 24.01722 16.30313 48.48602 0.551 17.94378 O ? A ? 102 O 1
   ATOM 2793 CB B ASP A 103 ? 25.58643 14.30631 50.73909 0.551 18.25991 C ? A ? 102 CB 1
   ATOM 2794 CG B ASP A 103 ? 26.78168 14.93711 50.08865 0.551 25.72660 C ? A ? 102 CG 1
   ATOM 2795 OD1 B ASP A 103 ? 27.01172 16.14288 50.35880 0.551 28.04248 O ? A ? 102 OD1 1
   ATOM 2796 OD2 B ASP A 103 ? 27.41109 14.23161 49.26091 0.551 36.87330 O ? A ? 102 OD2 1
   ATOM 2797 H B ASP A 103 ? 23.42358 14.10727 51.98200 0.551 21.80280 H ? A ? 102 H 1
   ATOM 2798 HA B ASP A 103 ? 24.71641 16.10162 50.82357 0.551 19.53862 H ? A ? 102 HA 1
   ATOM 2799 HB2 B ASP A 103 ? 25.78869 14.15422 51.67550 0.551 21.94305 H ? A ? 102 HB2 1
   ATOM 2800 HB3 B ASP A 103 ? 25.40421 13.46202 50.29766 0.551 21.94305 H ? A ? 102 HB3 1
   ATOM 2801 N A LYS A 104 ? 22.60827 14.00825 48.32501 0.449 17.43785 N ? A ? 103 N 1
   ATOM 2802 CA A LYS A 104 ? 21.85276 14.04426 47.11451 0.449 17.27139 C ? A ? 103 CA 1
   ATOM 2803 C A LYS A 104 ? 20.86377 15.21019 47.16048 0.449 19.26827 C ? A ? 103 C 1
   ATOM 2804 O A LYS A 104 ? 20.61378 15.79286 46.06566 0.449 18.85608 O ? A ? 103 O 1
   ATOM 2805 CB A LYS A 104 ? 21.13633 12.75410 46.94356 0.449 27.47545 C ? A ? 103 CB 1
   ATOM 2806 CG A LYS A 104 ? 22.04144 11.53902 47.06707 0.449 33.79459 C ? A ? 103 CG 1
   ATOM 2807 CD A LYS A 104 ? 21.12077 10.31333 47.07268 0.449 40.16055 C ? A ? 103 CD 1
   ATOM 2808 CE A LYS A 104 ? 21.84918 9.05353 47.52282 0.449 44.73059 C ? A ? 103 CE 1
   ATOM 2809 NZ A LYS A 104 ? 20.93389 7.92322 47.98219 0.449 42.62759 N ? A ? 103 NZ 1
   ATOM 2810 H A LYS A 104 ? 22.44689 13.33297 48.83250 0.449 20.95658 H ? A ? 103 H 1
   ATOM 2811 HA A LYS A 104 ? 22.43699 14.15899 46.34874 0.449 20.75682 H ? A ? 103 HA 1
   ATOM 2812 HB2 A LYS A 104 ? 20.45000 12.68440 47.62547 0.449 33.00169 H ? A ? 103 HB2 1
   ATOM 2813 HB3 A LYS A 104 ? 20.73151 12.73520 46.06228 0.449 33.00169 H ? A ? 103 HB3 1
   ATOM 2814 HG2 A LYS A 104 ? 22.64792 11.48788 46.31177 0.449 40.58466 H ? A ? 103 HG2 1
   ATOM 2815 HG3 A LYS A 104 ? 22.54517 11.57231 47.89535 0.449 40.58466 H ? A ? 103 HG3 1
   ATOM 2816 HD2 A LYS A 104 ? 20.38327 10.47078 47.68277 0.449 48.22381 H ? A ? 103 HD2 1
   ATOM 2817 HD3 A LYS A 104 ? 20.78316 10.16351 46.17575 0.449 48.22381 H ? A ? 103 HD3 1
   ATOM 2818 HE2 A LYS A 104 ? 22.37666 8.71907 46.78066 0.449 53.70786 H ? A ? 103 HE2 1
   ATOM 2819 HE3 A LYS A 104 ? 22.42921 9.28036 48.26646 0.449 53.70786 H ? A ? 103 HE3 1
   ATOM 2820 HZ1 A LYS A 104 ? 21.41995 7.22383 48.24044 0.449 51.18427 H ? A ? 103 HZ1 1
   ATOM 2821 HZ2 A LYS A 104 ? 20.43354 8.19554 48.66600 0.449 51.18427 H ? A ? 103 HZ2 1
   ATOM 2822 HZ3 A LYS A 104 ? 20.40018 7.67356 47.31516 0.449 51.18427 H ? A ? 103 HZ3 1
   ATOM 2823 N B LYS A 104 ? 22.88243 14.39217 48.79478 0.551 17.79599 N ? A ? 103 N 1
   ATOM 2824 CA B LYS A 104 ? 22.24956 14.36800 47.46239 0.551 21.20686 C ? A ? 103 CA 1
   ATOM 2825 C B LYS A 104 ? 21.19253 15.48287 47.34391 0.551 20.42714 C ? A ? 103 C 1
   ATOM 2826 O B LYS A 104 ? 21.09680 16.17018 46.35162 0.551 18.25925 O ? A ? 103 O 1
   ATOM 2827 CB B LYS A 104 ? 21.48849 13.05477 47.23130 0.551 20.94376 C ? A ? 103 CB 1
   ATOM 2828 CG B LYS A 104 ? 22.32758 11.76367 46.73717 0.551 31.81660 C ? A ? 103 CG 1
   ATOM 2829 CD B LYS A 104 ? 21.35454 10.50461 46.57567 0.551 40.48619 C ? A ? 103 CD 1
   ATOM 2830 CE B LYS A 104 ? 22.11904 9.14419 46.42283 0.551 44.90438 C ? A ? 103 CE 1
   ATOM 2831 NZ B LYS A 104 ? 23.08410 9.21047 45.29715 0.551 42.71596 N ? A ? 103 NZ 1
   ATOM 2832 H B LYS A 104 ? 22.62867 13.73457 49.28749 0.551 21.38635 H ? A ? 103 H 1
   ATOM 2833 HA B LYS A 104 ? 22.96204 14.46658 46.81158 0.551 25.47939 H ? A ? 103 HA 1
   ATOM 2834 HB2 B LYS A 104 ? 21.06681 12.80727 48.06905 0.551 25.16367 H ? A ? 103 HB2 1
   ATOM 2835 HB3 B LYS A 104 ? 20.81236 13.22100 46.55595 0.551 25.16367 H ? A ? 103 HB3 1
   ATOM 2836 HG2 B LYS A 104 ? 22.73906 11.95049 45.87886 0.551 38.21107 H ? A ? 103 HG2 1
   ATOM 2837 HG3 B LYS A 104 ? 23.00968 11.54725 47.39200 0.551 38.21107 H ? A ? 103 HG3 1
   ATOM 2838 HD2 B LYS A 104 ? 20.78961 10.44119 47.36162 0.551 48.61459 H ? A ? 103 HD2 1
   ATOM 2839 HD3 B LYS A 104 ? 20.80843 10.62904 45.78372 0.551 48.61459 H ? A ? 103 HD3 1
   ATOM 2840 HE2 B LYS A 104 ? 22.60853 8.95367 47.23831 0.551 53.91642 H ? A ? 103 HE2 1
   ATOM 2841 HE3 B LYS A 104 ? 21.48381 8.43340 46.24344 0.551 53.91642 H ? A ? 103 HE3 1
   ATOM 2842 HZ1 B LYS A 104 ? 23.91717 9.16887 45.60756 0.551 51.29031 H ? A ? 103 HZ1 1
   ATOM 2843 HZ2 B LYS A 104 ? 22.94913 8.52968 44.74000 0.551 51.29031 H ? A ? 103 HZ2 1
   ATOM 2844 HZ3 B LYS A 104 ? 22.97976 9.97364 44.85129 0.551 51.29031 H ? A ? 103 HZ3 1
   ATOM 2845 N . LEU A 105 ? 20.45202 15.67255 48.40039 1.000 19.54409 N ? A ? 104 N 1
   ATOM 2846 CA . LEU A 105 ? 19.48323 16.76087 48.47415 1.000 17.96902 C ? A ? 104 CA 1
   ATOM 2847 C . LEU A 105 ? 20.20008 18.07479 48.17246 1.000 19.93281 C ? A ? 104 C 1
   ATOM 2848 O . LEU A 105 ? 19.71657 18.89127 47.37730 1.000 19.09017 O ? A ? 104 O 1
   ATOM 2849 CB . LEU A 105 ? 18.81591 16.79902 49.83155 1.000 20.72261 C ? A ? 104 CB 1
   ATOM 2850 CG . LEU A 105 ? 17.68826 17.85156 49.99787 1.000 20.61414 C ? A ? 104 CG 1
   ATOM 2851 CD1 . LEU A 105 ? 16.42058 17.18992 49.30998 1.000 20.09006 C ? A ? 104 CD1 1
   ATOM 2852 CD2 . LEU A 105 ? 17.46172 18.13535 51.43948 1.000 21.16961 C ? A ? 104 CD2 1
   ATOM 2853 HA . LEU A 105 ? 18.77427 16.61992 47.82731 1.000 21.59398 H ? A ? 104 HA 1
   ATOM 2854 HB2 . LEU A 105 ? 18.42481 15.92789 50.00208 1.000 24.89829 H ? A ? 104 HB2 1
   ATOM 2855 HB3 . LEU A 105 ? 19.49352 16.99458 50.49750 1.000 24.89829 H ? A ? 104 HB3 1
   ATOM 2856 HG . LEU A 105 ? 17.89267 18.70988 49.59488 1.000 24.76812 H ? A ? 104 HG 1
   ATOM 2857 HD11 . LEU A 105 ? 15.65929 17.78175 49.41520 1.000 24.13923 H ? A ? 104 HD11 1
   ATOM 2858 HD12 . LEU A 105 ? 16.60699 17.05510 48.36765 1.000 24.13923 H ? A ? 104 HD12 1
   ATOM 2859 HD13 . LEU A 105 ? 16.23860 16.33789 49.73638 1.000 24.13923 H ? A ? 104 HD13 1
   ATOM 2860 HD21 . LEU A 105 ? 16.70836 18.73997 51.52773 1.000 25.43469 H ? A ? 104 HD21 1
   ATOM 2861 HD22 . LEU A 105 ? 17.27304 17.30245 51.89946 1.000 25.43469 H ? A ? 104 HD22 1
   ATOM 2862 HD23 . LEU A 105 ? 18.25938 18.54448 51.80995 1.000 25.43469 H ? A ? 104 HD23 1
   ATOM 2863 H A LEU A 105 ? 20.72160 15.36958 49.15877 0.449 23.48407 H ? A ? 104 H 1
   ATOM 2864 H B LEU A 105 ? 20.48076 15.18453 49.10793 0.551 23.48407 H ? A ? 104 H 1
   ATOM 2865 N A ARG A 106 ? 21.37100 18.32296 48.78884 0.323 18.72297 N ? A ? 105 N 1
   ATOM 2866 CA A ARG A 106 ? 21.97329 19.63290 48.56731 0.323 16.75734 C ? A ? 105 CA 1
   ATOM 2867 C A ARG A 106 ? 22.44332 19.77980 47.12453 0.323 19.99263 C ? A ? 105 C 1
   ATOM 2868 O A ARG A 106 ? 22.43896 20.91506 46.59100 0.323 19.21943 O ? A ? 105 O 1
   ATOM 2869 CB A ARG A 106 ? 23.08599 19.94382 49.57428 0.323 25.19417 C ? A ? 105 CB 1
   ATOM 2870 CG A ARG A 106 ? 24.01078 18.88715 49.81512 0.323 30.26892 C ? A ? 105 CG 1
   ATOM 2871 CD A ARG A 106 ? 24.68595 19.21870 51.11182 0.323 28.21224 C ? A ? 105 CD 1
   ATOM 2872 NE A ARG A 106 ? 25.28225 20.53988 51.03491 0.323 28.18061 N ? A ? 105 NE 1
   ATOM 2873 CZ A ARG A 106 ? 26.53211 20.77685 50.66000 0.323 30.58995 C ? A ? 105 CZ 1
   ATOM 2874 NH1 A ARG A 106 ? 27.34329 19.81540 50.24046 0.323 31.43537 N ? A ? 105 NH1 1
   ATOM 2875 NH2 A ARG A 106 ? 26.99851 22.01608 50.72847 0.323 42.05210 N ? A ? 105 NH2 1
   ATOM 2876 H A ARG A 106 ? 21.80044 17.78304 49.30233 0.322 22.49872 H ? A ? 105 H 1
   ATOM 2877 HA A ARG A 106 ? 21.29871 20.30991 48.73313 0.322 20.13997 H ? A ? 105 HA 1
   ATOM 2878 HB2 A ARG A 106 ? 23.59352 20.70128 49.24327 0.322 30.26417 H ? A ? 105 HB2 1
   ATOM 2879 HB3 A ARG A 106 ? 22.67447 20.16607 50.42407 0.322 30.26417 H ? A ? 105 HB3 1
   ATOM 2880 HG2 A ARG A 106 ? 23.54771 18.03850 49.89418 0.322 36.35386 H ? A ? 105 HG2 1
   ATOM 2881 HG3 A ARG A 106 ? 24.66976 18.84060 49.10486 0.322 36.35386 H ? A ? 105 HG3 1
   ATOM 2882 HD2 A ARG A 106 ? 24.03483 19.21193 51.83079 0.322 33.88584 H ? A ? 105 HD2 1
   ATOM 2883 HD3 A ARG A 106 ? 25.38531 18.57101 51.29149 0.322 33.88584 H ? A ? 105 HD3 1
   ATOM 2884 HE A ARG A 106 ? 24.79222 21.21415 51.24663 0.322 33.84789 H ? A ? 105 HE 1
   ATOM 2885 HH11 A ARG A 106 ? 27.06422 19.00275 50.20412 0.322 37.75361 H ? A ? 105 HH11 1
   ATOM 2886 HH12 A ARG A 106 ? 28.14843 20.00452 50.00471 0.322 37.75361 H ? A ? 105 HH12 1
   ATOM 2887 HH21 A ARG A 106 ? 26.49258 22.65086 51.01253 0.322 50.49368 H ? A ? 105 HH21 1
   ATOM 2888 HH22 A ARG A 106 ? 27.80696 22.18511 50.48882 0.322 50.49368 H ? A ? 105 HH22 1
   ATOM 2889 N B ARG A 106 ? 21.34356 18.32140 48.80082 0.036 18.79318 N ? A ? 105 N 1
   ATOM 2890 CA B ARG A 106 ? 21.95281 19.62745 48.56587 0.036 17.03862 C ? A ? 105 CA 1
   ATOM 2891 C B ARG A 106 ? 22.44876 19.78092 47.12463 0.036 19.92804 C ? A ? 105 C 1
   ATOM 2892 O B ARG A 106 ? 22.45316 20.89789 46.59056 0.036 19.70606 O ? A ? 105 O 1
   ATOM 2893 CB B ARG A 106 ? 23.05817 19.91291 49.57276 0.036 24.42171 C ? A ? 105 CB 1
   ATOM 2894 CG B ARG A 106 ? 24.31174 19.15277 49.32670 0.036 29.85795 C ? A ? 105 CG 1
   ATOM 2895 CD B ARG A 106 ? 25.44571 19.76492 50.11860 0.036 28.33555 C ? A ? 105 CD 1
   ATOM 2896 NE B ARG A 106 ? 26.72283 19.17172 49.74286 0.036 30.51749 N ? A ? 105 NE 1
   ATOM 2897 CZ B ARG A 106 ? 27.90349 19.61377 50.14878 0.036 31.71918 C ? A ? 105 CZ 1
   ATOM 2898 NH1 B ARG A 106 ? 28.01095 20.66315 50.94563 0.036 27.76692 N ? A ? 105 NH1 1
   ATOM 2899 NH2 B ARG A 106 ? 29.00441 18.98887 49.74374 0.036 29.63568 N ? A ? 105 NH2 1
   ATOM 2900 H B ARG A 106 ? 21.76003 17.78829 49.33181 0.036 22.58297 H ? A ? 105 H 1
   ATOM 2901 HA B ARG A 106 ? 21.27366 20.30509 48.70888 0.036 20.47750 H ? A ? 105 HA 1
   ATOM 2902 HB2 B ARG A 106 ? 23.27434 20.85785 49.53740 0.036 29.33721 H ? A ? 105 HB2 1
   ATOM 2903 HB3 B ARG A 106 ? 22.73990 19.67831 50.45852 0.036 29.33721 H ? A ? 105 HB3 1
   ATOM 2904 HG2 B ARG A 106 ? 24.19687 18.23142 49.60745 0.036 35.86069 H ? A ? 105 HG2 1
   ATOM 2905 HG3 B ARG A 106 ? 24.53589 19.18670 48.38356 0.036 35.86069 H ? A ? 105 HG3 1
   ATOM 2906 HD2 B ARG A 106 ? 25.48560 20.71791 49.94223 0.036 34.03382 H ? A ? 105 HD2 1
   ATOM 2907 HD3 B ARG A 106 ? 25.30055 19.60844 51.06483 0.036 34.03382 H ? A ? 105 HD3 1
   ATOM 2908 HE B ARG A 106 ? 26.70884 18.48769 49.22179 0.036 36.65215 H ? A ? 105 HE 1
   ATOM 2909 HH11 B ARG A 106 ? 27.30450 21.07494 51.21200 0.036 33.35146 H ? A ? 105 HH11 1
   ATOM 2910 HH12 B ARG A 106 ? 28.78731 20.93400 51.19762 0.036 33.35146 H ? A ? 105 HH12 1
   ATOM 2911 HH21 B ARG A 106 ? 28.94486 18.30610 49.22425 0.036 35.59398 H ? A ? 105 HH21 1
   ATOM 2912 HH22 B ARG A 106 ? 29.77630 19.26732 50.00114 0.036 35.59398 H ? A ? 105 HH22 1
   ATOM 2913 N C ARG A 106 ? 21.38063 18.30220 48.75972 0.641 18.60867 N ? A ? 105 N 1
   ATOM 2914 CA C ARG A 106 ? 22.01406 19.57928 48.58387 0.641 16.83011 C ? A ? 105 CA 1
   ATOM 2915 C C ARG A 106 ? 22.40657 19.72645 47.12986 0.641 19.55676 C ? A ? 105 C 1
   ATOM 2916 O C ARG A 106 ? 22.21272 20.80598 46.55145 0.641 19.79691 O ? A ? 105 O 1
   ATOM 2917 CB C ARG A 106 ? 23.15913 19.62834 49.60418 0.641 24.71564 C ? A ? 105 CB 1
   ATOM 2918 CG C ARG A 106 ? 24.39081 19.00821 49.33924 0.641 30.12971 C ? A ? 105 CG 1
   ATOM 2919 CD C ARG A 106 ? 25.41579 19.49359 50.42102 0.641 31.77282 C ? A ? 105 CD 1
   ATOM 2920 NE C ARG A 106 ? 26.63048 18.74040 50.22870 0.641 34.44486 N ? A ? 105 NE 1
   ATOM 2921 CZ C ARG A 106 ? 27.81964 19.32045 50.34353 0.641 33.59541 C ? A ? 105 CZ 1
   ATOM 2922 NH1 C ARG A 106 ? 27.90538 20.57138 50.77273 0.641 25.99434 N ? A ? 105 NH1 1
   ATOM 2923 NH2 C ARG A 106 ? 28.90654 18.59865 50.12559 0.641 29.19883 N ? A ? 105 NH2 1
   ATOM 2924 H C ARG A 106 ? 21.81156 17.74058 49.24807 0.641 22.36156 H ? A ? 105 H 1
   ATOM 2925 HA C ARG A 106 ? 21.45516 20.35022 48.76874 0.641 20.22729 H ? A ? 105 HA 1
   ATOM 2926 HB2 C ARG A 106 ? 23.36184 20.56441 49.75776 0.641 29.68992 H ? A ? 105 HB2 1
   ATOM 2927 HB3 C ARG A 106 ? 22.82864 19.22216 50.42070 0.641 29.68992 H ? A ? 105 HB3 1
   ATOM 2928 HG2 C ARG A 106 ? 24.29936 18.04413 49.39480 0.641 36.18680 H ? A ? 105 HG2 1
   ATOM 2929 HG3 C ARG A 106 ? 24.71072 19.26093 48.45907 0.641 36.18680 H ? A ? 105 HG3 1
   ATOM 2930 HD2 C ARG A 106 ? 25.60137 20.43908 50.30923 0.641 38.15854 H ? A ? 105 HD2 1
   ATOM 2931 HD3 C ARG A 106 ? 25.07016 19.32639 51.31180 0.641 38.15854 H ? A ? 105 HD3 1
   ATOM 2932 HE C ARG A 106 ? 26.58412 17.90336 50.03685 0.641 41.36499 H ? A ? 105 HE 1
   ATOM 2933 HH11 C ARG A 106 ? 27.19176 21.00601 50.97629 0.641 31.22436 H ? A ? 105 HH11 1
   ATOM 2934 HH12 C ARG A 106 ? 28.67464 20.94850 50.84767 0.641 31.22436 H ? A ? 105 HH12 1
   ATOM 2935 HH21 C ARG A 106 ? 28.83587 17.76822 49.91348 0.641 35.06975 H ? A ? 105 HH21 1
   ATOM 2936 HH22 C ARG A 106 ? 29.68385 18.95982 50.19601 0.641 35.06975 H ? A ? 105 HH22 1
   ATOM 2937 N . ALA A 107 ? 22.86208 18.68095 46.47794 1.000 19.60450 N ? A ? 106 N 1
   ATOM 2938 CA . ALA A 107 ? 23.26580 18.78227 45.07183 1.000 21.79667 C ? A ? 106 CA 1
   ATOM 2939 C . ALA A 107 ? 22.03606 18.99850 44.17993 1.000 19.32295 C ? A ? 106 C 1
   ATOM 2940 O . ALA A 107 ? 22.06539 19.87672 43.29437 1.000 22.04761 O ? A ? 106 O 1
   ATOM 2941 CB . ALA A 107 ? 24.03981 17.48227 44.73991 1.000 26.18615 C ? A ? 106 CB 1
   ATOM 2942 HA . ALA A 107 ? 23.85000 19.53829 44.90434 1.000 26.18716 H ? A ? 106 HA 1
   ATOM 2943 HB1 . ALA A 107 ? 24.31840 17.50899 43.81116 1.000 31.45454 H ? A ? 106 HB1 1
   ATOM 2944 HB2 . ALA A 107 ? 24.81723 17.42157 45.31683 1.000 31.45454 H ? A ? 106 HB2 1
   ATOM 2945 HB3 . ALA A 107 ? 23.45722 16.72113 44.88874 1.000 31.45454 H ? A ? 106 HB3 1
   ATOM 2946 H A ALA A 107 ? 22.91910 17.89388 46.81980 0.322 23.55655 H ? A ? 106 H 1
   ATOM 2947 H B ALA A 107 ? 22.91550 17.89346 46.81943 0.036 23.55655 H ? A ? 106 H 1
   ATOM 2948 H C ALA A 107 ? 22.95156 17.89574 46.81713 0.641 23.55655 H ? A ? 106 H 1
   ATOM 2949 N A ALA A 108 ? 20.96068 18.31029 44.47521 0.610 19.18829 N ? A ? 107 N 1
   ATOM 2950 CA A ALA A 108 ? 19.66581 18.41600 43.74473 0.610 18.32954 C ? A ? 107 CA 1
   ATOM 2951 C A ALA A 108 ? 19.01823 19.81400 43.94706 0.610 14.82695 C ? A ? 107 C 1
   ATOM 2952 O A ALA A 108 ? 18.40626 20.33901 42.94395 0.610 16.84314 O ? A ? 107 O 1
   ATOM 2953 CB A ALA A 108 ? 18.69314 17.32420 44.12601 0.610 19.43091 C ? A ? 107 CB 1
   ATOM 2954 H A ALA A 108 ? 20.92535 17.74171 45.11947 0.610 23.05711 H ? A ? 107 H 1
   ATOM 2955 HA A ALA A 108 ? 19.84480 18.28129 42.80095 0.610 22.02661 H ? A ? 107 HA 1
   ATOM 2956 HB1 A ALA A 108 ? 17.86291 17.45792 43.64255 0.610 23.34825 H ? A ? 107 HB1 1
   ATOM 2957 HB2 A ALA A 108 ? 19.07663 16.46417 43.89324 0.610 23.34825 H ? A ? 107 HB2 1
   ATOM 2958 HB3 A ALA A 108 ? 18.53005 17.36601 45.08129 0.610 23.34825 H ? A ? 107 HB3 1
   ATOM 2959 N B ALA A 108 ? 20.98040 18.26026 44.36389 0.390 19.24327 N ? A ? 107 N 1
   ATOM 2960 CA B ALA A 108 ? 19.79344 18.49206 43.53061 0.390 20.01268 C ? A ? 107 CA 1
   ATOM 2961 C B ALA A 108 ? 19.23108 19.89597 43.81350 0.390 19.22773 C ? A ? 107 C 1
   ATOM 2962 O B ALA A 108 ? 19.01593 20.71230 42.87198 0.390 17.60785 O ? A ? 107 O 1
   ATOM 2963 CB B ALA A 108 ? 18.72944 17.43566 43.83307 0.390 19.01663 C ? A ? 107 CB 1
   ATOM 2964 H B ALA A 108 ? 20.90723 17.62975 44.94415 0.390 23.12308 H ? A ? 107 H 1
   ATOM 2965 HA B ALA A 108 ? 20.03418 18.42006 42.59372 0.390 24.04637 H ? A ? 107 HA 1
   ATOM 2966 HB1 B ALA A 108 ? 17.95145 17.60322 43.27849 0.390 22.85111 H ? A ? 107 HB1 1
   ATOM 2967 HB2 B ALA A 108 ? 19.09193 16.55739 43.63774 0.390 22.85111 H ? A ? 107 HB2 1
   ATOM 2968 HB3 B ALA A 108 ? 18.48591 17.49203 44.77030 0.390 22.85111 H ? A ? 107 HB3 1
   ATOM 2969 N A PHE A 109 ? 19.39602 20.51300 45.04818 0.610 18.13780 N ? A ? 108 N 1
   ATOM 2970 CA A PHE A 109 ? 18.92987 21.86265 45.38309 0.610 18.08036 C ? A ? 108 CA 1
   ATOM 2971 C A PHE A 109 ? 19.69419 22.89318 44.62046 0.610 17.45223 C ? A ? 108 C 1
   ATOM 2972 O A PHE A 109 ? 19.11919 23.85282 44.02838 0.610 17.19472 O ? A ? 108 O 1
   ATOM 2973 CB A PHE A 109 ? 19.03429 22.05925 46.92429 0.610 15.71650 C ? A ? 108 CB 1
   ATOM 2974 CG A PHE A 109 ? 18.56210 23.35988 47.42573 0.610 16.40586 C ? A ? 108 CG 1
   ATOM 2975 CD1 A PHE A 109 ? 17.24867 23.48019 47.88487 0.610 17.46645 C ? A ? 108 CD1 1
   ATOM 2976 CD2 A PHE A 109 ? 19.36909 24.49072 47.49567 0.610 18.14382 C ? A ? 108 CD2 1
   ATOM 2977 CE1 A PHE A 109 ? 16.81195 24.69277 48.36168 0.610 19.49657 C ? A ? 108 CE1 1
   ATOM 2978 CE2 A PHE A 109 ? 18.86737 25.64279 48.01743 0.610 18.85546 C ? A ? 108 CE2 1
   ATOM 2979 CZ A PHE A 109 ? 17.62660 25.72988 48.41962 0.610 20.39119 C ? A ? 108 CZ 1
   ATOM 2980 H A PHE A 109 ? 19.94454 20.20674 45.63549 0.610 21.79652 H ? A ? 108 H 1
   ATOM 2981 HA A PHE A 109 ? 17.99719 21.97699 45.14237 0.610 21.72759 H ? A ? 108 HA 1
   ATOM 2982 HB2 A PHE A 109 ? 18.50358 21.37221 47.35697 0.610 18.89096 H ? A ? 108 HB2 1
   ATOM 2983 HB3 A PHE A 109 ? 19.96532 21.97051 47.18160 0.610 18.89096 H ? A ? 108 HB3 1
   ATOM 2984 HD1 A PHE A 109 ? 16.67587 22.74771 47.86812 0.610 20.99089 H ? A ? 108 HD1 1
   ATOM 2985 HD2 A PHE A 109 ? 20.24607 24.45949 47.18773 0.610 21.80374 H ? A ? 108 HD2 1
   ATOM 2986 HE1 A PHE A 109 ? 15.93153 24.78388 48.64710 0.610 23.42704 H ? A ? 108 HE1 1
   ATOM 2987 HE2 A PHE A 109 ? 19.42082 26.38668 48.08971 0.610 22.65771 H ? A ? 108 HE2 1
   ATOM 2988 HZ A PHE A 109 ? 17.31147 26.53875 48.75327 0.610 24.50059 H ? A ? 108 HZ 1
   ATOM 2989 N B PHE A 109 ? 18.95576 20.16252 45.08276 0.390 12.14710 N ? A ? 108 N 1
   ATOM 2990 CA B PHE A 109 ? 18.40614 21.51484 45.37307 0.390 12.36128 C ? A ? 108 CA 1
   ATOM 2991 C B PHE A 109 ? 19.18346 22.58080 44.57629 0.390 14.05639 C ? A ? 108 C 1
   ATOM 2992 O B PHE A 109 ? 18.57432 23.52278 43.98468 0.390 12.45216 O ? A ? 108 O 1
   ATOM 2993 CB B PHE A 109 ? 18.55760 21.71701 46.87402 0.390 16.35536 C ? A ? 108 CB 1
   ATOM 2994 CG B PHE A 109 ? 17.97679 23.01733 47.35849 0.390 12.75867 C ? A ? 108 CG 1
   ATOM 2995 CD1 B PHE A 109 ? 18.82185 24.12994 47.41662 0.390 15.28233 C ? A ? 108 CD1 1
   ATOM 2996 CD2 B PHE A 109 ? 16.66531 23.13235 47.82238 0.390 12.72944 C ? A ? 108 CD2 1
   ATOM 2997 CE1 B PHE A 109 ? 18.37121 25.36974 47.92550 0.390 18.28088 C ? A ? 108 CE1 1
   ATOM 2998 CE2 B PHE A 109 ? 16.16589 24.37136 48.27182 0.390 11.81080 C ? A ? 108 CE2 1
   ATOM 2999 CZ B PHE A 109 ? 17.05311 25.46946 48.41171 0.390 15.21367 C ? A ? 108 CZ 1
   ATOM 3000 H B PHE A 109 ? 19.06318 19.63287 45.75174 0.390 14.60768 H ? A ? 108 H 1
   ATOM 3001 HA B PHE A 109 ? 17.47255 21.59787 45.12324 0.390 14.86470 H ? A ? 108 HA 1
   ATOM 3002 HB2 B PHE A 109 ? 18.10144 20.99606 47.33559 0.390 19.65759 H ? A ? 108 HB2 1
   ATOM 3003 HB3 B PHE A 109 ? 19.50131 21.70979 47.09820 0.390 19.65759 H ? A ? 108 HB3 1
   ATOM 3004 HD1 B PHE A 109 ? 19.69800 24.05286 47.11445 0.390 18.36996 H ? A ? 108 HD1 1
   ATOM 3005 HD2 B PHE A 109 ? 16.11478 22.38291 47.83503 0.390 15.30648 H ? A ? 108 HD2 1
   ATOM 3006 HE1 B PHE A 109 ? 18.93651 26.10809 47.93896 0.390 21.96822 H ? A ? 108 HE1 1
   ATOM 3007 HE2 B PHE A 109 ? 15.26347 24.46809 48.47471 0.390 14.20412 H ? A ? 108 HE2 1
   ATOM 3008 HZ B PHE A 109 ? 16.76541 26.25238 48.82300 0.390 18.28756 H ? A ? 108 HZ 1
   ATOM 3009 N A GLY A 110 ? 20.99327 22.77492 44.57350 0.610 18.14929 N ? A ? 109 N 1
   ATOM 3010 CA A GLY A 110 ? 21.76630 23.64764 43.74603 0.610 18.44766 C ? A ? 109 CA 1
   ATOM 3011 C A GLY A 110 ? 21.33198 23.57374 42.29807 0.610 17.64313 C ? A ? 109 C 1
   ATOM 3012 O A GLY A 110 ? 21.33213 24.60838 41.62161 0.610 20.60267 O ? A ? 109 O 1
   ATOM 3013 H A GLY A 110 ? 21.45273 22.19555 45.01261 0.610 21.81030 H ? A ? 109 H 1
   ATOM 3014 HA2 A GLY A 110 ? 21.66240 24.56175 44.05345 0.610 22.16835 H ? A ? 109 HA2 1
   ATOM 3015 HA3 A GLY A 110 ? 22.70272 23.40059 43.80067 0.610 22.16835 H ? A ? 109 HA3 1
   ATOM 3016 N B GLY A 110 ? 20.50812 22.45585 44.55722 0.390 15.53517 N ? A ? 109 N 1
   ATOM 3017 CA B GLY A 110 ? 21.38151 23.42207 43.85661 0.390 18.18198 C ? A ? 109 CA 1
   ATOM 3018 C B GLY A 110 ? 21.16895 23.45328 42.34765 0.390 18.34309 C ? A ? 109 C 1
   ATOM 3019 O B GLY A 110 ? 21.03325 24.46769 41.71180 0.390 16.35584 O ? A ? 109 O 1
   ATOM 3020 H B GLY A 110 ? 20.94015 21.81943 44.94183 0.390 18.67336 H ? A ? 109 H 1
   ATOM 3021 HA2 B GLY A 110 ? 21.21043 24.31190 44.20277 0.390 21.84953 H ? A ? 109 HA2 1
   ATOM 3022 HA3 B GLY A 110 ? 22.30831 23.19053 44.02492 0.390 21.84953 H ? A ? 109 HA3 1
   ATOM 3023 N . ASP A 111 ? 20.98409 22.33139 41.79702 1.000 17.00791 N ? A ? 110 N 1
   ATOM 3024 CA . ASP A 111 ? 20.62372 22.19870 40.39714 1.000 18.23419 C ? A ? 110 CA 1
   ATOM 3025 C . ASP A 111 ? 19.28662 22.91003 40.11431 1.000 15.68221 C ? A ? 110 C 1
   ATOM 3026 O . ASP A 111 ? 19.15359 23.55430 39.04092 1.000 17.62388 O ? A ? 110 O 1
   ATOM 3027 CB . ASP A 111 ? 20.58056 20.70780 39.94230 1.000 19.78316 C ? A ? 110 CB 1
   ATOM 3028 CG . ASP A 111 ? 21.96091 20.00937 39.85917 1.000 22.30267 C ? A ? 110 CG 1
   ATOM 3029 OD1 . ASP A 111 ? 22.97115 20.73391 39.95183 1.000 22.98606 O ? A ? 110 OD1 1
   ATOM 3030 OD2 . ASP A 111 ? 21.85486 18.73528 39.64902 1.000 22.60978 O ? A ? 110 OD2 1
   ATOM 3031 HA . ASP A 111 ? 21.31883 22.61860 39.86666 1.000 21.91218 H ? A ? 110 HA 1
   ATOM 3032 HB2 . ASP A 111 ? 20.04013 20.20883 40.57465 1.000 23.77095 H ? A ? 110 HB2 1
   ATOM 3033 HB3 . ASP A 111 ? 20.18071 20.66700 39.05948 1.000 23.77095 H ? A ? 110 HB3 1
   ATOM 3034 H A ASP A 111 ? 20.95951 21.60171 42.25152 0.610 20.44065 H ? A ? 110 H 1
   ATOM 3035 H B ASP A 111 ? 21.05673 21.57694 42.20340 0.390 20.44065 H ? A ? 110 H 1
   ATOM 3036 N . VAL A 112 ? 18.31765 22.69684 40.94840 1.000 15.65492 N ? A ? 111 N 1
   ATOM 3037 CA . VAL A 112 ? 17.05368 23.44727 40.80717 1.000 15.97477 C ? A ? 111 CA 1
   ATOM 3038 C . VAL A 112 ? 17.31269 24.92690 40.82438 1.000 15.73512 C ? A ? 111 C 1
   ATOM 3039 O . VAL A 112 ? 16.78158 25.64064 39.92446 1.000 15.70072 O ? A ? 111 O 1
   ATOM 3040 CB . VAL A 112 ? 16.03772 23.01135 41.85364 1.000 16.72148 C ? A ? 111 CB 1
   ATOM 3041 CG1 . VAL A 112 ? 14.83263 23.87121 41.84853 1.000 15.16995 C ? A ? 111 CG1 1
   ATOM 3042 CG2 . VAL A 112 ? 15.62600 21.53818 41.66061 1.000 17.44393 C ? A ? 111 CG2 1
   ATOM 3043 H . VAL A 112 ? 18.33969 22.13868 41.60230 1.000 18.81706 H ? A ? 111 H 1
   ATOM 3044 HA . VAL A 112 ? 16.66833 23.23686 39.94222 1.000 19.20088 H ? A ? 111 HA 1
   ATOM 3045 HB . VAL A 112 ? 16.46853 23.10230 42.71795 1.000 20.09693 H ? A ? 111 HB 1
   ATOM 3046 HG11 . VAL A 112 ? 14.13240 23.43660 42.36010 1.000 18.23510 H ? A ? 111 HG11 1
   ATOM 3047 HG12 . VAL A 112 ? 15.05316 24.72638 42.24971 1.000 18.23510 H ? A ? 111 HG12 1
   ATOM 3048 HG13 . VAL A 112 ? 14.54111 24.00092 40.93251 1.000 18.23510 H ? A ? 111 HG13 1
   ATOM 3049 HG21 . VAL A 112 ? 14.99270 21.29388 42.35354 1.000 20.96388 H ? A ? 111 HG21 1
   ATOM 3050 HG22 . VAL A 112 ? 15.21625 21.43663 40.78728 1.000 20.96388 H ? A ? 111 HG22 1
   ATOM 3051 HG23 . VAL A 112 ? 16.41603 20.97878 41.72238 1.000 20.96388 H ? A ? 111 HG23 1
   ATOM 3052 N . GLY A 113 ? 18.02985 25.42603 41.78568 1.000 15.65421 N ? A ? 112 N 1
   ATOM 3053 CA . GLY A 113 ? 18.23329 26.84812 41.89665 1.000 17.18081 C ? A ? 112 CA 1
   ATOM 3054 C . GLY A 113 ? 18.87593 27.42469 40.63623 1.000 17.28736 C ? A ? 112 C 1
   ATOM 3055 O . GLY A 113 ? 18.52476 28.52460 40.17172 1.000 16.97292 O ? A ? 112 O 1
   ATOM 3056 H . GLY A 113 ? 18.41815 24.96437 42.39862 1.000 18.81621 H ? A ? 112 H 1
   ATOM 3057 HA2 . GLY A 113 ? 17.38001 27.28750 42.03718 1.000 20.64813 H ? A ? 112 HA2 1
   ATOM 3058 HA3 . GLY A 113 ? 18.81268 27.03456 42.65193 1.000 20.64813 H ? A ? 112 HA3 1
   ATOM 3059 N A ALA A 114 ? 19.81626 26.71202 40.04142 0.413 17.59897 N ? A ? 113 N 1
   ATOM 3060 CA A ALA A 114 ? 20.44324 27.21374 38.81357 0.413 16.99666 C ? A ? 113 CA 1
   ATOM 3061 C A ALA A 114 ? 19.44367 27.21433 37.66524 0.413 15.99870 C ? A ? 113 C 1
   ATOM 3062 O A ALA A 114 ? 19.53379 28.04781 36.74818 0.413 16.16345 O ? A ? 113 O 1
   ATOM 3063 CB A ALA A 114 ? 21.70040 26.35695 38.53246 0.413 18.77136 C ? A ? 113 CB 1
   ATOM 3064 H A ALA A 114 ? 20.10920 25.95104 40.31473 0.413 21.14992 H ? A ? 113 H 1
   ATOM 3065 HA A ALA A 114 ? 20.74226 28.13170 38.90760 0.413 20.42715 H ? A ? 113 HA 1
   ATOM 3066 HB1 A ALA A 114 ? 22.12097 26.67138 37.71690 0.413 22.55679 H ? A ? 113 HB1 1
   ATOM 3067 HB2 A ALA A 114 ? 22.31566 26.44514 39.27716 0.413 22.55679 H ? A ? 113 HB2 1
   ATOM 3068 HB3 A ALA A 114 ? 21.43441 25.42964 38.43119 0.413 22.55679 H ? A ? 113 HB3 1
   ATOM 3069 N B ALA A 114 ? 19.80998 26.69310 40.07500 0.587 18.04972 N ? A ? 113 N 1
   ATOM 3070 CA B ALA A 114 ? 20.46563 27.15467 38.87379 0.587 17.94048 C ? A ? 113 CA 1
   ATOM 3071 C B ALA A 114 ? 19.45786 27.25487 37.76587 0.587 16.84800 C ? A ? 113 C 1
   ATOM 3072 O B ALA A 114 ? 19.59124 28.19586 36.96594 0.587 17.51564 O ? A ? 113 O 1
   ATOM 3073 CB B ALA A 114 ? 21.63138 26.20104 38.52172 0.587 18.55104 C ? A ? 113 CB 1
   ATOM 3074 H B ALA A 114 ? 20.08253 25.93091 40.36552 0.587 21.69082 H ? A ? 113 H 1
   ATOM 3075 HA B ALA A 114 ? 20.85640 28.03276 39.00482 0.587 21.55974 H ? A ? 113 HA 1
   ATOM 3076 HB1 B ALA A 114 ? 22.05438 26.50765 37.70444 0.587 22.29241 H ? A ? 113 HB1 1
   ATOM 3077 HB2 B ALA A 114 ? 22.27373 26.20574 39.24853 0.587 22.29241 H ? A ? 113 HB2 1
   ATOM 3078 HB3 B ALA A 114 ? 21.28007 25.30560 38.39654 0.587 22.29241 H ? A ? 113 HB3 1
   ATOM 3079 N . SER A 115 ? 18.54954 26.28403 37.65085 1.000 15.81373 N ? A ? 114 N 1
   ATOM 3080 CA . SER A 115 ? 17.55168 26.32625 36.60475 1.000 16.33059 C ? A ? 114 CA 1
   ATOM 3081 C . SER A 115 ? 16.58883 27.52860 36.79491 1.000 16.80711 C ? A ? 114 C 1
   ATOM 3082 O . SER A 115 ? 16.14469 28.14268 35.81030 1.000 17.60677 O ? A ? 114 O 1
   ATOM 3083 CB . SER A 115 ? 16.71991 25.05414 36.45565 1.000 18.93085 C ? A ? 114 CB 1
   ATOM 3084 OG . SER A 115 ? 17.45394 23.88136 36.16026 1.000 21.60728 O ? A ? 114 OG 1
   ATOM 3085 HA . SER A 115 ? 18.06075 26.40880 35.78320 1.000 19.62786 H ? A ? 114 HA 1
   ATOM 3086 HB2 . SER A 115 ? 16.24833 24.90753 37.29053 1.000 22.74818 H ? A ? 114 HB2 1
   ATOM 3087 HB3 . SER A 115 ? 16.08479 25.19660 35.73647 1.000 22.74818 H ? A ? 114 HB3 1
   ATOM 3088 HG . SER A 115 ? 18.10360 23.80854 36.68774 1.000 25.95989 H ? A ? 114 HG 1
   ATOM 3089 H A SER A 115 ? 18.48781 25.63296 38.20933 0.413 19.00763 H ? A ? 114 H 1
   ATOM 3090 H B SER A 115 ? 18.49618 25.59760 38.16619 0.587 19.00763 H ? A ? 114 H 1
   ATOM 3091 N . CYS A 116 ? 16.26239 27.87985 38.04308 1.000 16.06503 N ? A ? 115 N 1
   ATOM 3092 CA . CYS A 116 ? 15.38004 29.08506 38.24585 1.000 15.49738 C ? A ? 115 CA 1
   ATOM 3093 C . CYS A 116 ? 16.11330 30.28108 37.67857 1.000 17.56667 C ? A ? 115 C 1
   ATOM 3094 O . CYS A 116 ? 15.54952 31.09147 36.86446 1.000 17.70503 O ? A ? 115 O 1
   ATOM 3095 CB . CYS A 116 ? 15.13044 29.32543 39.70182 1.000 15.69074 C ? A ? 115 CB 1
   ATOM 3096 SG . CYS A 116 ? 14.64056 27.95526 40.84453 1.000 16.18601 S ? A ? 115 SG 1
   ATOM 3097 H . CYS A 116 ? 16.51277 27.47543 38.75957 1.000 19.30919 H ? A ? 115 H 1
   ATOM 3098 HA . CYS A 116 ? 14.52103 28.94366 37.81805 1.000 18.62801 H ? A ? 115 HA 1
   ATOM 3099 HB2 . CYS A 116 ? 15.94956 29.69230 40.06973 1.000 18.86004 H ? A ? 115 HB2 1
   ATOM 3100 HB3 . CYS A 116 ? 14.41798 29.98115 39.75948 1.000 18.86004 H ? A ? 115 HB3 1
   ATOM 3101 N . LYS A 117 ? 17.37175 30.44351 38.06122 1.000 16.77267 N ? A ? 116 N 1
   ATOM 3102 CA . LYS A 117 ? 18.14923 31.59556 37.65772 1.000 17.98645 C ? A ? 116 CA 1
   ATOM 3103 C . LYS A 117 ? 18.36286 31.64243 36.17570 1.000 18.79532 C ? A ? 116 C 1
   ATOM 3104 O . LYS A 117 ? 18.24841 32.77449 35.56480 1.000 20.12928 O ? A ? 116 O 1
   ATOM 3105 CB . LYS A 117 ? 19.48092 31.58328 38.38738 1.000 19.60805 C ? A ? 116 CB 1
   ATOM 3106 CG . LYS A 117 ? 20.41352 32.73219 37.95342 1.000 29.89470 C ? A ? 116 CG 1
   ATOM 3107 CD . LYS A 117 ? 21.64271 32.74262 38.79935 1.000 33.40274 C ? A ? 116 CD 1
   ATOM 3108 CE . LYS A 117 ? 22.80179 33.53674 38.11703 1.000 53.59967 C ? A ? 116 CE 1
   ATOM 3109 NZ . LYS A 117 ? 22.28594 34.88387 37.82871 1.000 62.64944 N ? A ? 116 NZ 1
   ATOM 3110 H . LYS A 117 ? 17.80256 29.89233 38.56142 1.000 20.15836 H ? A ? 116 H 1
   ATOM 3111 HA . LYS A 117 ? 17.66348 32.39876 37.90230 1.000 21.61490 H ? A ? 116 HA 1
   ATOM 3112 HB2 . LYS A 117 ? 19.31926 31.67184 39.33971 1.000 23.56082 H ? A ? 116 HB2 1
   ATOM 3113 HB3 . LYS A 117 ? 19.93290 30.74481 38.20416 1.000 23.56082 H ? A ? 116 HB3 1
   ATOM 3114 HG2 . LYS A 117 ? 20.67468 32.60877 37.02742 1.000 35.90480 H ? A ? 116 HG2 1
   ATOM 3115 HG3 . LYS A 117 ? 19.95657 33.58129 38.05889 1.000 35.90480 H ? A ? 116 HG3 1
   ATOM 3116 HD2 . LYS A 117 ? 21.44370 33.16456 39.64980 1.000 40.11445 H ? A ? 116 HD2 1
   ATOM 3117 HD3 . LYS A 117 ? 21.94136 31.83101 38.94313 1.000 40.11445 H ? A ? 116 HD3 1
   ATOM 3118 HE2 . LYS A 117 ? 23.56394 33.60238 38.71345 1.000 64.35076 H ? A ? 116 HE2 1
   ATOM 3119 HE3 . LYS A 117 ? 23.06496 33.10635 37.28853 1.000 64.35076 H ? A ? 116 HE3 1
   ATOM 3120 HZ1 . LYS A 117 ? 22.91395 35.37103 37.42821 1.000 75.21049 H ? A ? 116 HZ1 1
   ATOM 3121 HZ2 . LYS A 117 ? 21.57690 34.83021 37.29347 1.000 75.21049 H ? A ? 116 HZ2 1
   ATOM 3122 HZ3 . LYS A 117 ? 22.04676 35.28665 38.58545 1.000 75.21049 H ? A ? 116 HZ3 1
   ATOM 3123 N . ALA A 118 ? 18.56458 30.53989 35.54099 1.000 19.04224 N ? A ? 117 N 1
   ATOM 3124 CA . ALA A 118 ? 18.78094 30.52560 34.09515 1.000 19.94685 C ? A ? 117 CA 1
   ATOM 3125 C . ALA A 118 ? 17.57951 31.01374 33.35067 1.000 18.85882 C ? A ? 117 C 1
   ATOM 3126 O . ALA A 118 ? 17.68931 31.76508 32.33090 1.000 20.72735 O ? A ? 117 O 1
   ATOM 3127 CB . ALA A 118 ? 19.18082 29.11054 33.65902 1.000 24.26910 C ? A ? 117 CB 1
   ATOM 3128 H . ALA A 118 ? 18.58587 29.76206 35.90723 1.000 22.88184 H ? A ? 117 H 1
   ATOM 3129 HA . ALA A 118 ? 19.50891 31.12641 33.87159 1.000 23.96738 H ? A ? 117 HA 1
   ATOM 3130 HB1 . ALA A 118 ? 19.34968 29.11036 32.70383 1.000 29.15407 H ? A ? 117 HB1 1
   ATOM 3131 HB2 . ALA A 118 ? 19.98304 28.84769 34.13679 1.000 29.15407 H ? A ? 117 HB2 1
   ATOM 3132 HB3 . ALA A 118 ? 18.45676 28.49951 33.86704 1.000 29.15407 H ? A ? 117 HB3 1
   ATOM 3133 N . CYS A 119 ? 16.39499 30.61192 33.76638 1.000 16.21582 N ? A ? 118 N 1
   ATOM 3134 CA . CYS A 119 ? 15.16475 31.12930 33.09929 1.000 16.03677 C ? A ? 118 CA 1
   ATOM 3135 C . CYS A 119 ? 14.94716 32.59902 33.39767 1.000 17.76891 C ? A ? 118 C 1
   ATOM 3136 O . CYS A 119 ? 14.70131 33.34262 32.43791 1.000 17.92341 O ? A ? 118 O 1
   ATOM 3137 CB . CYS A 119 ? 13.92368 30.30090 33.53365 1.000 15.06568 C ? A ? 118 CB 1
   ATOM 3138 SG . CYS A 119 ? 12.55410 30.86348 32.57317 1.000 15.82975 S ? A ? 118 SG 1
   ATOM 3139 H . CYS A 119 ? 16.25592 30.05876 34.41002 1.000 19.49014 H ? A ? 118 H 1
   ATOM 3140 HA . CYS A 119 ? 15.27319 31.02834 32.14067 1.000 19.27528 H ? A ? 118 HA 1
   ATOM 3141 HB2 . CYS A 119 ? 14.07237 29.35772 33.36279 1.000 18.10997 H ? A ? 118 HB2 1
   ATOM 3142 HB3 . CYS A 119 ? 13.73778 30.44224 34.47512 1.000 18.10997 H ? A ? 118 HB3 1
   ATOM 3143 N . HIS A 120 ? 15.20345 33.03329 34.59071 1.000 14.75080 N ? A ? 119 N 1
   ATOM 3144 CA . HIS A 120 ? 15.04025 34.47284 34.90991 1.000 16.27973 C ? A ? 119 CA 1
   ATOM 3145 C . HIS A 120 ? 15.97436 35.32325 34.08581 1.000 18.31650 C ? A ? 119 C 1
   ATOM 3146 O . HIS A 120 ? 15.59448 36.39228 33.53971 1.000 19.23869 O ? A ? 119 O 1
   ATOM 3147 CB . HIS A 120 ? 15.31030 34.74102 36.35094 1.000 17.59992 C ? A ? 119 CB 1
   ATOM 3148 CG . HIS A 120 ? 14.26620 34.12688 37.28009 1.000 15.98464 C ? A ? 119 CG 1
   ATOM 3149 ND1 . HIS A 120 ? 14.53527 33.76718 38.53211 1.000 16.46009 N ? A ? 119 ND1 1
   ATOM 3150 CD2 . HIS A 120 ? 12.99908 33.70682 37.03540 1.000 15.55397 C ? A ? 119 CD2 1
   ATOM 3151 CE1 . HIS A 120 ? 13.42799 33.24457 39.06096 1.000 15.20704 C ? A ? 119 CE1 1
   ATOM 3152 NE2 . HIS A 120 ? 12.46870 33.17726 38.14804 1.000 14.83369 N ? A ? 119 NE2 1
   ATOM 3153 H . HIS A 120 ? 15.47154 32.54632 35.24690 1.000 17.73212 H ? A ? 119 H 1
   ATOM 3154 HA . HIS A 120 ? 14.11931 34.70779 34.71607 1.000 19.56683 H ? A ? 119 HA 1
   ATOM 3155 HB2 . HIS A 120 ? 16.17450 34.36711 36.58382 1.000 21.15106 H ? A ? 119 HB2 1
   ATOM 3156 HB3 . HIS A 120 ? 15.31341 35.69993 36.49715 1.000 21.15106 H ? A ? 119 HB3 1
   ATOM 3157 HD1 . HIS A 120 ? 15.29182 33.85614 38.93125 1.000 19.78327 H ? A ? 119 HD1 1
   ATOM 3158 HD2 . HIS A 120 ? 12.56277 33.77590 36.21701 1.000 18.69592 H ? A ? 119 HD2 1
   ATOM 3159 HE1 . HIS A 120 ? 13.34108 32.96691 39.94428 1.000 18.27961 H ? A ? 119 HE1 1
   ATOM 3160 N . ASP A 121 ? 17.21138 34.83313 33.89035 1.000 17.77542 N ? A ? 120 N 1
   ATOM 3161 CA . ASP A 121 ? 18.21583 35.60614 33.14785 1.000 19.51608 C ? A ? 120 CA 1
   ATOM 3162 C . ASP A 121 ? 17.75108 35.79556 31.73375 1.000 21.76993 C ? A ? 120 C 1
   ATOM 3163 O . ASP A 121 ? 17.96266 36.92514 31.19435 1.000 24.18572 O ? A ? 120 O 1
   ATOM 3164 CB . ASP A 121 ? 19.56791 34.90596 33.22319 1.000 21.42184 C ? A ? 120 CB 1
   ATOM 3165 CG . ASP A 121 ? 20.21829 35.01410 34.60442 1.000 24.13337 C ? A ? 120 CG 1
   ATOM 3166 OD1 . ASP A 121 ? 19.87118 35.83340 35.47874 1.000 29.83279 O ? A ? 120 OD1 1
   ATOM 3167 OD2 . ASP A 121 ? 21.22743 34.33305 34.83570 1.000 35.33827 O ? A ? 120 OD2 1
   ATOM 3168 H . ASP A 121 ? 17.48754 34.06929 34.17297 1.000 21.36167 H ? A ? 120 H 1
   ATOM 3169 HA . ASP A 121 ? 18.33984 36.48251 33.54472 1.000 23.45045 H ? A ? 120 HA 1
   ATOM 3170 HB2 . ASP A 121 ? 19.44753 33.96476 33.02186 1.000 25.73736 H ? A ? 120 HB2 1
   ATOM 3171 HB3 . ASP A 121 ? 20.16857 35.30926 32.57708 1.000 25.73736 H ? A ? 120 HB3 1
   ATOM 3172 N . ALA A 122 ? 17.07992 34.86345 31.06961 1.000 19.52875 N ? A ? 121 N 1
   ATOM 3173 CA . ALA A 122 ? 16.57095 34.93009 29.70342 1.000 19.47903 C ? A ? 121 CA 1
   ATOM 3174 C . ALA A 122 ? 15.21534 35.58024 29.58813 1.000 23.55616 C ? A ? 121 C 1
   ATOM 3175 O . ALA A 122 ? 14.97373 36.35830 28.64004 1.000 25.58587 O ? A ? 121 O 1
   ATOM 3176 CB . ALA A 122 ? 16.53802 33.54902 29.02614 1.000 23.13807 C ? A ? 121 CB 1
   ATOM 3177 H . ALA A 122 ? 16.88535 34.10384 31.42279 1.000 23.46566 H ? A ? 121 H 1
   ATOM 3178 HA . ALA A 122 ? 17.20348 35.47522 29.20983 1.000 23.40600 H ? A ? 121 HA 1
   ATOM 3179 HB1 . ALA A 122 ? 16.19120 33.64711 28.12559 1.000 27.79684 H ? A ? 121 HB1 1
   ATOM 3180 HB2 . ALA A 122 ? 17.43875 33.19028 28.99647 1.000 27.79684 H ? A ? 121 HB2 1
   ATOM 3181 HB3 . ALA A 122 ? 15.96381 32.95924 29.53932 1.000 27.79684 H ? A ? 121 HB3 1
   ATOM 3182 N . TYR A 123 ? 14.27117 35.41508 30.52843 1.000 18.80211 N ? A ? 122 N 1
   ATOM 3183 CA . TYR A 123 ? 12.87052 35.58567 30.28669 1.000 18.49126 C ? A ? 122 CA 1
   ATOM 3184 C . TYR A 123 ? 12.19881 36.45158 31.31617 1.000 17.60777 C ? A ? 122 C 1
   ATOM 3185 O . TYR A 123 ? 11.00344 36.71667 31.14109 1.000 20.23646 O ? A ? 122 O 1
   ATOM 3186 CB . TYR A 123 ? 12.18201 34.24791 30.18681 1.000 17.91044 C ? A ? 122 CB 1
   ATOM 3187 CG . TYR A 123 ? 12.61261 33.52476 28.96998 1.000 19.24619 C ? A ? 122 CG 1
   ATOM 3188 CD1 . TYR A 123 ? 12.24757 33.96362 27.68925 1.000 25.30879 C ? A ? 122 CD1 1
   ATOM 3189 CD2 . TYR A 123 ? 13.34775 32.28536 29.04476 1.000 19.93164 C ? A ? 122 CD2 1
   ATOM 3190 CE1 . TYR A 123 ? 12.59698 33.29450 26.52692 1.000 25.89688 C ? A ? 122 CE1 1
   ATOM 3191 CE2 . TYR A 123 ? 13.63826 31.65526 27.91030 1.000 22.50452 C ? A ? 122 CE2 1
   ATOM 3192 CZ . TYR A 123 ? 13.34850 32.16204 26.65672 1.000 24.24683 C ? A ? 122 CZ 1
   ATOM 3193 OH . TYR A 123 ? 13.72100 31.41486 25.47652 1.000 28.03802 O ? A ? 122 OH 1
   ATOM 3194 H . TYR A 123 ? 14.44473 35.19509 31.34150 1.000 22.59369 H ? A ? 122 H 1
   ATOM 3195 HA . TYR A 123 ? 12.74722 36.01961 29.42798 1.000 22.22067 H ? A ? 122 HA 1
   ATOM 3196 HB2 . TYR A 123 ? 12.40755 33.70969 30.96163 1.000 21.52368 H ? A ? 122 HB2 1
   ATOM 3197 HB3 . TYR A 123 ? 11.22215 34.38089 30.14326 1.000 21.52368 H ? A ? 122 HB3 1
   ATOM 3198 HD1 . TYR A 123 ? 11.74562 34.74309 27.61605 1.000 30.40170 H ? A ? 122 HD1 1
   ATOM 3199 HD2 . TYR A 123 ? 13.61164 31.93616 29.86532 1.000 23.94913 H ? A ? 122 HD2 1
   ATOM 3200 HE1 . TYR A 123 ? 12.33014 33.60457 25.69172 1.000 31.10741 H ? A ? 122 HE1 1
   ATOM 3201 HE2 . TYR A 123 ? 14.05967 30.82789 27.96292 1.000 27.03658 H ? A ? 122 HE2 1
   ATOM 3202 HH . TYR A 123 ? 14.11668 30.70754 25.69730 1.000 33.67678 H ? A ? 122 HH 1
   ATOM 3203 N . ARG A 124 ? 12.87328 36.96052 32.30956 1.000 18.13656 N ? A ? 123 N 1
   ATOM 3204 CA . ARG A 124 ? 12.23597 37.80042 33.29637 1.000 18.92947 C ? A ? 123 CA 1
   ATOM 3205 C . ARG A 124 ? 12.82692 39.21073 33.15071 1.000 22.60289 C ? A ? 123 C 1
   ATOM 3206 O . ARG A 124 ? 14.05165 39.39812 33.12387 1.000 21.67878 O ? A ? 123 O 1
   ATOM 3207 CB . ARG A 124 ? 12.46198 37.26840 34.70099 1.000 17.77669 C ? A ? 123 CB 1
   ATOM 3208 CG . ARG A 124 ? 11.70289 37.99471 35.75990 1.000 19.99654 C ? A ? 123 CG 1
   ATOM 3209 CD . ARG A 124 ? 11.85311 37.36386 37.12710 1.000 20.69982 C ? A ? 123 CD 1
   ATOM 3210 NE . ARG A 124 ? 13.11304 37.52493 37.75163 1.000 21.43547 N ? A ? 123 NE 1
   ATOM 3211 CZ . ARG A 124 ? 13.38942 37.03224 38.93499 1.000 23.95614 C ? A ? 123 CZ 1
   ATOM 3212 NH1 . ARG A 124 ? 12.50966 36.33417 39.58807 1.000 21.67499 N ? A ? 123 NH1 1
   ATOM 3213 NH2 . ARG A 124 ? 14.59050 37.22724 39.46945 1.000 25.69144 N ? A ? 123 NH2 1
   ATOM 3214 H . ARG A 124 ? 13.71401 36.83487 32.43983 1.000 21.79503 H ? A ? 123 H 1
   ATOM 3215 HA . ARG A 124 ? 11.27727 37.83312 33.15242 1.000 22.74653 H ? A ? 123 HA 1
   ATOM 3216 HB2 . ARG A 124 ? 12.18789 36.33832 34.72804 1.000 21.36319 H ? A ? 123 HB2 1
   ATOM 3217 HB3 . ARG A 124 ? 13.40577 37.34241 34.91238 1.000 21.36319 H ? A ? 123 HB3 1
   ATOM 3218 HG2 . ARG A 124 ? 12.02901 38.90667 35.81366 1.000 24.02701 H ? A ? 123 HG2 1
   ATOM 3219 HG3 . ARG A 124 ? 10.76024 37.99242 35.53122 1.000 24.02701 H ? A ? 123 HG3 1
   ATOM 3220 HD2 . ARG A 124 ? 11.19005 37.75586 37.71666 1.000 24.87094 H ? A ? 123 HD2 1
   ATOM 3221 HD3 . ARG A 124 ? 11.69741 36.41040 37.04009 1.000 24.87094 H ? A ? 123 HD3 1
   ATOM 3222 HE . ARG A 124 ? 13.72421 37.96530 37.33672 1.000 25.75373 H ? A ? 123 HE 1
   ATOM 3223 HH11 . ARG A 124 ? 11.73435 36.19003 39.24497 1.000 26.04115 H ? A ? 123 HH11 1
   ATOM 3224 HH12 . ARG A 124 ? 12.70260 36.01622 40.36349 1.000 26.04115 H ? A ? 123 HH12 1
   ATOM 3225 HH21 . ARG A 124 ? 15.18487 37.67589 39.03929 1.000 30.86089 H ? A ? 123 HH21 1
   ATOM 3226 HH22 . ARG A 124 ? 14.77334 36.90478 40.24546 1.000 30.86089 H ? A ? 123 HH22 1
   ATOM 3227 N . LYS A 125 ? 11.93167 40.22409 33.14828 1.000 20.24098 N ? A ? 124 N 1
   ATOM 3228 CA . LYS A 125 ? 12.40182 41.61814 33.04068 1.000 21.48006 C ? A ? 124 CA 1
   ATOM 3229 C . LYS A 125 ? 13.21854 41.94738 34.26440 1.000 22.09533 C ? A ? 124 C 1
   ATOM 3230 O . LYS A 125 ? 12.93627 41.55078 35.40690 1.000 26.47686 O ? A ? 124 O 1
   ATOM 3231 H . LYS A 125 ? 11.07864 40.13117 33.20580 1.000 24.32033 H ? A ? 124 H 1
   ATOM 3232 HA . LYS A 125 ? 12.95713 41.75166 32.25665 1.000 25.80723 H ? A ? 124 HA 1
   ATOM 3233 CB A LYS A 125 ? 11.18065 42.55877 32.91207 0.670 22.39213 C ? A ? 124 CB 1
   ATOM 3234 CG A LYS A 125 ? 10.23905 42.29930 31.68911 0.670 23.15685 C ? A ? 124 CG 1
   ATOM 3235 CD A LYS A 125 ? 9.22310 43.49324 31.47941 0.670 23.53096 C ? A ? 124 CD 1
   ATOM 3236 CE A LYS A 125 ? 8.45400 43.21262 30.19314 0.670 23.44028 C ? A ? 124 CE 1
   ATOM 3237 NZ A LYS A 125 ? 7.74656 44.47502 29.87845 0.670 21.61197 N ? A ? 124 NZ 1
   ATOM 3238 HB2 A LYS A 125 ? 10.64154 42.46643 33.71315 0.670 26.90172 H ? A ? 124 HB2 1
   ATOM 3239 HB3 A LYS A 125 ? 11.50641 43.46913 32.83451 0.670 26.90172 H ? A ? 124 HB3 1
   ATOM 3240 HG2 A LYS A 125 ? 10.77381 42.20871 30.88492 0.670 27.81938 H ? A ? 124 HG2 1
   ATOM 3241 HG3 A LYS A 125 ? 9.72952 41.48816 31.84183 0.670 27.81938 H ? A ? 124 HG3 1
   ATOM 3242 HD2 A LYS A 125 ? 8.60164 43.54171 32.22260 0.670 28.26831 H ? A ? 124 HD2 1
   ATOM 3243 HD3 A LYS A 125 ? 9.70204 44.33222 31.39218 0.670 28.26831 H ? A ? 124 HD3 1
   ATOM 3244 HE2 A LYS A 125 ? 9.06092 42.98487 29.47155 0.670 28.15949 H ? A ? 124 HE2 1
   ATOM 3245 HE3 A LYS A 125 ? 7.81187 42.49759 30.32470 0.670 28.15949 H ? A ? 124 HE3 1
   ATOM 3246 HZ1 A LYS A 125 ? 7.65801 44.56282 28.99722 0.670 25.96553 H ? A ? 124 HZ1 1
   ATOM 3247 HZ2 A LYS A 125 ? 6.93833 44.47208 30.25107 0.670 25.96553 H ? A ? 124 HZ2 1
   ATOM 3248 HZ3 A LYS A 125 ? 8.20710 45.16861 30.19299 0.670 25.96553 H ? A ? 124 HZ3 1
   ATOM 3249 CB B LYS A 125 ? 11.20197 42.56321 32.95544 0.330 22.69640 C ? A ? 124 CB 1
   ATOM 3250 CG B LYS A 125 ? 10.24634 42.31378 31.78784 0.330 22.88969 C ? A ? 124 CG 1
   ATOM 3251 CD B LYS A 125 ? 9.01436 43.28898 31.86340 0.330 24.55088 C ? A ? 124 CD 1
   ATOM 3252 CE B LYS A 125 ? 8.09352 43.03608 30.67569 0.330 24.24035 C ? A ? 124 CE 1
   ATOM 3253 NZ B LYS A 125 ? 8.57806 43.79292 29.42081 0.330 32.28843 N ? A ? 124 NZ 1
   ATOM 3254 HB2 B LYS A 125 ? 10.68713 42.47644 33.77295 0.330 27.26684 H ? A ? 124 HB2 1
   ATOM 3255 HB3 B LYS A 125 ? 11.53424 43.47025 32.86732 0.330 27.26684 H ? A ? 124 HB3 1
   ATOM 3256 HG2 B LYS A 125 ? 10.71038 42.46699 30.94993 0.330 27.49878 H ? A ? 124 HG2 1
   ATOM 3257 HG3 B LYS A 125 ? 9.92019 41.40099 31.82438 0.330 27.49878 H ? A ? 124 HG3 1
   ATOM 3258 HD2 B LYS A 125 ? 8.51964 43.13136 32.68273 0.330 29.49222 H ? A ? 124 HD2 1
   ATOM 3259 HD3 B LYS A 125 ? 9.32044 44.20890 31.83242 0.330 29.49222 H ? A ? 124 HD3 1
   ATOM 3260 HE2 B LYS A 125 ? 8.08030 42.08722 30.47475 0.330 29.11958 H ? A ? 124 HE2 1
   ATOM 3261 HE3 B LYS A 125 ? 7.19861 43.34208 30.89113 0.330 29.11958 H ? A ? 124 HE3 1
   ATOM 3262 HZ1 B LYS A 125 ? 8.10529 43.53910 28.71077 0.330 38.77727 H ? A ? 124 HZ1 1
   ATOM 3263 HZ2 B LYS A 125 ? 8.47755 44.66965 29.53636 0.330 38.77727 H ? A ? 124 HZ2 1
   ATOM 3264 HZ3 B LYS A 125 ? 9.43803 43.61781 29.27285 0.330 38.77727 H ? A ? 124 HZ3 1
   ATOM 3265 N . LYS A 126 ? 14.16826 42.86172 34.05610 1.000 48.38557 N ? A ? 125 N 1
   ATOM 3266 CA . LYS A 126 ? 14.94635 43.34788 35.21232 1.000 53.57914 C ? A ? 125 CA 1
   ATOM 3267 C . LYS A 126 ? 14.21525 44.29018 36.21129 1.000 45.30649 C ? A ? 125 C 1
   ATOM 3268 O . LYS A 126 ? 13.12208 44.77846 35.91593 1.000 62.80934 O ? A ? 125 O 1
   ATOM 3269 H . LYS A 126 ? 14.37525 43.20296 33.29432 1.000 58.09384 H ? A ? 125 H 1
   ATOM 3270 HA . LYS A 126 ? 15.12086 42.54853 35.73336 1.000 64.32613 H ? A ? 125 HA 1
   ATOM 3271 CB A LYS A 126 ? 16.23078 44.04484 34.73199 0.425 53.96537 C ? A ? 125 CB 1
   ATOM 3272 CG A LYS A 126 ? 17.00037 43.35103 33.58985 0.425 66.30746 C ? A ? 125 CG 1
   ATOM 3273 CD A LYS A 126 ? 18.34213 44.06658 33.29194 0.425 63.32503 C ? A ? 125 CD 1
   ATOM 3274 CE A LYS A 126 ? 19.16359 43.31440 32.23865 0.425 49.08393 C ? A ? 125 CE 1
   ATOM 3275 NZ A LYS A 126 ? 20.54109 43.85931 32.16965 0.425 56.09378 N ? A ? 125 NZ 1
   ATOM 3276 HB2 A LYS A 126 ? 15.99354 44.93150 34.41822 0.425 64.78961 H ? A ? 125 HB2 1
   ATOM 3277 HB3 A LYS A 126 ? 16.83791 44.11103 35.48559 0.425 64.78961 H ? A ? 125 HB3 1
   ATOM 3278 HG2 A LYS A 126 ? 17.19324 42.43465 33.84274 0.425 79.60011 H ? A ? 125 HG2 1
   ATOM 3279 HG3 A LYS A 126 ? 16.46126 43.36625 32.78361 0.425 79.60011 H ? A ? 125 HG3 1
   ATOM 3280 HD2 A LYS A 126 ? 18.16212 44.95889 32.95686 0.425 76.02119 H ? A ? 125 HD2 1
   ATOM 3281 HD3 A LYS A 126 ? 18.86607 44.11758 34.10667 0.425 76.02119 H ? A ? 125 HD3 1
   ATOM 3282 HE2 A LYS A 126 ? 19.21389 42.37511 32.47548 0.425 58.93187 H ? A ? 125 HE2 1
   ATOM 3283 HE3 A LYS A 126 ? 18.74696 43.41530 31.36851 0.425 58.93187 H ? A ? 125 HE3 1
   ATOM 3284 HZ1 A LYS A 126 ? 21.01415 43.41475 31.56082 0.425 67.34369 H ? A ? 125 HZ1 1
   ATOM 3285 HZ2 A LYS A 126 ? 20.51702 44.72007 31.94466 0.425 67.34369 H ? A ? 125 HZ2 1
   ATOM 3286 HZ3 A LYS A 126 ? 20.94033 43.77866 32.96098 0.425 67.34369 H ? A ? 125 HZ3 1
   ATOM 3287 CB B LYS A 126 ? 16.26810 43.98326 34.76241 0.575 54.12668 C ? A ? 125 CB 1
   ATOM 3288 CG B LYS A 126 ? 17.28840 43.00983 34.12856 0.575 64.62778 C ? A ? 125 CG 1
   ATOM 3289 CD B LYS A 126 ? 17.52246 41.75858 34.98171 0.575 43.34019 C ? A ? 125 CD 1
   ATOM 3290 CE B LYS A 126 ? 18.61715 40.93985 34.36080 0.575 43.56508 C ? A ? 125 CE 1
   ATOM 3291 NZ B LYS A 126 ? 19.96359 41.57553 34.58200 0.575 59.85012 N ? A ? 125 NZ 1
   ATOM 3292 HB2 B LYS A 126 ? 16.07003 44.66536 34.10179 0.575 64.98317 H ? A ? 125 HB2 1
   ATOM 3293 HB3 B LYS A 126 ? 16.69334 44.38455 35.53638 0.575 64.98317 H ? A ? 125 HB3 1
   ATOM 3294 HG2 B LYS A 126 ? 16.95768 42.72435 33.26252 0.575 77.58449 H ? A ? 125 HG2 1
   ATOM 3295 HG3 B LYS A 126 ? 18.13854 43.46536 34.02533 0.575 77.58449 H ? A ? 125 HG3 1
   ATOM 3296 HD2 B LYS A 126 ? 17.79044 42.01497 35.87801 0.575 52.03938 H ? A ? 125 HD2 1
   ATOM 3297 HD3 B LYS A 126 ? 16.71231 41.22632 35.01715 0.575 52.03938 H ? A ? 125 HD3 1
   ATOM 3298 HE2 B LYS A 126 ? 18.62583 40.05647 34.76136 0.575 52.30926 H ? A ? 125 HE2 1
   ATOM 3299 HE3 B LYS A 126 ? 18.46477 40.86944 33.40543 0.575 52.30926 H ? A ? 125 HE3 1
   ATOM 3300 HZ1 B LYS A 126 ? 20.60266 41.06458 34.23182 0.575 71.85130 H ? A ? 125 HZ1 1
   ATOM 3301 HZ2 B LYS A 126 ? 19.98943 42.37641 34.19466 0.575 71.85130 H ? A ? 125 HZ2 1
   ATOM 3302 HZ3 B LYS A 126 ? 20.11551 41.67124 35.45370 0.575 71.85130 H ? A ? 125 HZ3 1
   HETATM 3303 N . PCA A 1 ? -8.53278 29.45364 32.18303 1.000 16.19795 N ? A ? 126 N 1
   HETATM 3304 CA . PCA A 1 ? -9.28917 29.69811 33.37090 1.000 16.35028 C ? A ? 126 CA 1
   HETATM 3305 C . PCA A 1 ? -9.34962 31.15630 33.83897 1.000 16.03744 C ? A ? 126 C 1
   HETATM 3306 O . PCA A 1 ? -9.80497 31.53250 34.92380 1.000 18.84904 O ? A ? 126 O 1
   HETATM 3307 CB . PCA A 1 ? -8.58552 28.85630 34.47735 1.000 18.50320 C ? A ? 126 CB 1
   HETATM 3308 CG . PCA A 1 ? -7.21203 28.70571 33.97234 1.000 18.64884 C ? A ? 126 CG 1
   HETATM 3309 CD . PCA A 1 ? -7.31020 28.95719 32.44781 1.000 14.64231 C ? A ? 126 CD 1
   HETATM 3310 OE . PCA A 1 ? -6.42260 28.80881 31.69752 1.000 16.95928 O ? A ? 126 OE 1
   HETATM 3311 H2 . PCA A 1 ? -8.65422 28.62509 31.91294 1.000 19.46869 H ? A ? 126 H2 1
   HETATM 3312 HA . PCA A 1 ? -10.21583 29.46249 33.20755 1.000 19.65149 H ? A ? 126 HA 1
   HETATM 3313 HB2 . PCA A 1 ? -8.61274 29.31808 35.32995 1.000 22.23499 H ? A ? 126 HB2 1
   HETATM 3314 HB3 . PCA A 1 ? -9.02840 28.00099 34.59222 1.000 22.23499 H ? A ? 126 HB3 1
   HETATM 3315 HG2 . PCA A 1 ? -6.59053 29.34329 34.35721 1.000 22.40976 H ? A ? 126 HG2 1
   HETATM 3316 HG3 . PCA A 1 ? -6.84377 27.82098 34.12241 1.000 22.40976 H ? A ? 126 HG3 1
   HETATM 3317 NB . HEC A 128 ? 11.20766 31.12033 39.74302 1.000 14.48716 N ? B ? . NB 1
   HETATM 3318 ND . HEC A 128 ? 9.83075 33.68331 36.91192 1.000 13.96361 N ? B ? . ND 1
   HETATM 3319 C1A . HEC A 128 ? 9.45203 34.99313 39.59613 1.000 16.64797 C ? B ? . C1A 1
   HETATM 3320 C1B . HEC A 128 ? 11.35907 31.33697 41.04198 1.000 14.97552 C ? B ? . C1B 1
   HETATM 3321 C1C . HEC A 128 ? 11.50577 29.78274 37.03792 1.000 13.56307 C ? B ? . C1C 1
   HETATM 3322 C1D . HEC A 128 ? 9.78573 33.46526 35.61825 1.000 14.82446 C ? B ? . C1D 1
   HETATM 3323 C2B . HEC A 128 ? 11.98813 30.19063 41.72952 1.000 14.06538 C ? B ? . C2B 1
   HETATM 3324 C2C . HEC A 128 ? 11.66116 29.14777 35.78225 1.000 14.79675 C ? B ? . C2C 1
   HETATM 3325 C2D . HEC A 128 ? 9.10049 34.59023 34.93107 1.000 14.44197 C ? B ? . C2D 1
   HETATM 3326 C3A . HEC A 128 ? 9.74237 34.73667 41.82944 1.000 21.63823 C ? B ? . C3A 1
   HETATM 3327 C3B . HEC A 128 ? 12.14290 29.33429 40.76156 1.000 13.59876 C ? B ? . C3B 1
   HETATM 3328 C3C . HEC A 128 ? 11.19810 30.04984 34.77600 1.000 14.09692 C ? B ? . C3C 1
   HETATM 3329 C3D . HEC A 128 ? 8.73683 35.42994 35.94467 1.000 15.08093 C ? B ? . C3D 1
   HETATM 3330 C4A . HEC A 128 ? 10.24435 33.58810 41.09645 1.000 17.84519 C ? B ? . C4A 1
   HETATM 3331 C4B . HEC A 128 ? 11.78476 29.84011 39.48318 1.000 13.83876 C ? B ? . C4B 1
   HETATM 3332 C4C . HEC A 128 ? 10.84624 31.19682 35.53960 1.000 14.60910 C ? B ? . C4C 1
   HETATM 3333 C4D . HEC A 128 ? 9.16206 34.94007 37.20597 1.000 13.89794 C ? B ? . C4D 1
   HETATM 3334 CAB . HEC A 128 ? 12.84855 27.93177 40.84802 1.000 15.21219 C ? B ? . CAB 1
   HETATM 3335 CAC . HEC A 128 ? 11.13071 29.96583 33.30123 1.000 14.55630 C ? B ? . CAC 1
   HETATM 3336 CAD . HEC A 128 ? 7.88020 36.74167 35.75477 1.000 15.22469 C ? B ? . CAD 1
   HETATM 3337 CBB . HEC A 128 ? 12.45358 27.11033 42.06521 1.000 16.86277 C ? B ? . CBB 1
   HETATM 3338 CBC . HEC A 128 ? 10.98165 28.50499 32.79416 1.000 16.47784 C ? B ? . CBC 1
   HETATM 3339 CBD . HEC A 128 ? 6.35438 36.37437 35.89122 1.000 17.65344 C ? B ? . CBD 1
   HETATM 3340 CGD . HEC A 128 ? 5.39653 37.64183 35.72009 1.000 16.88331 C ? B ? . CGD 1
   HETATM 3341 CHA . HEC A 128 ? 9.07295 35.45008 38.38407 1.000 15.55001 C ? B ? . CHA 1
   HETATM 3342 CHB . HEC A 128 ? 10.88362 32.46488 41.72238 1.000 16.83937 C ? B ? . CHB 1
   HETATM 3343 CHC . HEC A 128 ? 11.83238 29.30533 38.30951 1.000 14.24696 C ? B ? . CHC 1
   HETATM 3344 CHD . HEC A 128 ? 10.24847 32.35804 34.90086 1.000 14.33119 C ? B ? . CHD 1
   HETATM 3345 CMA . HEC A 128 ? 9.72859 34.86713 43.39223 1.000 21.97130 C ? B ? . CMA 1
   HETATM 3346 CMB . HEC A 128 ? 12.21607 30.08460 43.23164 1.000 17.09321 C ? B ? . CMB 1
   HETATM 3347 CMC . HEC A 128 ? 12.25643 27.77009 35.59198 1.000 15.91995 C ? B ? . CMC 1
   HETATM 3348 CMD . HEC A 128 ? 8.89321 34.72189 33.44361 1.000 18.18980 C ? B ? . CMD 1
   HETATM 3349 NA . HEC A 128 ? 10.07592 33.72475 39.81475 1.000 16.03011 N ? B ? . NA 1
   HETATM 3350 NC . HEC A 128 ? 10.93337 31.04534 36.84159 1.000 13.18918 N ? B ? . NC 1
   HETATM 3351 O1D . HEC A 128 ? 5.75721 38.56320 36.46129 1.000 18.02509 O ? B ? . O1D 1
   HETATM 3352 O2D . HEC A 128 ? 4.55825 37.56650 34.89287 1.000 17.30260 O ? B ? . O2D 1
   HETATM 3353 FE . HEC A 128 ? 10.56583 32.42288 38.34438 1.000 13.99484 Fe ? B ? . FE 1
   HETATM 3354 C2A A HEC A 128 ? 9.23483 35.57048 40.91830 0.537 20.96216 C ? B ? . C2A 1
   HETATM 3355 CAA A HEC A 128 ? 8.44164 36.86555 41.39754 0.537 17.98079 C ? B ? . CAA 1
   HETATM 3356 CBA A HEC A 128 ? 6.91491 36.54995 41.39755 0.537 16.04193 C ? B ? . CBA 1
   HETATM 3357 CGA A HEC A 128 ? 6.00746 37.76289 41.79265 0.537 18.03951 C ? B ? . CGA 1
   HETATM 3358 O1A A HEC A 128 ? 5.85566 38.78181 40.97563 0.537 16.38265 O ? B ? . O1A 1
   HETATM 3359 O2A A HEC A 128 ? 5.31749 37.54527 42.82965 0.537 22.43138 O ? B ? . O2A 1
   HETATM 3360 C2A B HEC A 128 ? 9.32619 35.58893 40.84795 0.463 19.64060 C ? B ? . C2A 1
   HETATM 3361 CAA B HEC A 128 ? 8.66207 36.99090 40.85727 0.463 17.43243 C ? B ? . CAA 1
   HETATM 3362 CBA B HEC A 128 ? 9.81838 37.89765 41.28765 0.463 24.04598 C ? B ? . CBA 1
   HETATM 3363 CGA B HEC A 128 ? 10.28217 38.91805 40.24698 0.463 37.02743 C ? B ? . CGA 1
   HETATM 3364 O1A B HEC A 128 ? 9.49182 39.53001 39.40709 0.463 30.52510 O ? B ? . O1A 1
   HETATM 3365 O2A B HEC A 128 ? 11.51454 39.19929 40.22121 0.463 32.71149 O ? B ? . O2A 1
   HETATM 3366 C A CMO A 129 ? 8.72127 30.51748 37.97662 0.331 13.76522 C ? C ? . C 1
   HETATM 3367 O A CMO A 129 ? 9.24267 31.69455 38.38030 0.331 12.58495 O ? C ? . O 1
   HETATM 3368 C B CMO A 129 ? 8.48107 31.64644 37.98894 0.669 28.15539 C ? C ? . C 1
   HETATM 3369 O B CMO A 129 ? 7.77143 31.11169 38.61580 0.669 20.44720 O ? C ? . O 1
   HETATM 3370 C1 . ASC A 130 ? 14.73268 31.42896 45.10870 0.684 26.86570 C ? D ? . C1 1
   HETATM 3371 C2 . ASC A 130 ? 14.20584 32.53900 44.38816 0.684 23.49208 C ? D ? . C2 1
   HETATM 3372 C3 . ASC A 130 ? 14.78978 32.47331 43.18171 0.684 23.97309 C ? D ? . C3 1
   HETATM 3373 C4 . ASC A 130 ? 15.75604 31.35966 42.99864 0.684 24.40852 C ? D ? . C4 1
   HETATM 3374 C5 . ASC A 130 ? 17.20167 31.80690 42.76703 0.684 46.92467 C ? D ? . C5 1
   HETATM 3375 C6 . ASC A 130 ? 18.15168 30.62144 42.62048 0.684 26.50490 C ? D ? . C6 1
   HETATM 3376 O1 . ASC A 130 ? 14.46864 31.02715 46.22708 0.684 28.50455 O ? D ? . O1 1
   HETATM 3377 O2 . ASC A 130 ? 13.16125 33.25345 44.88437 0.684 20.09769 O ? D ? . O2 1
   HETATM 3378 O3 . ASC A 130 ? 14.57148 33.21413 42.13471 0.684 25.20103 O ? D ? . O3 1
   HETATM 3379 O4 . ASC A 130 ? 15.61248 30.81407 44.29763 0.684 22.35419 O ? D ? . O4 1
   HETATM 3380 O5 . ASC A 130 ? 17.55635 32.80969 43.72114 0.684 38.85613 O ? D ? . O5 1
   HETATM 3381 O6 . ASC A 130 ? 19.46187 31.19142 42.37211 0.684 31.41305 O ? D ? . O6 1
   HETATM 3382 H4 . ASC A 130 ? 15.53322 30.74170 42.28494 0.684 29.32138 H ? D ? . H4 1
   HETATM 3383 H5 . ASC A 130 ? 17.24839 32.24268 41.90169 0.684 56.34076 H ? D ? . H5 1
   HETATM 3384 H61 . ASC A 130 ? 18.12283 30.08557 43.42851 0.684 31.83704 H ? D ? . H61 1
   HETATM 3385 H62 . ASC A 130 ? 17.84629 30.05342 41.89593 0.684 31.83704 H ? D ? . H62 1
   HETATM 3386 HO2 . ASC A 130 ? 12.53261 33.28012 44.31288 0.684 24.14838 H ? D ? . HO2 1
   HETATM 3387 HO3 . ASC A 130 ? 15.13435 33.84885 42.08174 0.684 30.27239 H ? D ? . HO3 1
   HETATM 3388 HO5 . ASC A 130 ? 18.27715 33.18880 43.47778 0.684 46.65851 H ? D ? . HO5 1
   HETATM 3389 HO6 . ASC A 130 ? 20.04261 30.58436 42.50138 0.684 37.72682 H ? D ? . HO6 1
   HETATM 3390 O1 . SO4 A 131 ? 14.81116 36.86342 42.79501 0.596 31.45572 O ? E ? . O1 1
   HETATM 3391 O2 . SO4 A 131 ? 13.17958 35.23909 42.16589 0.596 28.30223 O ? E ? . O2 1
   HETATM 3392 O3 . SO4 A 131 ? 13.44837 35.90622 44.57042 0.596 28.61954 O ? E ? . O3 1
   HETATM 3393 O4 . SO4 A 131 ? 12.47743 37.48461 42.97209 0.596 33.92156 O ? E ? . O4 1
   HETATM 3394 S . SO4 A 131 ? 13.45928 36.38489 43.14185 0.596 26.63063 S ? E ? . S 1
   HETATM 3395 O1 . SO4 A 132 ? 14.39620 45.31891 29.36201 0.668 60.85442 O ? F ? . O1 1
   HETATM 3396 O2 . SO4 A 132 ? 13.18282 43.22077 29.55226 0.668 36.13235 O ? F ? . O2 1
   HETATM 3397 O3 . SO4 A 132 ? 14.58011 43.96618 31.41345 0.668 39.11827 O ? F ? . O3 1
   HETATM 3398 O4 . SO4 A 132 ? 12.48920 45.23578 30.94525 0.668 33.78937 O ? F ? . O4 1
   HETATM 3399 S . SO4 A 132 ? 13.64108 44.43199 30.33126 0.668 51.02915 S ? F ? . S 1
   HETATM 3400 O . HOH A 2001 ? -5.47322 29.07030 29.11200 0.906 27.16527 O ? G ? . O 1
   HETATM 3401 O . HOH A 2002 ? -4.05447 27.87873 32.63528 0.895 20.21753 O ? G ? . O 1
   HETATM 3402 O . HOH A 2003 ? -12.53410 33.11293 35.68099 1.000 26.24427 O ? G ? . O 1
   HETATM 3404 O . HOH A 2005 ? -12.00438 36.89662 37.29371 0.908 34.72661 O ? G ? . O 1
   HETATM 3405 O . HOH A 2006 ? -8.71120 33.79122 38.01747 0.995 23.15097 O ? G ? . O 1
   HETATM 3406 O . HOH A 2007 ? -14.53921 34.19303 31.63901 1.000 32.59644 O ? G ? . O 1
   HETATM 3407 O . HOH A 2008 ? -9.14328 41.75673 28.51414 0.815 28.22258 O ? G ? . O 1
   HETATM 3408 O . HOH A 2010 ? -10.45522 34.87958 36.12378 0.915 21.04269 O ? G ? . O 1
   HETATM 3410 O A HOH A 2013 ? -4.47829 44.19941 28.42620 0.616 18.19114 O ? G ? . O 1
   HETATM 3411 O B HOH A 2013 ? -5.44955 43.41039 27.78595 0.384 24.96619 O ? G ? . O 1
   HETATM 3412 O . HOH A 2018 ? -2.42659 23.79190 35.32424 0.938 27.48316 O ? G ? . O 1
   HETATM 3413 O . HOH A 2019 ? -2.26028 41.21475 37.25619 0.776 28.01032 O ? G ? . O 1
   HETATM 3414 O . HOH A 2020 ? -6.98890 43.21105 29.74045 0.775 21.92796 O ? G ? . O 1
   HETATM 3415 O . HOH A 2021 ? -3.00176 44.08517 30.88338 0.668 21.52496 O ? G ? . O 1
   HETATM 3417 O . HOH A 2023 ? 7.39368 9.15032 57.41157 0.814 38.22176 O ? G ? . O 1
   HETATM 3418 O . HOH A 2024 ? -6.06437 34.42130 38.80548 0.895 23.39506 O ? G ? . O 1
   HETATM 3419 O . HOH A 2025 ? -11.25492 39.43082 35.82064 1.000 31.30627 O ? G ? . O 1
   HETATM 3420 O . HOH A 2026 ? -8.54516 37.42330 39.60790 0.664 30.29466 O ? G ? . O 1
   HETATM 3421 O . HOH A 2027 ? -8.10449 40.96219 37.74401 1.000 40.91218 O ? G ? . O 1
   HETATM 3422 O . HOH A 2028 ? 10.05212 33.04827 49.89545 0.998 32.96577 O ? G ? . O 1
   HETATM 3423 O . HOH A 2029 ? 18.57684 32.36884 50.98672 0.949 43.17024 O ? G ? . O 1
   HETATM 3425 O . HOH A 2031 ? -6.75172 36.00370 40.88267 0.564 20.51104 O ? G ? . O 1
   HETATM 3426 O . HOH A 2032 ? -7.05151 37.07593 45.25508 0.999 26.77588 O ? G ? . O 1
   HETATM 3427 O . HOH A 2033 ? -8.89127 35.65347 43.74828 0.881 30.65780 O ? G ? . O 1
   HETATM 3429 O . HOH A 2035 ? 13.34955 23.48343 58.40598 0.995 16.25352 O ? G ? . O 1
   HETATM 3430 O . HOH A 2036 ? 14.62647 25.87469 58.28185 0.976 18.50408 O ? G ? . O 1
   HETATM 3431 O . HOH A 2038 ? 19.29145 29.11179 46.43450 0.970 29.56223 O ? G ? . O 1
   HETATM 3432 O . HOH A 2039 ? 22.20667 27.16514 48.98858 0.955 33.79625 O ? G ? . O 1
   HETATM 3433 O . HOH A 2040 ? -1.62732 26.13751 36.44159 0.896 14.79914 O ? G ? . O 1
   HETATM 3434 O . HOH A 2042 ? 15.81520 27.39279 60.28815 0.490 17.73556 O ? G ? . O 1
   HETATM 3436 O . HOH A 2044 ? 19.11935 11.81704 61.31806 0.782 33.93538 O ? G ? . O 1
   HETATM 3438 O . HOH A 2047 ? 12.18708 9.11901 57.06815 1.000 33.21333 O ? G ? . O 1
   HETATM 3439 O . HOH A 2048 ? 10.34456 10.85158 60.54715 0.819 35.63645 O ? G ? . O 1
   HETATM 3440 O . HOH A 2049 ? 8.76187 10.94689 64.24874 1.000 36.47322 O ? G ? . O 1
   HETATM 3441 O . HOH A 2050 ? 13.38901 11.13707 64.98433 0.700 28.37856 O ? G ? . O 1
   HETATM 3443 O . HOH A 2052 ? 8.14853 10.06308 54.91002 1.000 26.25263 O ? G ? . O 1
   HETATM 3444 O . HOH A 2053 ? 2.85170 18.62042 53.34608 0.984 27.46547 O ? G ? . O 1
   HETATM 3445 O . HOH A 2054 ? 1.52279 16.59806 49.07313 0.869 26.12492 O ? G ? . O 1
   HETATM 3446 O . HOH A 2056 ? 7.94308 33.70190 48.29684 0.901 20.54157 O ? G ? . O 1
   HETATM 3447 O . HOH A 2058 ? 7.29796 16.45411 38.91688 0.553 20.43194 O ? G ? . O 1
   HETATM 3448 O . HOH A 2059 ? 6.72956 14.21065 37.39377 0.686 35.00274 O ? G ? . O 1
   HETATM 3449 O . HOH A 2060 ? 9.04555 12.60585 40.73044 1.000 31.32824 O ? G ? . O 1
   HETATM 3450 O . HOH A 2061 ? -0.96988 20.67664 37.39588 0.925 23.01334 O ? G ? . O 1
   HETATM 3451 O . HOH A 2062 ? 8.08750 11.95002 38.19026 0.866 35.48549 O ? G ? . O 1
   HETATM 3452 O . HOH A 2064 ? 1.73179 23.84892 31.21236 0.975 28.42763 O ? G ? . O 1
   HETATM 3455 O . HOH A 2068 ? 9.20445 31.17336 52.88070 0.933 20.46356 O ? G ? . O 1
   HETATM 3456 O . HOH A 2070 ? -8.06882 40.80050 25.85580 0.893 35.15114 O ? G ? . O 1
   HETATM 3457 O . HOH A 2071 ? 14.08727 32.01762 51.01263 0.963 31.97051 O ? G ? . O 1
   HETATM 3458 O . HOH A 2072 ? 15.52960 30.46291 53.92966 0.873 27.66589 O ? G ? . O 1
   HETATM 3459 O . HOH A 2073 ? 16.63276 30.84253 50.19614 0.950 26.52056 O ? G ? . O 1
   HETATM 3460 O . HOH A 2074 ? 13.12707 38.24709 19.41981 0.791 24.24702 O ? G ? . O 1
   HETATM 3462 O . HOH A 2076 ? 12.60634 23.60949 55.66546 1.000 20.49929 O ? G ? . O 1
   HETATM 3463 O . HOH A 2077 ? 13.01334 27.64594 56.76911 1.000 19.98288 O ? G ? . O 1
   HETATM 3464 O . HOH A 2078 ? 7.75210 23.11013 55.10047 0.993 22.59959 O ? G ? . O 1
   HETATM 3466 O . HOH A 2080 ? 4.64519 24.36382 56.78196 0.892 30.36291 O ? G ? . O 1
   HETATM 3467 O . HOH A 2081 ? 4.01277 27.32687 55.05433 1.000 18.58171 O ? G ? . O 1
   HETATM 3469 O . HOH A 2083 ? 11.03222 35.75799 16.32926 0.816 31.93423 O ? G ? . O 1
   HETATM 3470 O . HOH A 2084 ? 6.76955 26.38050 19.51365 0.937 33.61137 O ? G ? . O 1
   HETATM 3471 O . HOH A 2085 ? 5.11948 25.95543 23.70177 1.000 30.67082 O ? G ? . O 1
   HETATM 3472 O . HOH A 2086 ? 8.59264 22.93645 21.83197 0.896 41.48246 O ? G ? . O 1
   HETATM 3473 O . HOH A 2087 ? 19.94463 28.69451 49.02231 0.847 26.79966 O ? G ? . O 1
   HETATM 3474 O . HOH A 2088 ? 21.91436 31.35013 32.01205 0.957 35.76297 O ? G ? . O 1
   HETATM 3476 O . HOH A 2091 ? 20.45922 19.87531 57.75154 1.000 18.95357 O ? G ? . O 1
   HETATM 3478 O . HOH A 2096 ? 20.97538 31.22662 49.83654 0.978 48.24103 O ? G ? . O 1
   HETATM 3480 O . HOH A 2099 ? 25.30256 20.74841 59.63659 0.975 30.88054 O ? G ? . O 1
   HETATM 3481 O . HOH A 2100 ? 18.42611 27.85295 60.87762 1.000 24.45256 O ? G ? . O 1
   HETATM 3482 O . HOH A 2101 ? 19.08771 27.36567 64.31930 1.000 29.17008 O ? G ? . O 1
   HETATM 3483 O . HOH A 2102 ? 21.93024 27.28058 63.09838 0.891 22.36207 O ? G ? . O 1
   HETATM 3484 O . HOH A 2103 ? 19.40749 29.75236 59.12565 0.994 36.92242 O ? G ? . O 1
   HETATM 3486 O . HOH A 2105 ? 13.08522 7.89197 43.42619 0.732 23.70210 O ? G ? . O 1
   HETATM 3488 O . HOH A 2107 ? 14.46295 19.05469 57.68962 1.000 16.95978 O ? G ? . O 1
   HETATM 3489 O . HOH A 2108 ? 14.52058 21.64580 60.11606 0.985 17.75978 O ? G ? . O 1
   HETATM 3490 O . HOH A 2109 ? 19.81971 16.77233 61.39618 0.875 21.73205 O ? G ? . O 1
   HETATM 3491 O . HOH A 2110 ? 15.34753 12.00734 59.36280 1.000 28.80381 O ? G ? . O 1
   HETATM 3492 O . HOH A 2111 ? 19.44631 14.20563 60.12463 0.994 27.29378 O ? G ? . O 1
   HETATM 3493 O . HOH A 2112 ? 16.42868 15.34124 62.29768 0.902 25.14284 O ? G ? . O 1
   HETATM 3494 O . HOH A 2113 ? 14.13994 13.94115 52.54596 0.941 17.36075 O ? G ? . O 1
   HETATM 3495 O . HOH A 2114 ? 26.88010 19.60878 46.59065 1.000 28.72668 O ? G ? . O 1
   HETATM 3497 O . HOH A 2116 ? 8.27438 14.85656 59.62686 0.835 31.12509 O ? G ? . O 1
   HETATM 3498 O . HOH A 2117 ? 12.41824 11.31273 58.89178 1.000 23.76788 O ? G ? . O 1
   HETATM 3499 O . HOH A 2119 ? 12.78668 13.19884 63.33124 1.000 41.25862 O ? G ? . O 1
   HETATM 3500 O . HOH A 2120 ? 15.19627 13.13118 62.01889 0.977 40.23005 O ? G ? . O 1
   HETATM 3501 O . HOH A 2121 ? 22.22542 25.85938 46.61082 0.974 28.97208 O ? G ? . O 1
   HETATM 3502 O . HOH A 2122 ? 25.03651 23.16471 44.88034 0.826 35.49748 O ? G ? . O 1
   HETATM 3504 O . HOH A 2124 ? 10.99906 9.95402 54.71757 1.000 24.59737 O ? G ? . O 1
   HETATM 3505 O . HOH A 2125 ? 7.03394 12.54725 54.45312 0.964 21.14445 O ? G ? . O 1
   HETATM 3506 O . HOH A 2126 ? 23.43355 29.63376 38.91969 0.806 33.19694 O ? G ? . O 1
   HETATM 3507 O . HOH A 2127 ? 7.00306 19.18950 55.66522 1.000 20.70210 O ? G ? . O 1
   HETATM 3508 O . HOH A 2128 ? 7.58595 21.44556 57.29104 0.960 23.39278 O ? G ? . O 1
   HETATM 3509 O . HOH A 2129 ? 9.54280 14.30738 47.77231 0.879 20.54847 O ? G ? . O 1
   HETATM 3511 O . HOH A 2131 ? 6.80104 8.38221 53.14054 1.000 36.80698 O ? G ? . O 1
   HETATM 3512 O . HOH A 2132 ? 10.98499 7.60845 50.87514 0.847 29.66199 O ? G ? . O 1
   HETATM 3513 O . HOH A 2133 ? 3.25448 16.87578 51.18426 1.000 21.67303 O ? G ? . O 1
   HETATM 3514 O A HOH A 2134 ? 5.30253 20.01359 53.60682 0.592 21.00572 O ? G ? . O 1
   HETATM 3515 O B HOH A 2134 ? 5.92609 21.29732 53.64955 0.408 22.61850 O ? G ? . O 1
   HETATM 3516 O . HOH A 2135 ? 10.46705 22.24052 54.46213 0.974 21.78076 O ? G ? . O 1
   HETATM 3517 O . HOH A 2136 ? 8.18760 14.91047 45.48162 0.986 21.43965 O ? G ? . O 1
   HETATM 3518 O . HOH A 2137 ? 1.32805 17.91670 46.67943 0.752 29.00046 O ? G ? . O 1
   HETATM 3519 O . HOH A 2138 ? 5.47233 12.53110 52.16391 1.000 30.88911 O ? G ? . O 1
   HETATM 3520 O . HOH A 2139 ? 3.06270 14.36467 52.13533 0.893 34.14351 O ? G ? . O 1
   HETATM 3521 O . HOH A 2140 ? 7.24830 11.50728 47.27155 0.884 33.49741 O ? G ? . O 1
   HETATM 3522 O . HOH A 2141 ? 4.86503 17.88559 38.76564 0.953 26.09639 O ? G ? . O 1
   HETATM 3526 O . HOH A 2145 ? 0.50544 20.31245 39.70041 1.000 19.19359 O ? G ? . O 1
   HETATM 3528 O . HOH A 2147 ? 1.40864 24.63233 33.93609 0.817 24.40569 O ? G ? . O 1
   HETATM 3529 O . HOH A 2148 ? 3.83921 21.51106 33.70990 0.822 25.71134 O ? G ? . O 1
   HETATM 3531 O . HOH A 2152 ? 4.55600 28.36229 29.46684 0.867 21.64534 O ? G ? . O 1
   HETATM 3533 O . HOH A 2154 ? -2.62749 31.51222 30.54537 1.000 19.93502 O ? G ? . O 1
   HETATM 3534 O . HOH A 2155 ? 1.34704 30.67553 25.00177 0.989 32.90868 O ? G ? . O 1
   HETATM 3535 O . HOH A 2156 ? 3.83294 29.98570 27.37563 0.951 26.62354 O ? G ? . O 1
   HETATM 3536 O . HOH A 2157 ? -4.47211 32.07845 26.55644 0.855 30.19714 O ? G ? . O 1
   HETATM 3537 O . HOH A 2159 ? 0.28088 35.78755 22.78034 0.957 24.64498 O ? G ? . O 1
   HETATM 3539 O . HOH A 2161 ? -1.71196 40.77792 27.54571 0.888 23.06459 O ? G ? . O 1
   HETATM 3540 O . HOH A 2162 ? -1.60063 41.78305 31.50078 0.924 25.45370 O ? G ? . O 1
   HETATM 3541 O . HOH A 2165 ? 12.62320 41.74156 26.32663 0.982 38.47510 O ? G ? . O 1
   HETATM 3543 O . HOH A 2167 ? 9.08436 39.20705 21.36304 0.792 21.54243 O ? G ? . O 1
   HETATM 3544 O . HOH A 2168 ? 11.79419 40.37544 20.73654 0.958 26.02775 O ? G ? . O 1
   HETATM 3545 O . HOH A 2169 ? 5.39987 30.23007 25.30272 0.919 22.86011 O ? G ? . O 1
   HETATM 3546 O . HOH A 2170 ? 6.73843 30.96999 19.32001 0.993 41.55058 O ? G ? . O 1
   HETATM 3547 O . HOH A 2171 ? 3.50897 32.06811 21.40767 0.816 30.38982 O ? G ? . O 1
   HETATM 3548 O . HOH A 2172 ? 11.46645 32.01296 17.64851 1.000 43.18530 O ? G ? . O 1
   HETATM 3549 O . HOH A 2173 ? 11.49511 36.08117 19.11833 0.810 26.32591 O ? G ? . O 1
   HETATM 3550 O . HOH A 2174 ? 12.07545 29.18603 20.45189 1.000 34.24969 O ? G ? . O 1
   HETATM 3551 O . HOH A 2175 ? 14.60651 33.04271 23.57410 0.943 37.28936 O ? G ? . O 1
   HETATM 3552 O . HOH A 2176 ? 8.80811 28.15667 18.99177 1.000 42.12302 O ? G ? . O 1
   HETATM 3553 O . HOH A 2177 ? 6.50823 27.70505 25.60907 0.904 22.68875 O ? G ? . O 1
   HETATM 3554 O . HOH A 2178 ? 6.76827 25.04643 21.86979 0.903 31.97310 O ? G ? . O 1
   HETATM 3555 O . HOH A 2179 ? 11.00357 23.00225 23.40048 0.828 33.01231 O ? G ? . O 1
   HETATM 3558 O B HOH A 2181 ? 12.18741 18.92228 27.01080 0.918 39.79383 O ? G ? . O 1
   HETATM 3560 O B HOH A 2182 ? 13.97772 20.43068 28.15515 0.665 27.56406 O ? G ? . O 1
   HETATM 3561 O A HOH A 2185 ? 19.49501 31.23339 30.39203 0.506 21.63318 O ? G ? . O 1
   HETATM 3562 O B HOH A 2185 ? 20.08712 32.21289 31.00527 0.494 23.20405 O ? G ? . O 1
   HETATM 3564 O . HOH A 2187 ? 5.78661 26.32507 28.01570 0.940 25.14208 O ? G ? . O 1
   HETATM 3565 O . HOH A 2189 ? 9.86403 17.89297 32.42777 0.761 28.31032 O ? G ? . O 1
   HETATM 3567 O . HOH A 2193 ? 13.44625 18.04240 29.24605 0.916 29.55463 O ? G ? . O 1
   HETATM 3568 O . HOH A 2194 ? 16.60228 16.03559 31.50774 0.959 21.90178 O ? G ? . O 1
   HETATM 3569 O . HOH A 2195 ? 17.70723 18.56652 40.90576 0.785 17.00463 O ? G ? . O 1
   HETATM 3570 O . HOH A 2196 ? 20.85980 22.78560 36.99745 0.996 23.64140 O ? G ? . O 1
   HETATM 3571 O . HOH A 2197 ? 11.59114 11.59708 41.36337 1.000 22.40299 O ? G ? . O 1
   HETATM 3572 O . HOH A 2198 ? 18.51086 12.95758 43.02316 0.642 23.29231 O ? G ? . O 1
   HETATM 3575 O . HOH A 2201 ? 8.84922 15.40440 40.91217 0.771 25.73402 O ? G ? . O 1
   HETATM 3576 O . HOH A 2202 ? 14.98439 8.16340 45.37839 1.000 25.10075 O ? G ? . O 1
   HETATM 3577 O . HOH A 2203 ? 18.81534 10.88615 44.44006 0.615 25.55560 O ? G ? . O 1
   HETATM 3578 O . HOH A 2204 ? 12.83233 10.27303 52.76839 1.000 26.12663 O ? G ? . O 1
   HETATM 3579 O . HOH A 2205 ? 14.52992 6.07406 47.25388 0.983 39.59329 O ? G ? . O 1
   HETATM 3580 O . HOH A 2207 ? 14.23860 8.02462 53.44144 1.000 33.87925 O ? G ? . O 1
   HETATM 3581 O . HOH A 2209 ? 11.21780 9.93092 43.43175 1.000 25.75148 O ? G ? . O 1
   HETATM 3582 O . HOH A 2210 ? 17.77239 9.64369 55.99781 0.990 35.68553 O ? G ? . O 1
   HETATM 3584 O . HOH A 2212 ? 21.75025 12.34824 55.10753 0.964 33.75941 O ? G ? . O 1
   HETATM 3585 O . HOH A 2213 ? 25.24792 9.98543 49.57850 0.961 36.09778 O ? G ? . O 1
   HETATM 3587 O . HOH A 2215 ? 25.42882 11.11044 52.48705 0.928 29.97107 O ? G ? . O 1
   HETATM 3588 O . HOH A 2216 ? 26.36905 16.99916 47.50391 1.000 28.95270 O ? G ? . O 1
   HETATM 3590 O . HOH A 2218 ? 28.25383 12.03171 53.63184 0.925 30.12361 O ? G ? . O 1
   HETATM 3591 O . HOH A 2219 ? 29.61995 15.69752 51.86669 0.765 27.54556 O ? G ? . O 1
   HETATM 3594 O . HOH A 2222 ? 21.21720 9.96778 43.45579 0.875 29.32598 O ? G ? . O 1
   HETATM 3595 O . HOH A 2223 ? 22.86763 23.50801 47.36194 1.000 31.42536 O ? G ? . O 1
   HETATM 3596 O . HOH A 2225 ? 24.46262 21.26791 43.00207 1.000 29.45368 O ? G ? . O 1
   HETATM 3597 O . HOH A 2226 ? 20.12597 26.97410 44.86466 1.000 30.15072 O ? G ? . O 1
   HETATM 3598 O . HOH A 2228 ? 24.33921 23.39020 40.92255 1.000 28.10235 O ? G ? . O 1
   HETATM 3599 O . HOH A 2229 ? 22.04869 27.20272 42.74978 0.921 36.58494 O ? G ? . O 1
   HETATM 3600 O . HOH A 2230 ? 23.54105 23.00731 38.08607 0.937 25.76893 O ? G ? . O 1
   HETATM 3601 O . HOH A 2231 ? 21.74933 29.57179 41.43017 0.904 36.14512 O ? G ? . O 1
   HETATM 3602 O . HOH A 2232 ? 20.70362 25.74025 34.84518 0.841 31.70621 O ? G ? . O 1
   HETATM 3603 O . HOH A 2233 ? 22.01402 29.46226 36.44046 0.954 24.80023 O ? G ? . O 1
   HETATM 3604 O . HOH A 2234 ? 15.69720 26.90243 33.24657 1.000 27.61080 O ? G ? . O 1
   HETATM 3605 O . HOH A 2235 ? 18.77433 24.20613 33.86262 0.599 18.53147 O ? G ? . O 1
   HETATM 3606 O . HOH A 2236 ? 18.48296 36.06202 38.20599 0.988 36.40227 O ? G ? . O 1
   HETATM 3607 O . HOH A 2237 ? 22.06534 31.90202 34.92111 0.814 29.65277 O ? G ? . O 1
   HETATM 3609 O . HOH A 2240 ? 17.02318 34.30652 39.81388 1.000 23.69399 O ? G ? . O 1
   HETATM 3611 O . HOH A 2243 ? 14.71619 39.64056 36.61202 0.801 26.97307 O ? G ? . O 1
   HETATM 3614 O . HOH A 2248 ? 7.10919 38.68477 38.71310 1.000 21.00244 O ? G ? . O 1
   HETATM 3617 O . HOH A 2254 ? 11.20815 42.84186 28.00333 0.873 38.21229 O ? G ? . O 1
   HETATM 5829 O . HOH S 2255 ? 8.59479 18.07340 37.55701 0.876 26.19186 O ? H ? . O 1
   HETATM 5830 O . HOH S 2256 ? 7.09604 20.00527 38.48150 0.933 27.34346 O ? H ? . O 1
   HETATM 5831 O . HOH S 2257 ? 3.87894 42.86901 38.10217 1.000 37.93137 O ? H ? . O 1
   HETATM 5832 O . HOH S 2258 ? -1.05202 37.38640 42.71814 0.673 28.22210 O ? H ? . O 1
   HETATM 5834 O . HOH S 2260 ? 1.74741 25.37517 29.10123 0.855 30.12717 O ? H ? . O 1
   HETATM 5835 O . HOH S 2261 ? 24.03899 26.12579 41.67071 0.917 39.08626 O ? H ? . O 1
   HETATM 5836 O . HOH S 2262 ? 17.63819 22.42253 26.12206 0.504 24.64439 O ? H ? . O 1
   HETATM 5837 O . HOH S 2263 ? 21.06698 14.56678 43.84204 0.825 28.95444 O ? H ? . O 1
   HETATM 5838 O . HOH S 2264 ? -2.01363 27.96382 28.55179 1.000 38.36778 O ? H ? . O 1
   HETATM 5839 O . HOH S 2265 ? -3.07053 22.41227 37.18597 0.437 21.52148 O ? H ? . O 1
   HETATM 5840 O . HOH S 2266 ? 20.45464 29.44997 56.18013 0.878 38.70640 O ? H ? . O 1
   HETATM 5842 O . HOH S 2268 ? 16.46618 38.94799 34.57111 0.881 36.66529 O ? H ? . O 1
   HETATM 5843 O . HOH S 2269 ? 7.19637 11.53892 42.24869 0.637 30.41315 O ? H ? . O 1
   HETATM 5845 O . HOH S 2271 ? 0.81295 28.83253 29.43611 0.473 24.41760 O ? H ? . O 1
   HETATM 5846 O . HOH S 2272 ? -11.63217 35.95733 43.77697 0.706 32.78054 O ? H ? . O 1
   HETATM 5847 O . HOH S 2273 ? 7.75608 12.23036 44.64496 1.000 44.26558 O ? H ? . O 1
   HETATM 5848 O . HOH S 2274 ? 19.02798 11.92325 64.03928 1.000 40.95499 O ? H ? . O 1
   HETATM 5851 O . HOH S 2277 ? 21.26119 16.11181 41.52565 0.894 37.74765 O ? H ? . O 1
   HETATM 5853 O . HOH S 2279 ? 21.03856 31.61222 54.36653 1.000 49.47400 O ? H ? . O 1
   HETATM 5854 O . HOH S 2280 ? 25.91192 21.99231 47.45663 0.805 33.95222 O ? H ? . O 1
   HETATM 5857 O . HOH S 2283 ? 8.64187 22.35361 19.23975 0.773 38.37411 O ? H ? . O 1
   HETATM 5861 O . HOH S 2287 ? 10.92640 28.38686 18.13019 1.000 49.02230 O ? H ? . O 1
   HETATM 5863 O . HOH S 2289 ? 13.05401 32.27026 48.20265 0.958 41.88562 O ? H ? . O 1
   HETATM 5867 O . HOH S 2293 ? 16.91827 4.90115 47.71499 1.000 54.07495 O ? H ? . O 1
   HETATM 5869 O . HOH S 2295 ? 16.66303 30.27562 47.47963 0.843 38.66734 O ? H ? . O 1
   HETATM 5870 O . HOH S 2296 ? 17.01089 11.07442 63.29582 0.698 37.37781 O ? H ? . O 1
   HETATM 5871 O . HOH S 2297 ? 2.43683 27.17981 42.38050 0.236 10.94804 O ? H ? . O 1
   HETATM 5872 O . HOH S 2298 ? 0.38673 20.49461 35.15643 0.673 34.98074 O ? H ? . O 1
   HETATM 5873 O . HOH S 2299 ? 24.86902 20.87325 54.50350 0.857 38.33685 O ? H ? . O 1
   HETATM 5875 O . HOH S 2301 ? 17.82179 32.87709 46.27156 0.681 31.69875 O ? H ? . O 1
   HETATM 5879 O . HOH S 2305 ? 15.46242 35.53285 25.18924 1.000 45.60798 O ? H ? . O 1
   HETATM 5880 O . HOH S 2306 ? 7.85410 16.31827 36.45606 0.775 35.18727 O ? H ? . O 1
   HETATM 5884 O . HOH S 2310 ? 13.16815 22.80574 21.69477 0.654 33.04020 O ? H ? . O 1
   HETATM 5888 O . HOH S 2314 ? 2.40259 27.72333 26.63702 1.000 50.19972 O ? H ? . O 1
   HETATM 5890 O . HOH S 2316 ? 8.12484 10.05215 59.83705 0.653 36.15092 O ? H ? . O 1
   HETATM 5905 O . HOH S 2331 ? -1.63394 42.99986 36.29009 0.440 29.96226 O ? H ? . O 1
   HETATM 5906 O . HOH S 2332 ? 2.58444 19.13347 34.22028 0.613 32.72434 O ? H ? . O 1
   HETATM 5916 O . HOH S 2342 ? 23.19194 17.06391 41.46117 0.685 32.54902 O ? H ? . O 1
   HETATM 5965 O . HOH S 2344 ? -4.89784 22.94927 36.34355 0.674 30.99015 O ? I ? . O 1
   HETATM 5967 O . HOH S 2346 ? -13.51565 39.79070 34.27791 0.698 34.33050 O ? I ? . O 1
   HETATM 5968 O . HOH S 2347 ? 23.93199 12.60429 53.49175 0.864 39.27809 O ? I ? . O 1
   HETATM 5979 O . HOH S 2358 ? -14.87979 34.62686 36.20087 0.962 46.47539 O ? I ? . O 1
   HETATM 5983 O . HOH S 2362 ? -8.41620 35.77269 29.46254 0.961 42.81952 O ? I ? . O 1
   HETATM 5988 O . HOH S 2367 ? 13.10118 42.23384 23.03223 0.745 39.72232 O ? I ? . O 1
   HETATM 6007 O . HOH S 2386 ? 6.89424 23.74065 18.08723 0.997 48.26705 O ? I ? . O 1
   HETATM 6023 O . HOH S 2402 ? 17.88876 37.37936 36.05888 0.545 34.28905 O ? I ? . O 1
   HETATM 6031 O . HOH S 2403 ? 12.15101 30.95912 52.65401 0.790 28.08232 O ? J ? . O 1
   HETATM 6032 O . HOH S 2404 ? 16.02637 27.24324 25.89415 0.582 26.97536 O ? J ? . O 1
   HETATM 6033 O . HOH S 2405 ? 10.11260 12.78360 62.56731 0.571 33.99215 O ? J ? . O 1
   HETATM 6036 O . HOH S 2408 ? 14.28106 16.23150 29.01472 0.293 25.95671 O ? J ? . O 1
   HETATM 6038 O . HOH S 2410 ? 10.96100 9.77843 65.37457 0.480 30.03860 O ? J ? . O 1
   HETATM 6040 O . HOH S 2412 ? 2.04626 17.78320 39.73356 0.778 34.38330 O ? J ? . O 1
   HETATM 6043 O . HOH S 2415 ? 0.50889 28.36964 25.47331 0.539 30.21013 O ? J ? . O 1
   HETATM 6044 O . HOH S 2416 ? 10.89728 7.30103 53.69840 0.580 30.82178 O ? J ? . O 1
   HETATM 6046 O . HOH S 2418 ? -8.52338 42.87082 36.03748 0.575 34.38925 O ? J ? . O 1
   HETATM 6049 O . HOH S 2421 ? 2.14114 22.78842 33.87796 0.391 28.45577 O ? J ? . O 1
   HETATM 6054 O . HOH S 2426 ? 17.78572 11.01714 58.52663 0.657 34.43448 O ? J ? . O 1
   HETATM 6056 O . HOH S 2428 ? 11.02842 33.48522 15.32991 0.785 45.49843 O ? J ? . O 1
   HETATM 6058 O . HOH S 2430 ? 1.81807 12.63752 50.58475 0.644 41.73570 O ? J ? . O 1
   HETATM 6063 O . HOH S 2435 ? 15.87274 24.89361 33.02592 0.271 17.85863 O ? J ? . O 1
   HETATM 6070 O . HOH S 2442 ? 20.68208 11.71271 57.06433 0.468 30.11647 O ? J ? . O 1
   HETATM 6079 O . HOH S 2451 ? 3.74777 23.85255 29.75269 0.334 26.61878 O ? J ? . O 1
   HETATM 6080 O . HOH S 2452 ? 3.62544 25.00873 27.41176 0.616 36.60984 O ? J ? . O 1
   HETATM 6106 O . HOH S 2462 ? 26.31968 22.36578 53.01733 0.682 39.12219 O ? K ? . O 1
   HETATM 6108 O . HOH S 2464 ? 2.67225 16.29234 41.95159 0.683 37.60105 O ? K ? . O 1
   HETATM 6109 O . HOH S 2465 ? 3.71736 39.23610 44.10185 0.570 33.63971 O ? K ? . O 1
   HETATM 6112 O . HOH S 2468 ? 14.78599 8.02696 55.49529 0.382 27.93093 O ? K ? . O 1
   HETATM 6138 O . HOH S 2494 ? -13.80011 36.56861 30.19901 0.468 29.83082 O ? K ? . O 1
   HETATM 6152 O . HOH S 2508 ? 12.39540 43.97230 24.23497 0.448 34.96506 O ? K ? . O 1
   HETATM 6186 O . HOH S 2540 ? 4.58441 9.76593 52.04315 0.522 32.80399 O ? L ? . O 1
   HETATM 6218 O . HOH S 2572 ? -14.89107 38.00528 35.24972 0.483 31.20852 O ? L ? . O 1
   HETATM 6220 O . HOH S 2574 ? 15.78101 36.69977 45.73497 0.579 38.54352 O ? L ? . 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_CMO
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
   CMO C C CS 0.000
   CMO O O O 0.000

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   CMO C n/a O START
   CMO O C . END

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
   CMO O C coval 1.230 0.020

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
   CMO . 'CARBON MONOXIDE                     ' non-polymer 2 2 .

data_comp_ASC
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
   ASC C1 C CR5 0 0.482 1.2067 0.1205 -1.4104
   ASC C2 C CR5 0 0.055 -0.1500 -0.0840 -1.8873
   ASC C3 C CR5 0 0.318 -0.9853 0.3164 -0.9220
   ASC C4 C CR15 0 -0.084 -0.1913 0.7846 0.2527
   ASC C5 C CH1 0 -0.012 -0.4313 -0.0441 1.5182
   ASC C6 C CH2 0 -0.171 0.3695 0.5098 2.6865
   ASC O1 O O 0 -0.448 2.2437 -0.1097 -1.9790
   ASC O2 O OH1 0 -0.624 -0.4610 -0.5991 -3.0899
   ASC O3 O OH1 0 -0.591 -2.3076 0.3359 -0.8410
   ASC O4 O O 0 -0.459 1.1636 0.6494 -0.1738
   ASC O5 O OH1 0 -0.654 -0.2084 -1.4073 1.2882
   ASC O6 O OH1 0 -0.666 -0.0113 -0.1813 3.8492
   ASC H4 H HCR5 0 0.297 -0.3871 1.8422 0.4597
   ASC H5 H HCH1 0 0.260 -1.4945 0.0629 1.7595
   ASC H61 H HCH2 0 0.208 0.1663 1.5864 2.7648
   ASC H62 H HCH2 0 0.210 1.4444 0.4029 2.4875
   ASC HO2 H HOH1 0 0.477 0.3376 -0.6901 -3.6237
   ASC HO3 H HOH1 0 0.491 -2.7144 -0.0156 -1.6432
   ASC HO5 H HOH1 0 0.452 0.7389 -1.5814 1.2893
   ASC HO6 H HOH1 0 0.459 0.5669 0.0971 4.5649

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
   ASC C1 C2 single 1.453 0.020 1.453
   ASC C1 O1 double 1.205 0.020 1.205
   ASC C1 O4 single 1.346 0.020 1.346
   ASC C2 C3 double 1.338 0.020 1.338
   ASC C2 O2 single 1.345 0.020 1.345
   ASC C3 C4 single 1.493 0.020 1.493
   ASC C3 O3 single 1.325 0.020 1.325
   ASC C4 C5 single 1.532 0.020 1.532
   ASC C4 O4 single 1.427 0.020 1.427
   ASC C4 H4 single 0.970 0.020 1.090
   ASC C5 C6 single 1.521 0.020 1.521
   ASC C5 O5 single 1.400 0.020 1.400
   ASC C5 H5 single 0.970 0.020 1.090
   ASC C6 O6 single 1.405 0.020 1.405
   ASC C6 H61 single 0.970 0.020 1.090
   ASC C6 H62 single 0.970 0.020 1.090
   ASC O2 HO2 single 0.850 0.020 0.980
   ASC O3 HO3 single 0.850 0.020 0.980
   ASC O5 HO5 single 0.850 0.020 0.980
   ASC O6 HO6 single 0.850 0.020 0.980

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   ASC O4 C1 O1 122.44 3.000
   ASC O4 C1 C2 109.09 3.000
   ASC O1 C1 C2 128.47 3.000
   ASC O2 C2 C3 127.98 3.000
   ASC O2 C2 C1 124.30 3.000
   ASC C3 C2 C1 107.71 3.000
   ASC O3 C3 C4 118.55 3.000
   ASC O3 C3 C2 132.20 3.000
   ASC C4 C3 C2 109.24 3.000
   ASC H4 C4 O4 108.53 3.000
   ASC H4 C4 C5 109.77 3.000
   ASC O4 C4 C5 110.15 3.000
   ASC H4 C4 C3 110.88 3.000
   ASC O4 C4 C3 103.89 3.000
   ASC C5 C4 C3 113.39 3.000
   ASC H5 C5 O5 106.60 3.000
   ASC H5 C5 C6 107.83 3.000
   ASC O5 C5 C6 113.39 3.000
   ASC H5 C5 C4 106.34 3.000
   ASC O5 C5 C4 111.47 3.000
   ASC C6 C5 C4 110.80 3.000
   ASC H62 C6 H61 106.82 3.000
   ASC H62 C6 O6 111.55 3.000
   ASC H61 C6 O6 111.90 3.000
   ASC H62 C6 C5 109.91 3.000
   ASC H61 C6 C5 108.32 3.000
   ASC O6 C6 C5 108.29 3.000
   ASC HO2 O2 C2 109.84 3.000
   ASC HO3 O3 C3 111.36 3.000
   ASC C4 O4 C1 110.02 3.000
   ASC HO5 O5 C5 109.41 3.000
   ASC HO6 O6 C6 108.09 3.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   ASC Var_01 C4 C3 C2 C1 -0.97 30.0 1
   ASC Var_02 O4 C1 C2 C3 -0.50 30.0 1
   ASC Var_03 C3 C4 O4 C1 -2.31 30.0 1
   ASC Var_04 C4 O4 C1 C2 1.84 30.0 1
   ASC Var_05 O4 C4 C3 C2 2.00 30.0 1
   ASC Var_06 C5 C4 O4 C1 119.45 30.0 1
   ASC Var_07 C5 C4 C3 C2 -117.58 30.0 1
   ASC Var_08 O1 C1 O4 C4 -178.82 30.0 1
   ASC Var_09 O4 C4 C3 O3 -179.25 30.0 1
   ASC Var_10 H4 C4 O4 C1 -120.35 30.0 1
   ASC Var_11 C6 C5 C4 C3 -178.15 30.0 3
   ASC Var_12 O5 C5 C4 C3 54.57 30.0 3
   ASC Var_13 O3 C3 C4 C5 61.17 30.0 1
   ASC Var_14 O4 C4 C5 C6 65.91 30.0 1
   ASC Var_15 O5 C5 C4 O4 -61.37 30.0 3
   ASC Var_16 HO2 O2 C2 C1 -8.00 30.0 3
   ASC Var_17 HO3 O3 C3 C2 0.37 30.0 3
   ASC Var_18 H5 C5 C4 C3 -61.24 30.0 3
   ASC Var_19 O6 C6 C5 C4 172.91 30.0 3
   ASC Var_20 H61 C6 C5 C4 51.37 30.0 3
   ASC Var_21 H62 C6 C5 C4 -65.00 30.0 3
   ASC Var_22 HO5 O5 C5 C4 78.36 30.0 3
   ASC Var_23 O6 C6 C5 O5 -60.87 30.0 3
   ASC Var_24 HO6 O6 C6 C5 173.46 30.0 3

loop_
  _chem_comp_chir.comp_id
  _chem_comp_chir.id
  _chem_comp_chir.atom_id_centre
  _chem_comp_chir.atom_id_1
  _chem_comp_chir.atom_id_2
  _chem_comp_chir.atom_id_3
  _chem_comp_chir.volume_sign
   ASC chir_01 C4 C3 C5 O4 negativ
   ASC chir_02 C5 O5 C4 C6 positiv

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   ASC plan-1 C1 0.020
   ASC plan-1 C2 0.020
   ASC plan-1 O1 0.020
   ASC plan-1 O4 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   ASC plan-1

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
   ASC ASC '(5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)' L-saccharide 20 12 .

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 .

