data_4tw6_qFit
_cell.length_a                    44.995
_cell.length_b                    48.552
_cell.length_c                    56.666
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      123792.380
_space_group.crystal_system       orthorhombic
_space_group.IT_number            19
_space_group.name_H-M_alt         'P 21 21 21'
_space_group.name_Hall            ' P 2ac 2ab'
_symmetry.space_group_name_H-M    'P 21 21 21'
_symmetry.space_group_name_Hall   ' P 2ac 2ab'
_symmetry.Int_Tables_number       19
_reflns.B_iso_Wilson_estimate     11.08
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              19.99
_refine.ls_d_res_high             1.40
_refine.pdbx_ls_sigma_F           1.39
_refine.ls_percent_reflns_obs     99.97
_refine.ls_number_reflns_obs      25083
_refine.ls_number_reflns_R_work   23094
_refine.ls_number_reflns_R_free   1989
_refine.ls_R_factor_obs           0.1509
_refine.ls_R_factor_R_work        0.1494
_refine.ls_R_factor_R_free        0.1697
_refine.ls_percent_reflns_R_free  7.93
_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             0.1139
_refine.pdbx_overall_phase_error  14.5759
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                16.67
_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+1/2,-y+1/2,-z
   3 -x,y+1/2,-z+1/2
   4 -x+1/2,-y,z+1/2

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 1106 0.0161 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1494 1.2276 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 156 0.0893 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 190 0.0095 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 447 23.5396 ? ?

loop_
  _refine_ls_shell.pdbx_refine_id
  _refine_ls_shell.d_res_high
  _refine_ls_shell.d_res_low
  _refine_ls_shell.number_reflns_R_work
  _refine_ls_shell.R_factor_R_work
  _refine_ls_shell.percent_reflns_obs
  _refine_ls_shell.R_factor_R_free
  _refine_ls_shell.number_reflns_R_free
   'X-RAY DIFFRACTION' 3.37 19.99 1777 0.1567 99.84 0.1703 153
   'X-RAY DIFFRACTION' 2.68 3.37 1683 0.1471 100.00 0.1735 140
   'X-RAY DIFFRACTION' 2.34 2.68 1666 0.1372 100.00 0.1556 150
   'X-RAY DIFFRACTION' 2.13 2.34 1652 0.1280 100.00 0.1447 138
   'X-RAY DIFFRACTION' 1.97 2.13 1659 0.1331 100.00 0.1331 143
   'X-RAY DIFFRACTION' 1.86 1.97 1646 0.1361 100.00 0.1658 138
   'X-RAY DIFFRACTION' 1.76 1.86 1632 0.1401 100.00 0.1587 151
   'X-RAY DIFFRACTION' 1.69 1.76 1629 0.1505 100.00 0.1879 138
   'X-RAY DIFFRACTION' 1.62 1.69 1616 0.1509 100.00 0.1901 137
   'X-RAY DIFFRACTION' 1.57 1.62 1644 0.1513 100.00 0.1828 148
   'X-RAY DIFFRACTION' 1.52 1.57 1625 0.1627 100.00 0.1819 135
   'X-RAY DIFFRACTION' 1.47 1.52 1615 0.1788 100.00 0.2174 144
   'X-RAY DIFFRACTION' 1.44 1.47 1621 0.1974 100.00 0.2005 135
   'X-RAY DIFFRACTION' 1.40 1.44 1629 0.2193 99.72 0.2633 139

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

loop_
  _atom_type.symbol
  _atom_type.scat_dispersion_real
  _atom_type.scat_dispersion_imag
  _atom_type.scat_Cromer_Mann_a1
  _atom_type.scat_Cromer_Mann_a2
  _atom_type.scat_Cromer_Mann_a3
  _atom_type.scat_Cromer_Mann_a4
  _atom_type.scat_Cromer_Mann_b1
  _atom_type.scat_Cromer_Mann_b2
  _atom_type.scat_Cromer_Mann_b3
  _atom_type.scat_Cromer_Mann_b4
  _atom_type.scat_Cromer_Mann_c
  _atom_type.scat_source
  _atom_type.scat_dispersion_source
   C . . 3.54356 2.42580 . . 25.62398 1.50364 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   H . . 0.51345 0.48472 . . 24.73122 6.32584 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Na1+ . . 5.56094 4.42395 . . 7.30808 1.06976 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   37L
   ALA
   ARG
   ASN
   ASP
   CYS
   GLN
   GLU
   GLY
   GOL
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   NA
   PHE
   PRO
   SER
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . GLY A 13 ? -7.10927 13.19901 -29.19758 1.000 19.33919 N ? A ? 1 N 1
   ATOM 2 CA . GLY A 13 ? -6.44806 13.38357 -27.91206 1.000 15.56227 C ? A ? 1 CA 1
   ATOM 3 C . GLY A 13 ? -5.90171 12.07467 -27.38123 1.000 15.86301 C ? A ? 1 C 1
   ATOM 4 O . GLY A 13 ? -5.74810 11.10251 -28.11599 1.000 14.67357 O ? A ? 1 O 1
   ATOM 5 HA2 . GLY A 13 ? -5.71346 14.00920 -28.01127 1.000 18.69261 H ? A ? 1 HA2 1
   ATOM 6 HA3 . GLY A 13 ? -7.08119 13.73931 -27.26903 1.000 18.69261 H ? A ? 1 HA3 1
   ATOM 7 N . ALA A 14 ? -5.64246 12.04674 -26.07347 1.000 12.88077 N ? A ? 2 N 1
   ATOM 8 CA . ALA A 14 ? -5.00144 10.88017 -25.46724 1.000 12.74094 C ? A ? 2 CA 1
   ATOM 9 C . ALA A 14 ? -5.82548 9.61696 -25.61739 1.000 11.56250 C ? A ? 2 C 1
   ATOM 10 O . ALA A 14 ? -5.24872 8.57993 -25.98305 1.000 11.74095 O ? A ? 2 O 1
   ATOM 11 CB . ALA A 14 ? -4.67126 11.20154 -24.00489 1.000 14.95450 C ? A ? 2 CB 1
   ATOM 12 H . ALA A 14 ? -5.82479 12.68098 -25.52202 1.000 15.47482 H ? A ? 2 H 1
   ATOM 13 HA . ALA A 14 ? -4.16466 10.71304 -25.92850 1.000 15.30702 H ? A ? 2 HA 1
   ATOM 14 HB1 . ALA A 14 ? -4.28385 10.41574 -23.58857 1.000 17.96328 H ? A ? 2 HB1 1
   ATOM 15 HB2 . ALA A 14 ? -4.03832 11.93609 -23.97812 1.000 17.96328 H ? A ? 2 HB2 1
   ATOM 16 HB3 . ALA A 14 ? -5.48760 11.45138 -23.54437 1.000 17.96328 H ? A ? 2 HB3 1
   ATOM 17 N . PRO A 15 ? -7.13153 9.60570 -25.36045 1.000 11.28874 N ? A ? 3 N 1
   ATOM 18 CA . PRO A 15 ? -7.91708 8.37401 -25.58311 1.000 12.61712 C ? A ? 3 CA 1
   ATOM 19 C . PRO A 15 ? -7.83884 7.87792 -27.01333 1.000 12.67024 C ? A ? 3 C 1
   ATOM 20 O . PRO A 15 ? -7.69364 6.66724 -27.24734 1.000 11.21744 O ? A ? 3 O 1
   ATOM 21 CB . PRO A 15 ? -9.34265 8.78157 -25.17064 1.000 16.83983 C ? A ? 3 CB 1
   ATOM 22 CG . PRO A 15 ? -9.11996 9.97605 -24.20094 1.000 14.62036 C ? A ? 3 CG 1
   ATOM 23 CD . PRO A 15 ? -7.94714 10.69298 -24.76735 1.000 15.98212 C ? A ? 3 CD 1
   ATOM 24 HA . PRO A 15 ? -7.61598 7.67104 -24.98639 1.000 15.15844 H ? A ? 3 HA 1
   ATOM 25 HB2 . PRO A 15 ? -9.85270 9.05190 -25.95018 1.000 20.22569 H ? A ? 3 HB2 1
   ATOM 26 HB3 . PRO A 15 ? -9.78604 8.04370 -24.72359 1.000 20.22569 H ? A ? 3 HB3 1
   ATOM 27 HG2 . PRO A 15 ? -9.90483 10.54587 -24.18761 1.000 17.56232 H ? A ? 3 HG2 1
   ATOM 28 HG3 . PRO A 15 ? -8.93174 9.64964 -23.30711 1.000 17.56232 H ? A ? 3 HG3 1
   ATOM 29 HD2 . PRO A 15 ? -8.22563 11.32542 -25.44806 1.000 19.19643 H ? A ? 3 HD2 1
   ATOM 30 HD3 . PRO A 15 ? -7.45407 11.15226 -24.06961 1.000 19.19643 H ? A ? 3 HD3 1
   ATOM 31 N . ALA A 16 ? -7.90571 8.78648 -27.98625 1.000 13.51237 N ? A ? 4 N 1
   ATOM 32 CA . ALA A 16 ? -7.82264 8.36978 -29.38033 1.000 13.48599 C ? A ? 4 CA 1
   ATOM 33 C . ALA A 16 ? -6.48211 7.73298 -29.68791 1.000 15.14683 C ? A ? 4 C 1
   ATOM 34 O . ALA A 16 ? -6.41191 6.73953 -30.42136 1.000 13.48899 O ? A ? 4 O 1
   ATOM 35 CB . ALA A 16 ? -8.07074 9.57372 -30.29600 1.000 14.81692 C ? A ? 4 CB 1
   ATOM 36 H . ALA A 16 ? -7.99725 9.63321 -27.86684 1.000 16.23274 H ? A ? 4 H 1
   ATOM 37 HA . ALA A 16 ? -8.51127 7.70874 -29.55273 1.000 16.20108 H ? A ? 4 HA 1
   ATOM 38 HB1 . ALA A 16 ? -7.99613 9.28834 -31.22007 1.000 17.79820 H ? A ? 4 HB1 1
   ATOM 39 HB2 . ALA A 16 ? -8.96093 9.92034 -30.12771 1.000 17.79820 H ? A ? 4 HB2 1
   ATOM 40 HB3 . ALA A 16 ? -7.40852 10.25661 -30.10620 1.000 17.79820 H ? A ? 4 HB3 1
   ATOM 41 N . THR A 17 ? -5.39936 8.27043 -29.12582 1.000 11.50588 N ? A ? 5 N 1
   ATOM 42 CA . THR A 17 ? -4.09617 7.68141 -29.36742 1.000 12.11010 C ? A ? 5 CA 1
   ATOM 43 C . THR A 17 ? -4.03473 6.27019 -28.80202 1.000 10.73606 C ? A ? 5 C 1
   ATOM 44 O . THR A 17 ? -3.46684 5.37357 -29.42453 1.000 11.41076 O ? A ? 5 O 1
   ATOM 45 CB . THR A 17 ? -2.97797 8.55394 -28.79824 1.000 12.88280 C ? A ? 5 CB 1
   ATOM 46 OG1 . THR A 17 ? -3.04745 9.83949 -29.44960 1.000 18.68484 O ? A ? 5 OG1 1
   ATOM 47 CG2 . THR A 17 ? -1.63888 7.94447 -29.07016 1.000 19.34830 C ? A ? 5 CG2 1
   ATOM 48 H . THR A 17 ? -5.39747 8.96064 -28.61278 1.000 13.82494 H ? A ? 5 H 1
   ATOM 49 HA . THR A 17 ? -3.94906 7.63636 -30.32514 1.000 14.55001 H ? A ? 5 HA 1
   ATOM 50 HB . THR A 17 ? -3.07605 8.64437 -27.83746 1.000 15.47725 H ? A ? 5 HB 1
   ATOM 51 HG1 . THR A 17 ? -3.79521 10.19424 -29.30606 1.000 22.43970 H ? A ? 5 HG1 1
   ATOM 52 HG21 . THR A 17 ? -0.94136 8.60686 -28.94527 1.000 23.23585 H ? A ? 5 HG21 1
   ATOM 53 HG22 . THR A 17 ? -1.48206 7.20397 -28.46356 1.000 23.23585 H ? A ? 5 HG22 1
   ATOM 54 HG23 . THR A 17 ? -1.60246 7.61714 -29.98254 1.000 23.23585 H ? A ? 5 HG23 1
   ATOM 55 N . VAL A 18 ? -4.62534 6.04284 -27.62516 1.000 10.38843 N ? A ? 6 N 1
   ATOM 56 CA . VAL A 18 ? -4.67148 4.68545 -27.08764 1.000 10.57013 C ? A ? 6 CA 1
   ATOM 57 C . VAL A 18 ? -5.49415 3.75994 -27.97806 1.000 8.67249 C ? A ? 6 C 1
   ATOM 58 O . VAL A 18 ? -5.10591 2.61816 -28.20988 1.000 9.32712 O ? A ? 6 O 1
   ATOM 59 CB . VAL A 18 ? -5.20156 4.68585 -25.65318 1.000 10.81035 C ? A ? 6 CB 1
   ATOM 60 CG1 . VAL A 18 ? -5.33087 3.26497 -25.14336 1.000 10.29474 C ? A ? 6 CG1 1
   ATOM 61 CG2 . VAL A 18 ? -4.29983 5.48360 -24.74996 1.000 10.65485 C ? A ? 6 CG2 1
   ATOM 62 H . VAL A 18 ? -4.99641 6.64231 -27.13267 1.000 12.48400 H ? A ? 6 H 1
   ATOM 63 HA . VAL A 18 ? -3.76123 4.35048 -27.07552 1.000 12.70204 H ? A ? 6 HA 1
   ATOM 64 HB . VAL A 18 ? -6.07841 5.10054 -25.64525 1.000 12.99031 H ? A ? 6 HB 1
   ATOM 65 HG11 . VAL A 18 ? -5.49985 3.28625 -24.18843 1.000 12.37158 H ? A ? 6 HG11 1
   ATOM 66 HG12 . VAL A 18 ? -6.06857 2.83143 -25.60024 1.000 12.37158 H ? A ? 6 HG12 1
   ATOM 67 HG13 . VAL A 18 ? -4.50504 2.78876 -25.32260 1.000 12.37158 H ? A ? 6 HG13 1
   ATOM 68 HG21 . VAL A 18 ? -4.63048 5.42297 -23.84007 1.000 12.80371 H ? A ? 6 HG21 1
   ATOM 69 HG22 . VAL A 18 ? -3.40154 5.12107 -24.80032 1.000 12.80371 H ? A ? 6 HG22 1
   ATOM 70 HG23 . VAL A 18 ? -4.29989 6.40893 -25.04095 1.000 12.80371 H ? A ? 6 HG23 1
   ATOM 71 N . THR A 19 ? -6.64411 4.21429 -28.47335 1.000 9.43640 N ? A ? 7 N 1
   ATOM 72 CA . THR A 19 ? -7.41154 3.39475 -29.40856 1.000 8.91658 C ? A ? 7 CA 1
   ATOM 73 C . THR A 19 ? -6.57456 2.96025 -30.59777 1.000 13.27347 C ? A ? 7 C 1
   ATOM 74 O . THR A 19 ? -6.61076 1.79045 -31.01138 1.000 11.58737 O ? A ? 7 O 1
   ATOM 75 CB . THR A 19 ? -8.63213 4.19442 -29.88907 1.000 11.53639 C ? A ? 7 CB 1
   ATOM 76 OG1 . THR A 19 ? -9.55789 4.32053 -28.81052 1.000 12.73678 O ? A ? 7 OG1 1
   ATOM 77 CG2 . THR A 19 ? -9.26297 3.50280 -31.06639 1.000 14.68840 C ? A ? 7 CG2 1
   ATOM 78 H . THR A 19 ? -6.99503 4.97730 -28.28823 1.000 11.34157 H ? A ? 7 H 1
   ATOM 79 HA . THR A 19 ? -7.70991 2.59397 -28.94962 1.000 10.71778 H ? A ? 7 HA 1
   ATOM 80 HB . THR A 19 ? -8.37353 5.08372 -30.17746 1.000 13.86156 H ? A ? 7 HB 1
   ATOM 81 HG1 . THR A 19 ? -9.59634 3.60072 -28.37926 1.000 15.30203 H ? A ? 7 HG1 1
   ATOM 82 HG21 . THR A 19 ? -10.18507 3.78776 -31.16355 1.000 17.64397 H ? A ? 7 HG21 1
   ATOM 83 HG22 . THR A 19 ? -8.77879 3.72127 -31.87802 1.000 17.64397 H ? A ? 7 HG22 1
   ATOM 84 HG23 . THR A 19 ? -9.24249 2.54174 -30.93664 1.000 17.64397 H ? A ? 7 HG23 1
   ATOM 85 N . GLU A 20 ? -5.81488 3.89389 -31.17349 1.000 11.57125 N ? A ? 8 N 1
   ATOM 86 CA . GLU A 20 ? -5.11278 3.62190 -32.42555 1.000 12.64412 C ? A ? 8 CA 1
   ATOM 87 C . GLU A 20 ? -3.79682 2.89639 -32.23989 1.000 15.78817 C ? A ? 8 C 1
   ATOM 88 O . GLU A 20 ? -3.41998 2.08986 -33.09969 1.000 18.69295 O ? A ? 8 O 1
   ATOM 89 CB . GLU A 20 ? -4.80324 4.93581 -33.13103 1.000 13.87586 C ? A ? 8 CB 1
   ATOM 90 CG . GLU A 20 ? -6.05338 5.66959 -33.51318 1.000 14.42484 C ? A ? 8 CG 1
   ATOM 91 CD . GLU A 20 ? -5.79369 7.00617 -34.18541 1.000 34.66485 C ? A ? 8 CD 1
   ATOM 92 OE1 . GLU A 20 ? -4.75348 7.13050 -34.86446 1.000 32.78485 O ? A ? 8 OE1 1
   ATOM 93 OE2 . GLU A 20 ? -6.63890 7.92414 -34.03394 1.000 21.09424 O ? A ? 8 OE2 1
   ATOM 94 H . GLU A 20 ? -5.69103 4.68571 -30.86158 1.000 13.90339 H ? A ? 8 H 1
   ATOM 95 HA . GLU A 20 ? -5.69887 3.06744 -32.96404 1.000 15.19083 H ? A ? 8 HA 1
   ATOM 96 HB2 . GLU A 20 ? -4.28649 5.50302 -32.53761 1.000 16.66892 H ? A ? 8 HB2 1
   ATOM 97 HB3 . GLU A 20 ? -4.29815 4.75342 -33.93881 1.000 16.66892 H ? A ? 8 HB3 1
   ATOM 98 HG2 . GLU A 20 ? -6.56140 5.12103 -34.13115 1.000 17.32770 H ? A ? 8 HG2 1
   ATOM 99 HG3 . GLU A 20 ? -6.57474 5.83711 -32.71254 1.000 17.32770 H ? A ? 8 HG3 1
   ATOM 100 N . GLN A 21 ? -3.07990 3.17285 -31.15868 1.000 13.04932 N ? A ? 9 N 1
   ATOM 101 CA . GLN A 21 ? -1.72780 2.69712 -30.96545 1.000 14.26249 C ? A ? 9 CA 1
   ATOM 102 C . GLN A 21 ? -1.57056 1.85736 -29.70274 1.000 9.51552 C ? A ? 9 C 1
   ATOM 103 O . GLN A 21 ? -0.49664 1.28499 -29.49163 1.000 14.15875 O ? A ? 9 O 1
   ATOM 104 CB . GLN A 21 ? -0.74559 3.88138 -30.86938 1.000 16.13731 C ? A ? 9 CB 1
   ATOM 105 CG . GLN A 21 ? -0.77641 4.83437 -32.05225 1.000 24.07494 C ? A ? 9 CG 1
   ATOM 106 CD . GLN A 21 ? 0.11577 6.05204 -31.85694 1.000 31.50555 C ? A ? 9 CD 1
   ATOM 107 OE1 . GLN A 21 ? 1.11126 6.00428 -31.12942 1.000 39.46125 O ? A ? 9 OE1 1
   ATOM 108 NE2 . GLN A 21 ? -0.23719 7.14968 -32.51051 1.000 30.61887 N ? A ? 9 NE2 1
   ATOM 109 H . GLN A 21 ? -3.36829 3.65020 -30.50403 1.000 15.67707 H ? A ? 9 H 1
   ATOM 110 HA . GLN A 21 ? -1.47741 2.16085 -31.73397 1.000 17.13287 H ? A ? 9 HA 1
   ATOM 111 HB2 . GLN A 21 ? -0.96040 4.39542 -30.07534 1.000 19.38266 H ? A ? 9 HB2 1
   ATOM 112 HB3 . GLN A 21 ? 0.15560 3.52881 -30.80261 1.000 19.38266 H ? A ? 9 HB3 1
   ATOM 113 HG2 . GLN A 21 ? -0.47164 4.36417 -32.84403 1.000 28.90782 H ? A ? 9 HG2 1
   ATOM 114 HG3 . GLN A 21 ? -1.68542 5.14725 -32.18151 1.000 28.90782 H ? A ? 9 HG3 1
   ATOM 115 HE21 . GLN A 21 ? -0.93675 7.14608 -33.01073 1.000 36.76053 H ? A ? 9 HE21 1
   ATOM 116 HE22 . GLN A 21 ? 0.23332 7.86551 -32.43440 1.000 36.76053 H ? A ? 9 HE22 1
   ATOM 117 N . GLY A 22 ? -2.58968 1.78310 -28.85935 1.000 11.19737 N ? A ? 10 N 1
   ATOM 118 CA . GLY A 22 ? -2.45062 1.08688 -27.59665 1.000 11.20457 C ? A ? 10 CA 1
   ATOM 119 C . GLY A 22 ? -2.31999 -0.40759 -27.78297 1.000 10.01052 C ? A ? 10 C 1
   ATOM 120 O . GLY A 22 ? -2.81027 -0.99767 -28.75597 1.000 12.24666 O ? A ? 10 O 1
   ATOM 121 H . GLY A 22 ? -3.36672 2.12572 -28.99505 1.000 13.45473 H ? A ? 10 H 1
   ATOM 122 HA2 . GLY A 22 ? -1.65989 1.40900 -27.13634 1.000 13.46337 H ? A ? 10 HA2 1
   ATOM 123 HA3 . GLY A 22 ? -3.22964 1.26045 -27.04538 1.000 13.46337 H ? A ? 10 HA3 1
   ATOM 124 N . GLU A 23 ? -1.60805 -1.02016 -26.84167 1.000 7.77978 N ? A ? 11 N 1
   ATOM 125 CA . GLU A 23 ? -1.44221 -2.46272 -26.77748 1.000 10.97188 C ? A ? 11 CA 1
   ATOM 126 C . GLU A 23 ? -2.56792 -3.09498 -25.97325 1.000 8.52573 C ? A ? 11 C 1
   ATOM 127 O . GLU A 23 ? -2.94865 -2.61160 -24.89546 1.000 8.35736 O ? A ? 11 O 1
   ATOM 128 CB . GLU A 23 ? -0.12034 -2.78034 -26.09196 1.000 11.46830 C ? A ? 11 CB 1
   ATOM 129 CG . GLU A 23 ? 1.11054 -2.38895 -26.89348 1.000 23.19797 C ? A ? 11 CG 1
   ATOM 130 CD . GLU A 23 ? 2.40845 -2.81723 -26.23417 1.000 51.78788 C ? A ? 11 CD 1
   ATOM 131 OE1 . GLU A 23 ? 2.38064 -3.25515 -25.05821 1.000 34.56645 O ? A ? 11 OE1 1
   ATOM 132 OE2 . GLU A 23 ? 3.45936 -2.72033 -26.90389 1.000 61.05032 O ? A ? 11 OE2 1
   ATOM 133 H . GLU A 23 ? -1.19872 -0.60572 -26.20899 1.000 9.35362 H ? A ? 11 H 1
   ATOM 134 HA . GLU A 23 ? -1.45623 -2.83421 -27.67342 1.000 13.18414 H ? A ? 11 HA 1
   ATOM 135 HB2 . GLU A 23 ? -0.08610 -2.30205 -25.24877 1.000 13.77985 H ? A ? 11 HB2 1
   ATOM 136 HB3 . GLU A 23 ? -0.07575 -3.73622 -25.93321 1.000 13.77985 H ? A ? 11 HB3 1
   ATOM 137 HG2 . GLU A 23 ? 1.06541 -2.81010 -27.76612 1.000 27.85545 H ? A ? 11 HG2 1
   ATOM 138 HG3 . GLU A 23 ? 1.12920 -1.42407 -26.99134 1.000 27.85545 H ? A ? 11 HG3 1
   ATOM 139 N . ASP A 24 ? -3.09443 -4.20192 -26.48817 1.000 9.91961 N ? A ? 12 N 1
   ATOM 140 CA . ASP A 24 ? -4.17030 -4.93885 -25.83701 1.000 8.42139 C ? A ? 12 CA 1
   ATOM 141 C . ASP A 24 ? -3.54397 -5.87801 -24.82060 1.000 10.72862 C ? A ? 12 C 1
   ATOM 142 O . ASP A 24 ? -2.84118 -6.81862 -25.18770 1.000 12.33397 O ? A ? 12 O 1
   ATOM 143 CB . ASP A 24 ? -4.94054 -5.73611 -26.88596 1.000 9.22085 C ? A ? 12 CB 1
   ATOM 144 CG . ASP A 24 ? -6.11188 -6.50329 -26.32484 1.000 10.22550 C ? A ? 12 CG 1
   ATOM 145 OD1 . ASP A 24 ? -6.26776 -6.55576 -25.09661 1.000 9.48327 O ? A ? 12 OD1 1
   ATOM 146 OD2 . ASP A 24 ? -6.92728 -7.03587 -27.12148 1.000 9.43987 O ? A ? 12 OD2 1
   ATOM 147 H . ASP A 24 ? -2.83952 -4.55367 -27.23039 1.000 11.92142 H ? A ? 12 H 1
   ATOM 148 HA . ASP A 24 ? -4.77599 -4.33030 -25.38567 1.000 10.12356 H ? A ? 12 HA 1
   ATOM 149 HB2 . ASP A 24 ? -5.28179 -5.12319 -27.55587 1.000 11.08291 H ? A ? 12 HB2 1
   ATOM 150 HB3 . ASP A 24 ? -4.33790 -6.37524 -27.29734 1.000 11.08291 H ? A ? 12 HB3 1
   ATOM 151 N . ILE A 25 ? -3.80234 -5.62476 -23.53894 1.000 8.83494 N ? A ? 13 N 1
   ATOM 152 CA . ILE A 25 ? -3.19587 -6.39749 -22.46487 1.000 7.47120 C ? A ? 13 CA 1
   ATOM 153 C . ILE A 25 ? -4.19688 -7.34505 -21.80364 1.000 9.84034 C ? A ? 13 C 1
   ATOM 154 O . ILE A 25 ? -3.92729 -7.90044 -20.73275 1.000 11.03972 O ? A ? 13 O 1
   ATOM 155 CB . ILE A 25 ? -2.46989 -5.48211 -21.45996 1.000 9.56390 C ? A ? 13 CB 1
   ATOM 156 CG1 . ILE A 25 ? -3.39928 -4.42752 -20.86781 1.000 8.49763 C ? A ? 13 CG1 1
   ATOM 157 CG2 . ILE A 25 ? -1.22993 -4.87552 -22.10857 1.000 14.16787 C ? A ? 13 CG2 1
   ATOM 158 CD1 . ILE A 25 ? -2.75126 -3.68612 -19.69465 1.000 10.22593 C ? A ? 13 CD1 1
   ATOM 159 H . ILE A 25 ? -4.33127 -5.00361 -23.26689 1.000 10.61981 H ? A ? 13 H 1
   ATOM 160 HA . ILE A 25 ? -2.51956 -6.97362 -22.85421 1.000 8.98332 H ? A ? 13 HA 1
   ATOM 161 HB . ILE A 25 ? -2.18053 -6.02424 -20.70945 1.000 11.49457 H ? A ? 13 HB 1
   ATOM 162 HG12 . ILE A 25 ? -3.62093 -3.77731 -21.55265 1.000 10.21505 H ? A ? 13 HG12 1
   ATOM 163 HG13 . ILE A 25 ? -4.20642 -4.85857 -20.54592 1.000 10.21505 H ? A ? 13 HG13 1
   ATOM 164 HG21 . ILE A 25 ? -0.70519 -4.42611 -21.42771 1.000 17.01934 H ? A ? 13 HG21 1
   ATOM 165 HG22 . ILE A 25 ? -0.70716 -5.58446 -22.51478 1.000 17.01934 H ? A ? 13 HG22 1
   ATOM 166 HG23 . ILE A 25 ? -1.50722 -4.23918 -22.78613 1.000 17.01934 H ? A ? 13 HG23 1
   ATOM 167 HD11 . ILE A 25 ? -3.41397 -3.11292 -19.27853 1.000 12.28900 H ? A ? 13 HD11 1
   ATOM 168 HD12 . ILE A 25 ? -2.42526 -4.33549 -19.05204 1.000 12.28900 H ? A ? 13 HD12 1
   ATOM 169 HD13 . ILE A 25 ? -2.01370 -3.15134 -20.02771 1.000 12.28900 H ? A ? 13 HD13 1
   ATOM 170 N . THR A 26 ? -5.33310 -7.58242 -22.44712 1.000 8.88980 N ? A ? 14 N 1
   ATOM 171 CA . THR A 26 ? -6.30252 -8.53829 -21.93906 1.000 9.17954 C ? A ? 14 CA 1
   ATOM 172 C . THR A 26 ? -5.90671 -9.97394 -22.29038 1.000 10.76091 C ? A ? 14 C 1
   ATOM 173 O . THR A 26 ? -5.24981 -10.23539 -23.29020 1.000 12.30418 O ? A ? 14 O 1
   ATOM 174 CB . THR A 26 ? -7.69856 -8.25822 -22.48498 1.000 8.68043 C ? A ? 14 CB 1
   ATOM 175 OG1 . THR A 26 ? -7.72927 -8.47947 -23.89915 1.000 10.24816 O ? A ? 14 OG1 1
   ATOM 176 CG2 . THR A 26 ? -8.22003 -6.88051 -22.09126 1.000 9.60305 C ? A ? 14 CG2 1
   ATOM 177 H . THR A 26 ? -5.56550 -7.20102 -23.18205 1.000 10.68565 H ? A ? 14 H 1
   ATOM 178 HA . THR A 26 ? -6.33011 -8.45336 -20.97318 1.000 11.03334 H ? A ? 14 HA 1
   ATOM 179 HB . THR A 26 ? -8.32423 -8.87885 -22.07969 1.000 10.43440 H ? A ? 14 HB 1
   ATOM 180 HG1 . THR A 26 ? -7.02070 -8.85685 -24.14635 1.000 12.31568 H ? A ? 14 HG1 1
   ATOM 181 HG21 . THR A 26 ? -9.14890 -6.78940 -22.35546 1.000 11.54155 H ? A ? 14 HG21 1
   ATOM 182 HG22 . THR A 26 ? -8.15290 -6.76239 -21.13082 1.000 11.54155 H ? A ? 14 HG22 1
   ATOM 183 HG23 . THR A 26 ? -7.69868 -6.19047 -22.53049 1.000 11.54155 H ? A ? 14 HG23 1
   ATOM 184 N . SER A 27 ? -6.34537 -10.90431 -21.44252 1.000 11.80478 N ? A ? 15 N 1
   ATOM 185 CA . SER A 27 ? -6.08926 -12.32025 -21.69219 1.000 11.64046 C ? A ? 15 CA 1
   ATOM 186 C . SER A 27 ? -6.80676 -12.79699 -22.94359 1.000 11.42579 C ? A ? 15 C 1
   ATOM 187 O . SER A 27 ? -6.26880 -13.59834 -23.71088 1.000 16.29693 O ? A ? 15 O 1
   ATOM 188 CB . SER A 27 ? -6.55819 -13.13275 -20.48554 1.000 15.90534 C ? A ? 15 CB 1
   ATOM 189 OG . SER A 27 ? -5.80923 -12.79370 -19.32393 1.000 22.28493 O ? A ? 15 OG 1
   ATOM 190 H . SER A 27 ? -6.78878 -10.74392 -20.72331 1.000 14.18363 H ? A ? 15 H 1
   ATOM 191 HA . SER A 27 ? -5.13692 -12.45467 -21.81816 1.000 13.98644 H ? A ? 15 HA 1
   ATOM 192 HB2 . SER A 27 ? -7.49564 -12.94395 -20.32291 1.000 19.10429 H ? A ? 15 HB2 1
   ATOM 193 HB3 . SER A 27 ? -6.43776 -14.07653 -20.67442 1.000 19.10429 H ? A ? 15 HB3 1
   ATOM 194 HG . SER A 27 ? -5.92231 -11.98291 -19.13569 1.000 26.75980 H ? A ? 15 HG 1
   ATOM 195 N . LYS A 28 ? -8.02073 -12.30439 -23.17947 1.000 12.31454 N ? A ? 16 N 1
   ATOM 196 CA . LYS A 28 ? -8.82379 -12.77633 -24.30002 1.000 14.64454 C ? A ? 16 CA 1
   ATOM 197 C . LYS A 28 ? -8.55237 -12.00731 -25.58729 1.000 14.36039 C ? A ? 16 C 1
   ATOM 198 O . LYS A 28 ? -9.09815 -12.36375 -26.64292 1.000 15.56505 O ? A ? 16 O 1
   ATOM 199 CB . LYS A 28 ? -10.31385 -12.67150 -23.96642 1.000 21.84288 C ? A ? 16 CB 1
   ATOM 200 CG . LYS A 28 ? -10.81117 -13.54520 -22.83839 1.000 24.65698 C ? A ? 16 CG 1
   ATOM 201 CD . LYS A 28 ? -10.05804 -13.13249 -21.39739 1.000 49.37580 C ? A ? 16 CD 1
   ATOM 202 CE . LYS A 28 ? -10.59127 -11.84081 -20.46502 1.000 67.03796 C ? A ? 16 CE 1
   ATOM 203 NZ . LYS A 28 ? -9.87861 -11.35649 -19.75212 1.000 62.68788 N ? A ? 16 NZ 1
   ATOM 204 H . LYS A 28 ? -8.39965 -11.69630 -22.70381 1.000 14.79534 H ? A ? 16 H 1
   ATOM 205 HA . LYS A 28 ? -8.61577 -13.71111 -24.45433 1.000 17.59134 H ? A ? 16 HA 1
   ATOM 206 HB2 . LYS A 28 ? -10.50412 -11.75268 -23.72052 1.000 26.22934 H ? A ? 16 HB2 1
   ATOM 207 HB3 . LYS A 28 ? -10.81825 -12.91417 -24.75863 1.000 26.22934 H ? A ? 16 HB3 1
   ATOM 208 HG2 . LYS A 28 ? -11.76786 -13.42533 -22.73217 1.000 29.60627 H ? A ? 16 HG2 1
   ATOM 209 HG3 . LYS A 28 ? -10.61305 -14.47410 -23.03535 1.000 29.60627 H ? A ? 16 HG3 1
   ATOM 210 HD2 . LYS A 28 ? -10.10909 -13.90998 -20.81963 1.000 59.26884 H ? A ? 16 HD2 1
   ATOM 211 HD3 . LYS A 28 ? -9.13190 -12.93672 -21.60910 1.000 59.26884 H ? A ? 16 HD3 1
   ATOM 212 HE2 . LYS A 28 ? -10.88530 -11.14394 -21.07233 1.000 80.46344 H ? A ? 16 HE2 1
   ATOM 213 HE3 . LYS A 28 ? -11.33908 -12.15402 -19.93250 1.000 80.46344 H ? A ? 16 HE3 1
   ATOM 214 HZ1 . LYS A 28 ? -10.28327 -10.69017 -19.32275 1.000 75.24334 H ? A ? 16 HZ1 1
   ATOM 215 HZ2 . LYS A 28 ? -9.59212 -11.95227 -19.15624 1.000 75.24334 H ? A ? 16 HZ2 1
   ATOM 216 HZ3 . LYS A 28 ? -9.17849 -11.03155 -20.19523 1.000 75.24334 H ? A ? 16 HZ3 1
   ATOM 217 N . LYS A 29 ? -7.72654 -10.96643 -25.52293 1.000 13.70036 N ? A ? 17 N 1
   ATOM 218 CA . LYS A 29 ? -7.42894 -10.09547 -26.66202 1.000 10.09955 C ? A ? 17 CA 1
   ATOM 219 C . LYS A 29 ? -8.71618 -9.52616 -27.26381 1.000 12.53092 C ? A ? 17 C 1
   ATOM 220 O . LYS A 29 ? -8.95526 -9.60324 -28.47342 1.000 12.52489 O ? A ? 17 O 1
   ATOM 221 CB . LYS A 29 ? -6.53940 -10.76843 -27.71267 1.000 13.29352 C ? A ? 17 CB 1
   ATOM 222 CG . LYS A 29 ? -5.12001 -11.10458 -27.20206 1.000 13.35995 C ? A ? 17 CG 1
   ATOM 223 CD . LYS A 29 ? -4.32708 -9.84573 -26.90733 1.000 15.23905 C ? A ? 17 CD 1
   ATOM 224 CE . LYS A 29 ? -2.90054 -10.12661 -26.44228 1.000 20.12374 C ? A ? 17 CE 1
   ATOM 225 NZ . LYS A 29 ? -2.94929 -10.31896 -24.97304 1.000 25.06993 N ? A ? 17 NZ 1
   ATOM 226 H . LYS A 29 ? -7.31091 -10.73432 -24.80671 1.000 16.45832 H ? A ? 17 H 1
   ATOM 227 HA . LYS A 29 ? -6.91013 -9.34692 -26.32825 1.000 12.13735 H ? A ? 17 HA 1
   ATOM 228 HB2 . LYS A 29 ? -6.95832 -11.59783 -27.99109 1.000 15.97011 H ? A ? 17 HB2 1
   ATOM 229 HB3 . LYS A 29 ? -6.44761 -10.17190 -28.47202 1.000 15.97011 H ? A ? 17 HB3 1
   ATOM 230 HG2 . LYS A 29 ? -5.18623 -11.62240 -26.38451 1.000 16.04983 H ? A ? 17 HG2 1
   ATOM 231 HG3 . LYS A 29 ? -4.64625 -11.61261 -27.87908 1.000 16.04983 H ? A ? 17 HG3 1
   ATOM 232 HD2 . LYS A 29 ? -4.27668 -9.30962 -27.71414 1.000 18.30475 H ? A ? 17 HD2 1
   ATOM 233 HD3 . LYS A 29 ? -4.77595 -9.34825 -26.20595 1.000 18.30475 H ? A ? 17 HD3 1
   ATOM 234 HE2 . LYS A 29 ? -2.56105 -10.93227 -26.86247 1.000 24.16638 H ? A ? 17 HE2 1
   ATOM 235 HE3 . LYS A 29 ? -2.32351 -9.37530 -26.65076 1.000 24.16638 H ? A ? 17 HE3 1
   ATOM 236 HZ1 . LYS A 29 ? -3.15867 -9.55228 -24.57245 1.000 30.10180 H ? A ? 17 HZ1 1
   ATOM 237 HZ2 . LYS A 29 ? -3.56262 -10.92982 -24.76620 1.000 30.10180 H ? A ? 17 HZ2 1
   ATOM 238 HZ3 . LYS A 29 ? -2.15662 -10.59325 -24.67549 1.000 30.10180 H ? A ? 17 HZ3 1
   ATOM 239 N . ASP A 30 ? -9.55711 -8.94910 -26.40463 1.000 9.45063 N ? A ? 18 N 1
   ATOM 240 CA . ASP A 30 ? -10.82935 -8.33294 -26.78115 1.000 10.35467 C ? A ? 18 CA 1
   ATOM 241 C . ASP A 30 ? -10.76651 -6.80873 -26.73984 1.000 9.77577 C ? A ? 18 C 1
   ATOM 242 O . ASP A 30 ? -11.81269 -6.14853 -26.79187 1.000 10.50582 O ? A ? 18 O 1
   ATOM 243 CB . ASP A 30 ? -11.97978 -8.84735 -25.91101 1.000 12.16468 C ? A ? 18 CB 1
   ATOM 244 CG . ASP A 30 ? -11.77458 -8.56495 -24.43649 1.000 11.35251 C ? A ? 18 CG 1
   ATOM 245 OD1 . ASP A 30 ? -10.91604 -7.71228 -24.09672 1.000 11.44556 O ? A ? 18 OD1 1
   ATOM 246 OD2 . ASP A 30 ? -12.49223 -9.18893 -23.61707 1.000 14.66270 O ? A ? 18 OD2 1
   ATOM 247 H . ASP A 30 ? -9.40562 -8.89984 -25.55951 1.000 11.35865 H ? A ? 18 H 1
   ATOM 248 HA . ASP A 30 ? -11.03251 -8.59974 -27.69134 1.000 12.44349 H ? A ? 18 HA 1
   ATOM 249 HB2 . ASP A 30 ? -12.80258 -8.41421 -26.18721 1.000 14.61551 H ? A ? 18 HB2 1
   ATOM 250 HB3 . ASP A 30 ? -12.05620 -9.80768 -26.02420 1.000 14.61551 H ? A ? 18 HB3 1
   ATOM 251 N . ARG A 31 ? -9.56407 -6.24208 -26.64695 1.000 8.39012 N ? A ? 19 N 1
   ATOM 252 CA . ARG A 31 ? -9.32175 -4.80355 -26.60397 1.000 8.23700 C ? A ? 19 CA 1
   ATOM 253 C . ARG A 31 ? -9.98926 -4.12869 -25.41384 1.000 7.70057 C ? A ? 19 C 1
   ATOM 254 O . ARG A 31 ? -10.16484 -2.90481 -25.40859 1.000 9.12511 O ? A ? 19 O 1
   ATOM 255 CB . ARG A 31 ? -9.68788 -4.11185 -27.92218 1.000 9.55611 C ? A ? 19 CB 1
   ATOM 256 CG . ARG A 31 ? -8.76498 -4.51827 -29.03442 1.000 7.80723 C ? A ? 19 CG 1
   ATOM 257 CD . ARG A 31 ? -9.16261 -3.95798 -30.41216 1.000 9.71096 C ? A ? 19 CD 1
   ATOM 258 NE . ARG A 31 ? -9.32625 -2.50461 -30.43755 1.000 9.46728 N ? A ? 19 NE 1
   ATOM 259 CZ . ARG A 31 ? -8.33491 -1.63528 -30.57809 1.000 7.88180 C ? A ? 19 CZ 1
   ATOM 260 NH1 . ARG A 31 ? -7.07677 -2.02147 -30.64863 1.000 10.06037 N ? A ? 19 NH1 1
   ATOM 261 NH2 . ARG A 31 ? -8.61517 -0.32981 -30.65689 1.000 9.77111 N ? A ? 19 NH2 1
   ATOM 262 H . ARG A 31 ? -8.83507 -6.69641 -26.60525 1.000 10.08603 H ? A ? 19 H 1
   ATOM 263 HA . ARG A 31 ? -8.36749 -4.67458 -26.48719 1.000 9.90229 H ? A ? 19 HA 1
   ATOM 264 HB2 . ARG A 31 ? -10.59278 -4.35657 -28.17153 1.000 11.48522 H ? A ? 19 HB2 1
   ATOM 265 HB3 . ARG A 31 ? -9.62363 -3.15074 -27.80799 1.000 11.48522 H ? A ? 19 HB3 1
   ATOM 266 HG2 . ARG A 31 ? -7.87236 -4.19694 -28.83228 1.000 9.38656 H ? A ? 19 HG2 1
   ATOM 267 HG3 . ARG A 31 ? -8.76233 -5.48607 -29.09969 1.000 9.38656 H ? A ? 19 HG3 1
   ATOM 268 HD2 . ARG A 31 ? -8.47198 -4.18796 -31.05328 1.000 11.67104 H ? A ? 19 HD2 1
   ATOM 269 HD3 . ARG A 31 ? -10.00717 -4.35425 -30.67785 1.000 11.67104 H ? A ? 19 HD3 1
   ATOM 270 HE . ARG A 31 ? -10.12294 -2.19134 -30.35539 1.000 11.37863 H ? A ? 19 HE 1
   ATOM 271 HH11 . ARG A 31 ? -6.88043 -2.85753 -30.60349 1.000 12.09033 H ? A ? 19 HH11 1
   ATOM 272 HH12 . ARG A 31 ? -6.45216 -1.43739 -30.73981 1.000 12.09033 H ? A ? 19 HH12 1
   ATOM 273 HH21 . ARG A 31 ? -9.43142 -0.06203 -30.61634 1.000 11.74322 H ? A ? 19 HH21 1
   ATOM 274 HH22 . ARG A 31 ? -7.97913 0.24179 -30.74812 1.000 11.74322 H ? A ? 19 HH22 1
   ATOM 275 N . GLY A 32 ? -10.32348 -4.89374 -24.37760 1.000 8.55078 N ? A ? 20 N 1
   ATOM 276 CA . GLY A 32 ? -11.02448 -4.32966 -23.23621 1.000 8.00809 C ? A ? 20 CA 1
   ATOM 277 C . GLY A 32 ? -10.15857 -3.45446 -22.36363 1.000 7.74103 C ? A ? 20 C 1
   ATOM 278 O . GLY A 32 ? -10.69769 -2.63380 -21.61322 1.000 8.70201 O ? A ? 20 O 1
   ATOM 279 H . GLY A 32 ? -10.15604 -5.73489 -24.31405 1.000 10.27882 H ? A ? 20 H 1
   ATOM 280 HA2 . GLY A 32 ? -11.76741 -3.79404 -23.55568 1.000 9.62759 H ? A ? 20 HA2 1
   ATOM 281 HA3 . GLY A 32 ? -11.36879 -5.05267 -22.68885 1.000 9.62759 H ? A ? 20 HA3 1
   ATOM 282 N . VAL A 33 ? -8.83776 -3.62960 -22.43160 1.000 8.00042 N ? A ? 21 N 1
   ATOM 283 CA . VAL A 33 ? -7.87422 -2.82971 -21.67985 1.000 7.82227 C ? A ? 21 CA 1
   ATOM 284 C . VAL A 33 ? -6.74841 -2.56309 -22.68867 1.000 6.82599 C ? A ? 21 C 1
   ATOM 285 O . VAL A 33 ? -6.06345 -3.48372 -23.10726 1.000 7.60480 O ? A ? 21 O 1
   ATOM 286 CB . VAL A 33 ? -7.33854 -3.54594 -20.44249 1.000 6.03877 C ? A ? 21 CB 1
   ATOM 287 CG1 . VAL A 33 ? -6.46470 -2.59657 -19.65711 1.000 9.63644 C ? A ? 21 CG1 1
   ATOM 288 CG2 . VAL A 33 ? -8.48761 -4.06434 -19.59829 1.000 8.20083 C ? A ? 21 CG2 1
   ATOM 289 H . VAL A 33 ? -8.46435 -4.22736 -22.92439 1.000 9.61840 H ? A ? 21 H 1
   ATOM 290 HA . VAL A 33 ? -8.26711 -1.99713 -21.37432 1.000 9.40461 H ? A ? 21 HA 1
   ATOM 291 HB . VAL A 33 ? -6.80250 -4.31064 -20.70479 1.000 7.26441 H ? A ? 21 HB 1
   ATOM 292 HG11 . VAL A 33 ? -6.22050 -3.01434 -18.81643 1.000 11.58161 H ? A ? 21 HG11 1
   ATOM 293 HG12 . VAL A 33 ? -5.66708 -2.40118 -20.17337 1.000 11.58161 H ? A ? 21 HG12 1
   ATOM 294 HG13 . VAL A 33 ? -6.95845 -1.77875 -19.48894 1.000 11.58161 H ? A ? 21 HG13 1
   ATOM 295 HG21 . VAL A 33 ? -8.13194 -4.44279 -18.77903 1.000 9.85888 H ? A ? 21 HG21 1
   ATOM 296 HG22 . VAL A 33 ? -9.08428 -3.32823 -19.39086 1.000 9.85888 H ? A ? 21 HG22 1
   ATOM 297 HG23 . VAL A 33 ? -8.96415 -4.74573 -20.09780 1.000 9.85888 H ? A ? 21 HG23 1
   ATOM 298 N . LEU A 34 ? -6.59496 -1.29811 -23.05034 1.000 7.12283 N ? A ? 22 N 1
   ATOM 299 CA . LEU A 34 ? -5.57130 -0.86584 -23.98880 1.000 7.71024 C ? A ? 22 CA 1
   ATOM 300 C . LEU A 34 ? -4.62384 0.09145 -23.29498 1.000 7.72615 C ? A ? 22 C 1
   ATOM 301 O . LEU A 34 ? -5.05735 0.94898 -22.52088 1.000 7.82176 O ? A ? 22 O 1
   ATOM 302 CB . LEU A 34 ? -6.19543 -0.16793 -25.20263 1.000 8.53662 C ? A ? 22 CB 1
   ATOM 303 CG . LEU A 34 ? -7.05694 -1.02052 -26.14081 1.000 9.28178 C ? A ? 22 CG 1
   ATOM 304 CD1 . LEU A 34 ? -7.83438 -0.11543 -27.10893 1.000 9.51624 C ? A ? 22 CD1 1
   ATOM 305 CD2 . LEU A 34 ? -6.17569 -2.00757 -26.89284 1.000 11.12375 C ? A ? 22 CD2 1
   ATOM 306 H . LEU A 34 ? -7.08497 -0.65482 -22.75766 1.000 8.56529 H ? A ? 22 H 1
   ATOM 307 HA . LEU A 34 ? -5.06921 -1.63609 -24.29786 1.000 9.27018 H ? A ? 22 HA 1
   ATOM 308 HB2 . LEU A 34 ? -6.76131 0.54840 -24.87470 1.000 10.26183 H ? A ? 22 HB2 1
   ATOM 309 HB3 . LEU A 34 ? -5.47408 0.19783 -25.73814 1.000 10.26183 H ? A ? 22 HB3 1
   ATOM 310 HG . LEU A 34 ? -7.70536 -1.52892 -25.62897 1.000 11.15603 H ? A ? 22 HG 1
   ATOM 311 HD11 . LEU A 34 ? -8.37970 -0.66888 -27.68963 1.000 11.43737 H ? A ? 22 HD11 1
   ATOM 312 HD12 . LEU A 34 ? -8.39963 0.48343 -26.59634 1.000 11.43737 H ? A ? 22 HD12 1
   ATOM 313 HD13 . LEU A 34 ? -7.20316 0.39722 -27.63775 1.000 11.43737 H ? A ? 22 HD13 1
   ATOM 314 HD21 . LEU A 34 ? -6.71734 -2.48408 -27.54126 1.000 13.36639 H ? A ? 22 HD21 1
   ATOM 315 HD22 . LEU A 34 ? -5.47031 -1.51960 -27.34585 1.000 13.36639 H ? A ? 22 HD22 1
   ATOM 316 HD23 . LEU A 34 ? -5.79086 -2.63345 -26.25953 1.000 13.36639 H ? A ? 22 HD23 1
   ATOM 317 N . LYS A 35 ? -3.33918 -0.06580 -23.55245 1.000 7.06817 N ? A ? 23 N 1
   ATOM 318 CA . LYS A 35 ? -2.31103 0.64236 -22.79750 1.000 6.86199 C ? A ? 23 CA 1
   ATOM 319 C . LYS A 35 ? -1.26876 1.27856 -23.69052 1.000 8.81897 C ? A ? 23 C 1
   ATOM 320 O . LYS A 35 ? -0.80384 0.65813 -24.65281 1.000 8.24695 O ? A ? 23 O 1
   ATOM 321 CB . LYS A 35 ? -1.57685 -0.36218 -21.88838 1.000 7.74057 C ? A ? 23 CB 1
   ATOM 322 CG . LYS A 35 ? -0.48294 0.26159 -21.03064 1.000 6.28202 C ? A ? 23 CG 1
   ATOM 323 CD . LYS A 35 ? 0.37384 -0.75244 -20.27369 1.000 8.15549 C ? A ? 23 CD 1
   ATOM 324 CE . LYS A 35 ? 1.42895 -0.03377 -19.44935 1.000 8.44462 C ? A ? 23 CE 1
   ATOM 325 NZ . LYS A 35 ? 2.46600 -0.96366 -18.90054 1.000 7.77887 N ? A ? 23 NZ 1
   ATOM 326 H . LYS A 35 ? -3.02962 -0.58253 -24.16626 1.000 8.49969 H ? A ? 23 H 1
   ATOM 327 HA . LYS A 35 ? -2.73902 1.35614 -22.29925 1.000 8.25228 H ? A ? 23 HA 1
   ATOM 328 HB2 . LYS A 35 ? -2.22299 -0.77062 -21.29124 1.000 9.30658 H ? A ? 23 HB2 1
   ATOM 329 HB3 . LYS A 35 ? -1.16415 -1.04095 -22.44502 1.000 9.30658 H ? A ? 23 HB3 1
   ATOM 330 HG2 . LYS A 35 ? 0.10759 0.77449 -21.60432 1.000 7.55632 H ? A ? 23 HG2 1
   ATOM 331 HG3 . LYS A 35 ? -0.89645 0.84417 -20.37450 1.000 7.55632 H ? A ? 23 HG3 1
   ATOM 332 HD2 . LYS A 35 ? -0.18652 -1.27191 -19.67616 1.000 9.80447 H ? A ? 23 HD2 1
   ATOM 333 HD3 . LYS A 35 ? 0.81921 -1.33924 -20.90473 1.000 9.80447 H ? A ? 23 HD3 1
   ATOM 334 HE2 . LYS A 35 ? 1.87760 0.61900 -20.00925 1.000 10.15143 H ? A ? 23 HE2 1
   ATOM 335 HE3 . LYS A 35 ? 0.99851 0.41013 -18.70197 1.000 10.15143 H ? A ? 23 HE3 1
   ATOM 336 HZ1 . LYS A 35 ? 2.29585 -1.13834 -18.04460 1.000 9.35253 H ? A ? 23 HZ1 1
   ATOM 337 HZ2 . LYS A 35 ? 2.46241 -1.72741 -19.35745 1.000 9.35253 H ? A ? 23 HZ2 1
   ATOM 338 HZ3 . LYS A 35 ? 3.27232 -0.59242 -18.96481 1.000 9.35253 H ? A ? 23 HZ3 1
   ATOM 339 N . ILE A 36 ? -0.87005 2.50148 -23.34598 1.000 6.98984 N ? A ? 24 N 1
   ATOM 340 CA . ILE A 36 ? 0.34095 3.11290 -23.89071 1.000 7.11630 C ? A ? 24 CA 1
   ATOM 341 C . ILE A 36 ? 1.24499 3.55544 -22.75704 1.000 7.93325 C ? A ? 24 C 1
   ATOM 342 O . ILE A 36 ? 0.79187 4.26078 -21.84329 1.000 8.19057 O ? A ? 24 O 1
   ATOM 343 CB . ILE A 36 ? 0.05592 4.31417 -24.80615 1.000 9.00591 C ? A ? 24 CB 1
   ATOM 344 CG1 . ILE A 36 ? -0.73550 3.88701 -26.04222 1.000 12.06634 C ? A ? 24 CG1 1
   ATOM 345 CG2 . ILE A 36 ? 1.39112 4.95684 -25.24046 1.000 12.82952 C ? A ? 24 CG2 1
   ATOM 346 CD1 . ILE A 36 ? -1.08201 5.00911 -26.96326 1.000 16.87543 C ? A ? 24 CD1 1
   ATOM 347 H . ILE A 36 ? -1.29138 3.00405 -22.78965 1.000 8.40570 H ? A ? 24 H 1
   ATOM 348 HA . ILE A 36 ? 0.79071 2.42547 -24.40652 1.000 8.55744 H ? A ? 24 HA 1
   ATOM 349 HB . ILE A 36 ? -0.47651 4.95593 -24.31061 1.000 10.82498 H ? A ? 24 HB 1
   ATOM 350 HG12 . ILE A 36 ? -0.20633 3.24721 -26.54375 1.000 14.49750 H ? A ? 24 HG12 1
   ATOM 351 HG13 . ILE A 36 ? -1.56545 3.47670 -25.75284 1.000 14.49750 H ? A ? 24 HG13 1
   ATOM 352 HG21 . ILE A 36 ? 1.20861 5.66162 -25.88146 1.000 15.41331 H ? A ? 24 HG21 1
   ATOM 353 HG22 . ILE A 36 ? 1.83261 5.32605 -24.45965 1.000 15.41331 H ? A ? 24 HG22 1
   ATOM 354 HG23 . ILE A 36 ? 1.95133 4.27714 -25.64675 1.000 15.41331 H ? A ? 24 HG23 1
   ATOM 355 HD11 . ILE A 36 ? -1.71771 4.69107 -27.62329 1.000 20.26840 H ? A ? 24 HD11 1
   ATOM 356 HD12 . ILE A 36 ? -1.47386 5.73131 -26.44772 1.000 20.26840 H ? A ? 24 HD12 1
   ATOM 357 HD13 . ILE A 36 ? -0.27442 5.31723 -27.40343 1.000 20.26840 H ? A ? 24 HD13 1
   ATOM 358 N . VAL A 37 ? 2.52293 3.20505 -22.83116 1.000 9.68113 N ? A ? 25 N 1
   ATOM 359 CA . VAL A 37 ? 3.52013 3.72398 -21.89194 1.000 7.99067 C ? A ? 25 CA 1
   ATOM 360 C . VAL A 37 ? 3.87322 5.14824 -22.30026 1.000 10.51064 C ? A ? 25 C 1
   ATOM 361 O . VAL A 37 ? 4.33143 5.38826 -23.42567 1.000 11.86839 O ? A ? 25 O 1
   ATOM 362 CB . VAL A 37 ? 4.76748 2.83858 -21.85062 1.000 8.98548 C ? A ? 25 CB 1
   ATOM 363 CG1 . VAL A 37 ? 5.86033 3.47040 -21.00902 1.000 10.12779 C ? A ? 25 CG1 1
   ATOM 364 CG2 . VAL A 37 ? 4.42858 1.44582 -21.29775 1.000 9.73029 C ? A ? 25 CG2 1
   ATOM 365 H . VAL A 37 ? 2.84374 2.66506 -23.41860 1.000 11.63525 H ? A ? 25 H 1
   ATOM 366 HA . VAL A 37 ? 3.13579 3.74242 -21.00152 1.000 9.60670 H ? A ? 25 HA 1
   ATOM 367 HB . VAL A 37 ? 5.09585 2.74400 -22.75843 1.000 10.80046 H ? A ? 25 HB 1
   ATOM 368 HG11 . VAL A 37 ? 6.54352 2.80600 -20.82808 1.000 12.17124 H ? A ? 25 HG11 1
   ATOM 369 HG12 . VAL A 37 ? 6.24439 4.21519 -21.49757 1.000 12.17124 H ? A ? 25 HG12 1
   ATOM 370 HG13 . VAL A 37 ? 5.47553 3.78454 -20.17587 1.000 12.17124 H ? A ? 25 HG13 1
   ATOM 371 HG21 . VAL A 37 ? 5.22587 0.89387 -21.32192 1.000 11.69423 H ? A ? 25 HG21 1
   ATOM 372 HG22 . VAL A 37 ? 4.11644 1.53622 -20.38381 1.000 11.69423 H ? A ? 25 HG22 1
   ATOM 373 HG23 . VAL A 37 ? 3.73445 1.04850 -21.84659 1.000 11.69423 H ? A ? 25 HG23 1
   ATOM 374 N . LYS A 38 ? 3.67104 6.10403 -21.40686 1.000 8.14563 N ? A ? 26 N 1
   ATOM 375 CA . LYS A 38 ? 3.98243 7.50251 -21.68309 1.000 8.67158 C ? A ? 26 CA 1
   ATOM 376 C . LYS A 38 ? 5.29436 7.96050 -21.08145 1.000 12.81855 C ? A ? 26 C 1
   ATOM 377 O . LYS A 38 ? 5.88424 8.92203 -21.57973 1.000 15.57248 O ? A ? 26 O 1
   ATOM 378 CB . LYS A 38 ? 2.88005 8.42223 -21.16175 1.000 10.81145 C ? A ? 26 CB 1
   ATOM 379 CG . LYS A 38 ? 1.48882 8.11143 -21.70199 1.000 13.51240 C ? A ? 26 CG 1
   ATOM 380 CD . LYS A 38 ? 1.41485 8.06736 -23.20214 1.000 15.15557 C ? A ? 26 CD 1
   ATOM 381 CE . LYS A 38 ? 1.51424 9.42762 -23.79524 1.000 16.04965 C ? A ? 26 CE 1
   ATOM 382 NZ . LYS A 38 ? 1.22398 9.32863 -25.26019 1.000 24.85253 N ? A ? 26 NZ 1
   ATOM 383 H . LYS A 38 ? 3.34971 5.96892 -20.62067 1.000 9.79264 H ? A ? 26 H 1
   ATOM 384 HA . LYS A 38 ? 4.03204 7.60596 -22.64629 1.000 10.42379 H ? A ? 26 HA 1
   ATOM 385 HB2 . LYS A 38 ? 2.84341 8.34358 -20.19564 1.000 12.99162 H ? A ? 26 HB2 1
   ATOM 386 HB3 . LYS A 38 ? 3.09458 9.33438 -21.41245 1.000 12.99162 H ? A ? 26 HB3 1
   ATOM 387 HG2 . LYS A 38 ? 1.21052 7.24448 -21.36755 1.000 16.23277 H ? A ? 26 HG2 1
   ATOM 388 HG3 . LYS A 38 ? 0.87486 8.79751 -21.39662 1.000 16.23277 H ? A ? 26 HG3 1
   ATOM 389 HD2 . LYS A 38 ? 2.14782 7.53185 -23.54402 1.000 18.20457 H ? A ? 26 HD2 1
   ATOM 390 HD3 . LYS A 38 ? 0.56725 7.67943 -23.47042 1.000 18.20457 H ? A ? 26 HD3 1
   ATOM 391 HE2 . LYS A 38 ? 0.86558 10.01878 -23.38212 1.000 19.27746 H ? A ? 26 HE2 1
   ATOM 392 HE3 . LYS A 38 ? 2.40968 9.77960 -23.67190 1.000 19.27746 H ? A ? 26 HE3 1
   ATOM 393 HZ1 . LYS A 38 ? 0.93617 10.11287 -25.56715 1.000 29.84092 H ? A ? 26 HZ1 1
   ATOM 394 HZ2 . LYS A 38 ? 1.96168 9.09872 -25.70182 1.000 29.84092 H ? A ? 26 HZ2 1
   ATOM 395 HZ3 . LYS A 38 ? 0.59699 8.71390 -25.40541 1.000 29.84092 H ? A ? 26 HZ3 1
   ATOM 396 N . ARG A 39 ? 5.74465 7.32680 -20.01472 1.000 10.43824 N ? A ? 27 N 1
   ATOM 397 CA . ARG A 39 ? 7.07116 7.54688 -19.44317 1.000 9.59040 C ? A ? 27 CA 1
   ATOM 398 C . ARG A 39 ? 7.57892 6.19105 -18.98118 1.000 9.83190 C ? A ? 27 C 1
   ATOM 399 O . ARG A 39 ? 6.91640 5.53082 -18.17575 1.000 10.53810 O ? A ? 27 O 1
   ATOM 400 CB . ARG A 39 ? 7.03455 8.51789 -18.26481 1.000 12.62680 C ? A ? 27 CB 1
   ATOM 401 CG . ARG A 39 ? 8.44146 8.82032 -17.74949 1.000 14.53322 C ? A ? 27 CG 1
   ATOM 402 CD . ARG A 39 ? 8.43182 9.76955 -16.59569 1.000 16.92413 C ? A ? 27 CD 1
   ATOM 403 NE . ARG A 39 ? 7.98751 9.13214 -15.36914 1.000 15.24326 N ? A ? 27 NE 1
   ATOM 404 CZ . ARG A 39 ? 7.66234 9.80187 -14.28223 1.000 13.62978 C ? A ? 27 CZ 1
   ATOM 405 NH1 . ARG A 39 ? 7.68519 11.12781 -14.26332 1.000 14.21003 N ? A ? 27 NH1 1
   ATOM 406 NH2 . ARG A 39 ? 7.30122 9.13321 -13.18887 1.000 13.91200 N ? A ? 27 NH2 1
   ATOM 407 H . ARG A 39 ? 5.28712 6.74041 -19.58297 1.000 12.54378 H ? A ? 27 H 1
   ATOM 408 HA . ARG A 39 ? 7.66285 7.92095 -20.11465 1.000 11.52637 H ? A ? 27 HA 1
   ATOM 409 HB2 . ARG A 39 ? 6.62625 9.35102 -18.54780 1.000 15.17005 H ? A ? 27 HB2 1
   ATOM 410 HB3 . ARG A 39 ? 6.52102 8.12570 -17.54137 1.000 15.17005 H ? A ? 27 HB3 1
   ATOM 411 HG2 . ARG A 39 ? 8.85735 7.99437 -17.45666 1.000 17.45775 H ? A ? 27 HG2 1
   ATOM 412 HG3 . ARG A 39 ? 8.96284 9.21931 -18.46354 1.000 17.45775 H ? A ? 27 HG3 1
   ATOM 413 HD2 . ARG A 39 ? 9.32980 10.10751 -16.45315 1.000 20.32684 H ? A ? 27 HD2 1
   ATOM 414 HD3 . ARG A 39 ? 7.82835 10.50334 -16.79134 1.000 20.32684 H ? A ? 27 HD3 1
   ATOM 415 HE . ARG A 39 ? 7.93390 8.27400 -15.35124 1.000 18.30979 H ? A ? 27 HE 1
   ATOM 416 HH11 . ARG A 39 ? 7.91489 11.56401 -14.96800 1.000 17.06992 H ? A ? 27 HH11 1
   ATOM 417 HH12 . ARG A 39 ? 7.47030 11.55139 -13.54638 1.000 17.06992 H ? A ? 27 HH12 1
   ATOM 418 HH21 . ARG A 39 ? 7.28210 8.27347 -13.19731 1.000 16.71229 H ? A ? 27 HH21 1
   ATOM 419 HH22 . ARG A 39 ? 7.08711 9.56109 -12.47425 1.000 16.71229 H ? A ? 27 HH22 1
   ATOM 420 N . VAL A 40 ? 8.73807 5.76978 -19.49172 1.000 11.85272 N ? A ? 28 N 1
   ATOM 421 CA . VAL A 40 ? 9.30812 4.48977 -19.10645 1.000 12.18798 C ? A ? 28 CA 1
   ATOM 422 C . VAL A 40 ? 9.78340 4.55802 -17.66631 1.000 11.09003 C ? A ? 28 C 1
   ATOM 423 O . VAL A 40 ? 10.37073 5.55848 -17.22889 1.000 14.24934 O ? A ? 28 O 1
   ATOM 424 CB . VAL A 40 ? 10.46012 4.12832 -20.06251 1.000 13.46581 C ? A ? 28 CB 1
   ATOM 425 CG1 . VAL A 40 ? 11.13295 2.83425 -19.66108 1.000 18.07764 C ? A ? 28 CG1 1
   ATOM 426 CG2 . VAL A 40 ? 9.94218 4.02275 -21.48230 1.000 16.21675 C ? A ? 28 CG2 1
   ATOM 427 H . VAL A 40 ? 9.20921 6.20917 -20.06142 1.000 14.24115 H ? A ? 28 H 1
   ATOM 428 HA . VAL A 40 ? 8.62986 3.79890 -19.16608 1.000 14.64346 H ? A ? 28 HA 1
   ATOM 429 HB . VAL A 40 ? 11.12516 4.83283 -20.01468 1.000 16.17686 H ? A ? 28 HB 1
   ATOM 430 HG11 . VAL A 40 ? 11.72840 2.55367 -20.37354 1.000 21.71106 H ? A ? 28 HG11 1
   ATOM 431 HG12 . VAL A 40 ? 11.63821 2.98060 -18.84609 1.000 21.71106 H ? A ? 28 HG12 1
   ATOM 432 HG13 . VAL A 40 ? 10.45362 2.15806 -19.51219 1.000 21.71106 H ? A ? 28 HG13 1
   ATOM 433 HG21 . VAL A 40 ? 10.67087 3.75849 -22.06545 1.000 19.47799 H ? A ? 28 HG21 1
   ATOM 434 HG22 . VAL A 40 ? 9.23660 3.35780 -21.51244 1.000 19.47799 H ? A ? 28 HG22 1
   ATOM 435 HG23 . VAL A 40 ? 9.59517 4.88594 -21.75687 1.000 19.47799 H ? A ? 28 HG23 1
   ATOM 436 N . GLY A 41 ? 9.52864 3.49295 -16.91357 1.000 10.54392 N ? A ? 29 N 1
   ATOM 437 CA . GLY A 41 ? 9.95002 3.39767 -15.53630 1.000 11.36363 C ? A ? 29 CA 1
   ATOM 438 C . GLY A 41 ? 11.34329 2.82205 -15.41731 1.000 12.38672 C ? A ? 29 C 1
   ATOM 439 O . GLY A 41 ? 12.07331 2.66895 -16.40774 1.000 13.72638 O ? A ? 29 O 1
   ATOM 440 H . GLY A 41 ? 9.10241 2.79965 -17.19154 1.000 12.67059 H ? A ? 29 H 1
   ATOM 441 HA2 . GLY A 41 ? 9.94534 4.28045 -15.13435 1.000 13.65425 H ? A ? 29 HA2 1
   ATOM 442 HA3 . GLY A 41 ? 9.33692 2.82547 -15.04886 1.000 13.65425 H ? A ? 29 HA3 1
   ATOM 443 N . ASN A 42 ? 11.69278 2.45045 -14.19944 1.000 10.95664 N ? A ? 30 N 1
   ATOM 444 CA . ASN A 42 ? 13.04267 1.98514 -13.89944 1.000 14.84624 C ? A ? 30 CA 1
   ATOM 445 C . ASN A 42 ? 13.08797 0.47562 -13.72939 1.000 19.68411 C ? A ? 30 C 1
   ATOM 446 O . ASN A 42 ? 12.14265 -0.15364 -13.24238 1.000 15.14141 O ? A ? 30 O 1
   ATOM 447 CB . ASN A 42 ? 13.55004 2.62957 -12.61561 1.000 20.39548 C ? A ? 30 CB 1
   ATOM 448 CG . ASN A 42 ? 13.43596 4.12784 -12.63926 1.000 25.19491 C ? A ? 30 CG 1
   ATOM 449 OD1 . ASN A 42 ? 12.89919 4.72735 -11.70669 1.000 37.38758 O ? A ? 30 OD1 1
   ATOM 450 ND2 . ASN A 42 ? 13.93541 4.74765 -13.70250 1.000 29.50214 N ? A ? 30 ND2 1
   ATOM 451 H . ASN A 42 ? 11.16418 2.45739 -13.52111 1.000 13.16586 H ? A ? 30 H 1
   ATOM 452 HA . ASN A 42 ? 13.62104 2.22355 -14.64075 1.000 17.83337 H ? A ? 30 HA 1
   ATOM 453 HB2 . ASN A 42 ? 13.02788 2.29982 -11.86760 1.000 24.49246 H ? A ? 30 HB2 1
   ATOM 454 HB3 . ASN A 42 ? 14.48483 2.40087 -12.49411 1.000 24.49246 H ? A ? 30 HB3 1
   ATOM 455 HD21 . ASN A 42 ? 13.89297 5.60467 -13.76000 1.000 35.42045 H ? A ? 30 HD21 1
   ATOM 456 HD22 . ASN A 42 ? 14.30125 4.29194 -14.33345 1.000 35.42045 H ? A ? 30 HD22 1
   ATOM 457 N . GLY A 43 ? 14.22012 -0.09899 -14.10715 1.000 16.73169 N ? A ? 31 N 1
   ATOM 458 CA . GLY A 43 ? 14.43666 -1.50804 -13.88137 1.000 17.02091 C ? A ? 31 CA 1
   ATOM 459 C . GLY A 43 ? 13.52333 -2.37193 -14.72442 1.000 15.03056 C ? A ? 31 C 1
   ATOM 460 O . GLY A 43 ? 13.07212 -2.00084 -15.81384 1.000 17.15918 O ? A ? 31 O 1
   ATOM 461 H . GLY A 43 ? 14.87284 0.30600 -14.49385 1.000 20.09592 H ? A ? 31 H 1
   ATOM 462 HA2 . GLY A 43 ? 15.35528 -1.73106 -14.09883 1.000 20.44298 H ? A ? 31 HA2 1
   ATOM 463 HA3 . GLY A 43 ? 14.27470 -1.71257 -12.94711 1.000 20.44298 H ? A ? 31 HA3 1
   ATOM 464 N . GLU A 44 ? 13.26543 -3.56931 -14.20904 1.000 14.23117 N ? A ? 32 N 1
   ATOM 465 CA . GLU A 44 ? 12.47122 -4.55026 -14.92886 1.000 14.13859 C ? A ? 32 CA 1
   ATOM 466 C . GLU A 44 ? 11.28722 -5.07325 -14.13260 1.000 12.73189 C ? A ? 32 C 1
   ATOM 467 O . GLU A 44 ? 10.29917 -5.50416 -14.73798 1.000 13.00189 O ? A ? 32 O 1
   ATOM 468 CB . GLU A 44 ? 13.33320 -5.75690 -15.33520 1.000 13.57461 C ? A ? 32 CB 1
   ATOM 469 CG . GLU A 44 ? 14.57259 -5.36651 -16.13372 1.000 22.89191 C ? A ? 32 CG 1
   ATOM 470 CD . GLU A 44 ? 15.42576 -6.55730 -16.54137 1.000 42.12109 C ? A ? 32 CD 1
   ATOM 471 OE1 . GLU A 44 ? 15.00478 -7.71782 -16.32373 1.000 33.00079 O ? A ? 32 OE1 1
   ATOM 472 OE2 . GLU A 44 ? 16.52824 -6.32466 -17.08083 1.000 50.47230 O ? A ? 32 OE2 1
   ATOM 473 H . GLU A 44 ? 13.54199 -3.83620 -13.43970 1.000 17.09530 H ? A ? 32 H 1
   ATOM 474 HA . GLU A 44 ? 12.13931 -4.13612 -15.74079 1.000 16.98419 H ? A ? 32 HA 1
   ATOM 475 HB2 . GLU A 44 ? 13.62706 -6.21725 -14.53356 1.000 16.30742 H ? A ? 32 HB2 1
   ATOM 476 HB3 . GLU A 44 ? 12.80004 -6.35337 -15.88372 1.000 16.30742 H ? A ? 32 HB3 1
   ATOM 477 HG2 . GLU A 44 ? 14.29379 -4.90943 -16.94258 1.000 27.48818 H ? A ? 32 HG2 1
   ATOM 478 HG3 . GLU A 44 ? 15.12210 -4.77806 -15.59274 1.000 27.48818 H ? A ? 32 HG3 1
   ATOM 479 N . GLU A 45 ? 11.33651 -5.02304 -12.81762 1.000 10.72601 N ? A ? 33 N 1
   ATOM 480 CA . GLU A 45 ? 10.30091 -5.66694 -12.02875 1.000 10.00043 C ? A ? 33 CA 1
   ATOM 481 C . GLU A 45 ? 8.97439 -4.93070 -12.13581 1.000 11.96710 C ? A ? 33 C 1
   ATOM 482 O . GLU A 45 ? 8.90296 -3.69384 -12.20350 1.000 9.83002 O ? A ? 33 O 1
   ATOM 483 CB . GLU A 45 ? 10.70173 -5.74215 -10.56931 1.000 11.93342 C ? A ? 33 CB 1
   ATOM 484 CG . GLU A 45 ? 11.05942 -4.41800 -9.95776 1.000 16.26248 C ? A ? 33 CG 1
   ATOM 485 CD . GLU A 45 ? 11.49846 -4.53220 -8.51362 1.000 20.90975 C ? A ? 33 CD 1
   ATOM 486 OE1 . GLU A 45 ? 11.73034 -3.48230 -7.89363 1.000 20.59851 O ? A ? 33 OE1 1
   ATOM 487 OE2 . GLU A 45 ? 11.61176 -5.66714 -8.00119 1.000 24.89695 O ? A ? 33 OE2 1
   ATOM 488 H . GLU A 45 ? 11.94912 -4.62877 -12.36061 1.000 12.88910 H ? A ? 33 H 1
   ATOM 489 HA . GLU A 45 ? 10.18108 -6.56732 -12.36913 1.000 12.01841 H ? A ? 33 HA 1
   ATOM 490 HB2 . GLU A 45 ? 9.96013 -6.10894 -10.06296 1.000 14.33799 H ? A ? 33 HB2 1
   ATOM 491 HB3 . GLU A 45 ? 11.47599 -6.32109 -10.49022 1.000 14.33799 H ? A ? 33 HB3 1
   ATOM 492 HG2 . GLU A 45 ? 11.78913 -4.02501 -10.46174 1.000 19.53287 H ? A ? 33 HG2 1
   ATOM 493 HG3 . GLU A 45 ? 10.28361 -3.83660 -9.98914 1.000 19.53287 H ? A ? 33 HG3 1
   ATOM 494 N . THR A 46 ? 7.90714 -5.71485 -12.09517 1.000 9.90041 N ? A ? 34 N 1
   ATOM 495 CA . THR A 46 ? 6.53067 -5.24548 -12.03185 1.000 8.81737 C ? A ? 34 CA 1
   ATOM 496 C . THR A 46 ? 5.80356 -6.02773 -10.96394 1.000 8.59780 C ? A ? 34 C 1
   ATOM 497 O . THR A 46 ? 6.22400 -7.13808 -10.58232 1.000 9.99053 O ? A ? 34 O 1
   ATOM 498 CB . THR A 46 ? 5.87242 -5.44994 -13.39849 1.000 8.26281 C ? A ? 34 CB 1
   ATOM 499 OG1 . THR A 46 ? 5.80493 -6.85512 -13.66028 1.000 9.71388 O ? A ? 34 OG1 1
   ATOM 500 CG2 . THR A 46 ? 6.68116 -4.79401 -14.49200 1.000 9.59912 C ? A ? 34 CG2 1
   ATOM 501 H . THR A 46 ? 7.95859 -6.57327 -12.10372 1.000 11.89838 H ? A ? 34 H 1
   ATOM 502 HA . THR A 46 ? 6.47898 -4.30612 -11.79556 1.000 10.59874 H ? A ? 34 HA 1
   ATOM 503 HB . THR A 46 ? 4.98671 -5.05445 -13.39834 1.000 9.93326 H ? A ? 34 HB 1
   ATOM 504 HG1 . THR A 46 ? 5.39395 -6.99393 -14.37960 1.000 11.67455 H ? A ? 34 HG1 1
   ATOM 505 HG21 . THR A 46 ? 6.24116 -4.91480 -15.34798 1.000 11.53684 H ? A ? 34 HG21 1
   ATOM 506 HG22 . THR A 46 ? 6.76992 -3.84446 -14.31489 1.000 11.53684 H ? A ? 34 HG22 1
   ATOM 507 HG23 . THR A 46 ? 7.56546 -5.19043 -14.53389 1.000 11.53684 H ? A ? 34 HG23 1
   ATOM 508 N . PRO A 47 ? 4.72823 -5.50171 -10.40317 1.000 7.82274 N ? A ? 35 N 1
   ATOM 509 CA . PRO A 47 ? 4.18659 -6.05678 -9.16581 1.000 9.02291 C ? A ? 35 CA 1
   ATOM 510 C . PRO A 47 ? 3.42632 -7.36201 -9.36772 1.000 8.41864 C ? A ? 35 C 1
   ATOM 511 O . PRO A 47 ? 2.76117 -7.59012 -10.38093 1.000 9.08478 O ? A ? 35 O 1
   ATOM 512 CB . PRO A 47 ? 3.25991 -4.95068 -8.64206 1.000 8.24807 C ? A ? 35 CB 1
   ATOM 513 CG . PRO A 47 ? 3.01507 -4.02582 -9.80027 1.000 10.79278 C ? A ? 35 CG 1
   ATOM 514 CD . PRO A 47 ? 4.17895 -4.17323 -10.74726 1.000 8.50415 C ? A ? 35 CD 1
   ATOM 515 HA . PRO A 47 ? 4.90680 -6.20864 -8.53403 1.000 10.84539 H ? A ? 35 HA 1
   ATOM 516 HB2 . PRO A 47 ? 2.42758 -5.34233 -8.33428 1.000 9.91558 H ? A ? 35 HB2 1
   ATOM 517 HB3 . PRO A 47 ? 3.69449 -4.48013 -7.91361 1.000 9.91558 H ? A ? 35 HB3 1
   ATOM 518 HG2 . PRO A 47 ? 2.18743 -4.27491 -10.24057 1.000 12.96923 H ? A ? 35 HG2 1
   ATOM 519 HG3 . PRO A 47 ? 2.95674 -3.11355 -9.47583 1.000 12.96923 H ? A ? 35 HG3 1
   ATOM 520 HD2 . PRO A 47 ? 3.87897 -4.15162 -11.66945 1.000 10.22286 H ? A ? 35 HD2 1
   ATOM 521 HD3 . PRO A 47 ? 4.83759 -3.47731 -10.59625 1.000 10.22286 H ? A ? 35 HD3 1
   ATOM 522 N . MET A 48 ? 3.51732 -8.20670 -8.34608 1.000 8.97076 N ? A ? 36 N 1
   ATOM 523 CA . MET A 48 ? 2.84019 -9.49189 -8.30311 1.000 8.77171 C ? A ? 36 CA 1
   ATOM 524 C . MET A 48 ? 1.53404 -9.36096 -7.55732 1.000 9.12699 C ? A ? 36 C 1
   ATOM 525 O . MET A 48 ? 1.34140 -8.45266 -6.75242 1.000 8.10002 O ? A ? 36 O 1
   ATOM 526 CB . MET A 48 ? 3.70682 -10.47759 -7.52467 1.000 10.18664 C ? A ? 36 CB 1
   ATOM 527 CG . MET A 48 ? 5.05791 -10.74498 -8.10338 1.000 9.79412 C ? A ? 36 CG 1
   ATOM 528 SD . MET A 48 ? 4.93654 -11.63560 -9.65213 1.000 11.36665 S ? A ? 36 SD 1
   ATOM 529 CE . MET A 48 ? 6.68794 -11.73813 -10.08436 1.000 14.98254 C ? A ? 36 CE 1
   ATOM 530 H . MET A 48 ? 3.98335 -8.05022 -7.64044 1.000 10.78280 H ? A ? 36 H 1
   ATOM 531 HA . MET A 48 ? 2.68577 -9.80875 -9.20679 1.000 10.54394 H ? A ? 36 HA 1
   ATOM 532 HB2 . MET A 48 ? 3.84052 -10.12578 -6.63066 1.000 12.24186 H ? A ? 36 HB2 1
   ATOM 533 HB3 . MET A 48 ? 3.23885 -11.32610 -7.48074 1.000 12.24186 H ? A ? 36 HB3 1
   ATOM 534 HG2 . MET A 48 ? 5.50943 -9.90262 -8.26908 1.000 11.77083 H ? A ? 36 HG2 1
   ATOM 535 HG3 . MET A 48 ? 5.57400 -11.28128 -7.48133 1.000 11.77083 H ? A ? 36 HG3 1
   ATOM 536 HE1 . MET A 48 ? 6.77123 -12.09569 -10.98220 1.000 17.99693 H ? A ? 36 HE1 1
   ATOM 537 HE2 . MET A 48 ? 7.07551 -10.84981 -10.04481 1.000 17.99693 H ? A ? 36 HE2 1
   ATOM 538 HE3 . MET A 48 ? 7.13541 -12.32267 -9.45270 1.000 17.99693 H ? A ? 36 HE3 1
   ATOM 539 N . ILE A 49 ? 0.63605 -10.30430 -7.81512 1.000 8.42573 N ? A ? 37 N 1
   ATOM 540 CA . ILE A 49 ? -0.60013 -10.38612 -7.05252 1.000 8.68436 C ? A ? 37 CA 1
   ATOM 541 C . ILE A 49 ? -0.26900 -10.47083 -5.58201 1.000 8.84056 C ? A ? 37 C 1
   ATOM 542 O . ILE A 49 ? 0.58010 -11.26609 -5.16493 1.000 9.18162 O ? A ? 37 O 1
   ATOM 543 CB . ILE A 49 ? -1.41245 -11.61051 -7.50070 1.000 8.80996 C ? A ? 37 CB 1
   ATOM 544 CG1 . ILE A 49 ? -1.83121 -11.45955 -8.95085 1.000 8.83018 C ? A ? 37 CG1 1
   ATOM 545 CG2 . ILE A 49 ? -2.62513 -11.77830 -6.58938 1.000 11.04454 C ? A ? 37 CG2 1
   ATOM 546 CD1 . ILE A 49 ? -2.39123 -12.76935 -9.53075 1.000 12.35238 C ? A ? 37 CD1 1
   ATOM 547 H . ILE A 49 ? 0.71855 -10.90620 -8.42382 1.000 10.12877 H ? A ? 37 H 1
   ATOM 548 HA . ILE A 49 ? -1.12497 -9.58609 -7.21190 1.000 10.43912 H ? A ? 37 HA 1
   ATOM 549 HB . ILE A 49 ? -0.86103 -12.40563 -7.43271 1.000 10.58983 H ? A ? 37 HB 1
   ATOM 550 HG12 . ILE A 49 ? -2.52124 -10.78074 -9.01386 1.000 10.61410 H ? A ? 37 HG12 1
   ATOM 551 HG13 . ILE A 49 ? -1.06052 -11.19924 -9.47923 1.000 10.61410 H ? A ? 37 HG13 1
   ATOM 552 HG21 . ILE A 49 ? -3.23678 -12.41470 -6.99160 1.000 13.27134 H ? A ? 37 HG21 1
   ATOM 553 HG22 . ILE A 49 ? -2.32830 -12.10526 -5.72573 1.000 13.27134 H ? A ? 37 HG22 1
   ATOM 554 HG23 . ILE A 49 ? -3.06308 -10.91911 -6.48510 1.000 13.27134 H ? A ? 37 HG23 1
   ATOM 555 HD11 . ILE A 49 ? -2.49806 -12.66993 -10.48971 1.000 14.84075 H ? A ? 37 HD11 1
   ATOM 556 HD12 . ILE A 49 ? -1.77058 -13.48998 -9.34001 1.000 14.84075 H ? A ? 37 HD12 1
   ATOM 557 HD13 . ILE A 49 ? -3.25002 -12.95496 -9.11973 1.000 14.84075 H ? A ? 37 HD13 1
   ATOM 558 N . GLY A 50 ? -0.94674 -9.63843 -4.78729 1.000 9.22359 N ? A ? 38 N 1
   ATOM 559 CA . GLY A 50 ? -0.70711 -9.49550 -3.36343 1.000 8.92743 C ? A ? 38 CA 1
   ATOM 560 C . GLY A 50 ? 0.19383 -8.33750 -2.97947 1.000 10.08415 C ? A ? 38 C 1
   ATOM 561 O . GLY A 50 ? 0.18877 -7.91821 -1.80462 1.000 11.52478 O ? A ? 38 O 1
   ATOM 562 H . GLY A 50 ? -1.57714 -9.12620 -5.06979 1.000 11.08620 H ? A ? 38 H 1
   ATOM 563 HA2 . GLY A 50 ? -1.55859 -9.36791 -2.91666 1.000 10.73081 H ? A ? 38 HA2 1
   ATOM 564 HA3 . GLY A 50 ? -0.29683 -10.31054 -3.03438 1.000 10.73081 H ? A ? 38 HA3 1
   ATOM 565 N . ASP A 51 ? 0.98761 -7.82394 -3.90598 1.000 8.72129 N ? A ? 39 N 1
   ATOM 566 CA . ASP A 51 ? 1.83910 -6.68021 -3.59405 1.000 9.34307 C ? A ? 39 CA 1
   ATOM 567 C . ASP A 51 ? 0.98197 -5.44328 -3.35169 1.000 8.63062 C ? A ? 39 C 1
   ATOM 568 O . ASP A 51 ? -0.08042 -5.25865 -3.95078 1.000 10.04163 O ? A ? 39 O 1
   ATOM 569 CB . ASP A 51 ? 2.79950 -6.36169 -4.74697 1.000 9.34776 C ? A ? 39 CB 1
   ATOM 570 CG . ASP A 51 ? 3.90640 -7.37653 -4.92190 1.000 8.21271 C ? A ? 39 CG 1
   ATOM 571 OD1 . ASP A 51 ? 4.07668 -8.26175 -4.06167 1.000 9.84156 O ? A ? 39 OD1 1
   ATOM 572 OD2 . ASP A 51 ? 4.62800 -7.23848 -5.91133 1.000 10.09981 O ? A ? 39 OD2 1
   ATOM 573 H . ASP A 51 ? 1.05359 -8.11283 -4.71331 1.000 10.48344 H ? A ? 39 H 1
   ATOM 574 HA . ASP A 51 ? 2.36055 -6.89491 -2.80482 1.000 11.22957 H ? A ? 39 HA 1
   ATOM 575 HB2 . ASP A 51 ? 2.29388 -6.33134 -5.57421 1.000 11.23521 H ? A ? 39 HB2 1
   ATOM 576 HB3 . ASP A 51 ? 3.21294 -5.50043 -4.57906 1.000 11.23521 H ? A ? 39 HB3 1
   ATOM 577 N . LYS A 52 ? 1.45203 -4.59862 -2.45282 1.000 9.16391 N ? A ? 40 N 1
   ATOM 578 CA . LYS A 52 ? 0.82458 -3.31083 -2.19406 1.000 8.74310 C ? A ? 40 CA 1
   ATOM 579 C . LYS A 52 ? 1.42201 -2.31687 -3.16669 1.000 9.78012 C ? A ? 40 C 1
   ATOM 580 O . LYS A 52 ? 2.64853 -2.21052 -3.28776 1.000 11.01231 O ? A ? 40 O 1
   ATOM 581 CB . LYS A 52 ? 1.07056 -2.89477 -0.73524 1.000 13.54995 C ? A ? 40 CB 1
   ATOM 582 CG . LYS A 52 ? 0.31411 -1.65256 -0.29570 1.000 18.79864 C ? A ? 40 CG 1
   ATOM 583 CD . LYS A 52 ? 0.33615 -1.47664 1.24060 1.000 23.51269 C ? A ? 40 CD 1
   ATOM 584 CE . LYS A 52 ? -0.64902 -2.40403 1.93583 1.000 39.95938 C ? A ? 40 CE 1
   ATOM 585 NZ . LYS A 52 ? -0.54898 -2.31379 3.43697 1.000 51.28574 N ? A ? 40 NZ 1
   ATOM 586 H . LYS A 52 ? 2.14681 -4.74840 -1.96863 1.000 11.01459 H ? A ? 40 H 1
   ATOM 587 HA . LYS A 52 ? -0.13626 -3.34027 -2.32377 1.000 10.50961 H ? A ? 40 HA 1
   ATOM 588 HB2 . LYS A 52 ? 0.79761 -3.62365 -0.15632 1.000 16.27783 H ? A ? 40 HB2 1
   ATOM 589 HB3 . LYS A 52 ? 2.01716 -2.71671 -0.62062 1.000 16.27783 H ? A ? 40 HB3 1
   ATOM 590 HG2 . LYS A 52 ? 0.72418 -0.87007 -0.69628 1.000 22.57626 H ? A ? 40 HG2 1
   ATOM 591 HG3 . LYS A 52 ? -0.61072 -1.72435 -0.57931 1.000 22.57626 H ? A ? 40 HG3 1
   ATOM 592 HD2 . LYS A 52 ? 1.22552 -1.67673 1.57207 1.000 28.23312 H ? A ? 40 HD2 1
   ATOM 593 HD3 . LYS A 52 ? 0.09797 -0.56245 1.46065 1.000 28.23312 H ? A ? 40 HD3 1
   ATOM 594 HE2 . LYS A 52 ? -1.55202 -2.16153 1.67758 1.000 47.96914 H ? A ? 40 HE2 1
   ATOM 595 HE3 . LYS A 52 ? -0.46386 -3.31968 1.67468 1.000 47.96914 H ? A ? 40 HE3 1
   ATOM 596 HZ1 . LYS A 52 ? -1.11914 -2.88321 3.81482 1.000 61.56077 H ? A ? 40 HZ1 1
   ATOM 597 HZ2 . LYS A 52 ? 0.27717 -2.51526 3.69964 1.000 61.56077 H ? A ? 40 HZ2 1
   ATOM 598 HZ3 . LYS A 52 ? -0.74434 -1.48821 3.70598 1.000 61.56077 H ? A ? 40 HZ3 1
   ATOM 599 N . VAL A 53 ? 0.56490 -1.59346 -3.86704 1.000 8.21558 N ? A ? 41 N 1
   ATOM 600 CA . VAL A 53 ? 0.99950 -0.64066 -4.88163 1.000 8.14686 C ? A ? 41 CA 1
   ATOM 601 C . VAL A 53 ? 0.59663 0.76425 -4.46101 1.000 8.67716 C ? A ? 41 C 1
   ATOM 602 O . VAL A 53 ? -0.41580 0.96757 -3.79270 1.000 9.80447 O ? A ? 41 O 1
   ATOM 603 CB . VAL A 53 ? 0.47729 -0.98675 -6.29414 1.000 9.71227 C ? A ? 41 CB 1
   ATOM 604 CG1 . VAL A 53 ? 0.94020 -2.38804 -6.69611 1.000 10.43726 C ? A ? 41 CG1 1
   ATOM 605 CG2 . VAL A 53 ? -1.02145 -0.87467 -6.37554 1.000 13.02568 C ? A ? 41 CG2 1
   ATOM 606 H . VAL A 53 ? -0.28895 -1.63530 -3.77329 1.000 9.87659 H ? A ? 41 H 1
   ATOM 607 HA . VAL A 53 ? 1.96826 -0.66305 -4.92506 1.000 9.79412 H ? A ? 41 HA 1
   ATOM 608 HB . VAL A 53 ? 0.84457 -0.34535 -6.92232 1.000 11.67261 H ? A ? 41 HB 1
   ATOM 609 HG11 . VAL A 53 ? 0.62529 -2.57939 -7.59340 1.000 12.54260 H ? A ? 41 HG11 1
   ATOM 610 HG12 . VAL A 53 ? 1.90939 -2.41950 -6.67196 1.000 12.54260 H ? A ? 41 HG12 1
   ATOM 611 HG13 . VAL A 53 ? 0.57265 -3.03321 -6.07196 1.000 12.54260 H ? A ? 41 HG13 1
   ATOM 612 HG21 . VAL A 53 ? -1.30563 -1.08920 -7.27782 1.000 15.64870 H ? A ? 41 HG21 1
   ATOM 613 HG22 . VAL A 53 ? -1.41928 -1.49691 -5.74669 1.000 15.64870 H ? A ? 41 HG22 1
   ATOM 614 HG23 . VAL A 53 ? -1.28281 0.03264 -6.15334 1.000 15.64870 H ? A ? 41 HG23 1
   ATOM 615 N . TYR A 54 ? 1.42334 1.72269 -4.84961 1.000 8.65868 N ? A ? 42 N 1
   ATOM 616 CA . TYR A 54 ? 1.23735 3.13845 -4.52633 1.000 8.22860 C ? A ? 42 CA 1
   ATOM 617 C . TYR A 54 ? 1.23250 3.88990 -5.85705 1.000 8.59430 C ? A ? 42 C 1
   ATOM 618 O . TYR A 54 ? 2.18704 3.78237 -6.62391 1.000 7.52041 O ? A ? 42 O 1
   ATOM 619 CB . TYR A 54 ? 2.41829 3.63660 -3.68271 1.000 9.68402 C ? A ? 42 CB 1
   ATOM 620 CG . TYR A 54 ? 2.54525 2.88535 -2.39354 1.000 11.47669 C ? A ? 42 CG 1
   ATOM 621 CD1 . TYR A 54 ? 3.10035 1.61234 -2.36261 1.000 13.42134 C ? A ? 42 CD1 1
   ATOM 622 CD2 . TYR A 54 ? 2.06687 3.42617 -1.21428 1.000 12.54337 C ? A ? 42 CD2 1
   ATOM 623 CE1 . TYR A 54 ? 3.18196 0.91108 -1.17410 1.000 17.10262 C ? A ? 42 CE1 1
   ATOM 624 CE2 . TYR A 54 ? 2.14287 2.72602 -0.02005 1.000 15.11401 C ? A ? 42 CE2 1
   ATOM 625 CZ . TYR A 54 ? 2.69689 1.48272 -0.02210 1.000 17.48087 C ? A ? 42 CZ 1
   ATOM 626 OH . TYR A 54 ? 2.77426 0.78994 1.16902 1.000 26.12146 O ? A ? 42 OH 1
   ATOM 627 H . TYR A 54 ? 2.12827 1.57697 -5.32018 1.000 10.40831 H ? A ? 42 H 1
   ATOM 628 HA . TYR A 54 ? 0.40830 3.28394 -4.04424 1.000 9.89221 H ? A ? 42 HA 1
   ATOM 629 HB2 . TYR A 54 ? 3.24004 3.51889 -4.18447 1.000 11.63871 H ? A ? 42 HB2 1
   ATOM 630 HB3 . TYR A 54 ? 2.28782 4.57511 -3.47519 1.000 11.63871 H ? A ? 42 HB3 1
   ATOM 631 HD1 . TYR A 54 ? 3.41952 1.22892 -3.14748 1.000 16.12349 H ? A ? 42 HD1 1
   ATOM 632 HD2 . TYR A 54 ? 1.68719 4.27509 -1.22237 1.000 15.06993 H ? A ? 42 HD2 1
   ATOM 633 HE1 . TYR A 54 ? 3.56085 0.06199 -1.15423 1.000 20.54103 H ? A ? 42 HE1 1
   ATOM 634 HE2 . TYR A 54 ? 1.82097 3.09930 0.76858 1.000 18.15470 H ? A ? 42 HE2 1
   ATOM 635 HH . TYR A 54 ? 2.88214 -0.02937 1.01836 1.000 31.36364 H ? A ? 42 HH 1
   ATOM 636 N A VAL A 55 ? 0.17190 4.66150 -6.09875 0.337 7.21547 N ? A ? 43 N 1
   ATOM 637 CA A VAL A 55 ? -0.00732 5.29830 -7.39849 0.337 8.34704 C ? A ? 43 CA 1
   ATOM 638 C A VAL A 55 ? -0.48109 6.73575 -7.24223 0.337 7.40982 C ? A ? 43 C 1
   ATOM 639 O A VAL A 55 ? -1.11515 7.10498 -6.25156 0.337 8.67232 O ? A ? 43 O 1
   ATOM 640 CB A VAL A 55 ? -0.99609 4.52219 -8.30659 0.337 6.84267 C ? A ? 43 CB 1
   ATOM 641 CG1 A VAL A 55 ? -0.34668 3.24419 -8.84366 0.337 3.75338 C ? A ? 43 CG1 1
   ATOM 642 CG2 A VAL A 55 ? -2.26599 4.23061 -7.58387 0.337 15.10327 C ? A ? 43 CG2 1
   ATOM 643 H A VAL A 55 ? -0.45042 4.82801 -5.52902 0.337 8.67645 H ? A ? 43 H 1
   ATOM 644 HA A VAL A 55 ? 0.86568 5.32252 -7.82059 0.337 10.03433 H ? A ? 43 HA 1
   ATOM 645 HB A VAL A 55 ? -1.22152 5.07722 -9.06949 0.337 8.22909 H ? A ? 43 HB 1
   ATOM 646 HG11 A VAL A 55 ? -1.02665 2.69970 -9.27036 0.337 4.52195 H ? A ? 43 HG11 1
   ATOM 647 HG12 A VAL A 55 ? 0.33733 3.48433 -9.48816 0.337 4.52195 H ? A ? 43 HG12 1
   ATOM 648 HG13 A VAL A 55 ? 0.05119 2.75761 -8.10485 0.337 4.52195 H ? A ? 43 HG13 1
   ATOM 649 HG21 A VAL A 55 ? -2.66984 3.43459 -7.96355 0.337 18.14182 H ? A ? 43 HG21 1
   ATOM 650 HG22 A VAL A 55 ? -2.06907 4.08602 -6.64513 0.337 18.14182 H ? A ? 43 HG22 1
   ATOM 651 HG23 A VAL A 55 ? -2.86654 4.98582 -7.68336 0.337 18.14182 H ? A ? 43 HG23 1
   ATOM 652 N B VAL A 55 ? 0.14539 4.62161 -6.13089 0.663 7.28204 N ? A ? 43 N 1
   ATOM 653 CA B VAL A 55 ? 0.02450 5.28487 -7.42582 0.663 8.46797 C ? A ? 43 CA 1
   ATOM 654 C B VAL A 55 ? -0.49816 6.70983 -7.26419 0.663 7.37460 C ? A ? 43 C 1
   ATOM 655 O B VAL A 55 ? -1.17967 7.04800 -6.29155 0.663 8.59801 O ? A ? 43 O 1
   ATOM 656 CB B VAL A 55 ? -0.81996 4.49997 -8.47903 0.663 22.01638 C ? A ? 43 CB 1
   ATOM 657 CG1 B VAL A 55 ? -0.71958 2.97664 -8.30448 0.663 9.84767 C ? A ? 43 CG1 1
   ATOM 658 CG2 B VAL A 55 ? -2.23564 4.97471 -8.52504 0.663 13.92406 C ? A ? 43 CG2 1
   ATOM 659 H B VAL A 55 ? -0.51536 4.74264 -5.59390 0.663 8.75634 H ? A ? 43 H 1
   ATOM 660 HA B VAL A 55 ? 0.92759 5.34558 -7.77458 0.663 10.17945 H ? A ? 43 HA 1
   ATOM 661 HB B VAL A 55 ? -0.43444 4.69111 -9.34836 0.663 26.43755 H ? A ? 43 HB 1
   ATOM 662 HG11 B VAL A 55 ? -1.32342 2.54663 -8.93008 0.663 11.83509 H ? A ? 43 HG11 1
   ATOM 663 HG12 B VAL A 55 ? 0.19269 2.69803 -8.48063 0.663 11.83509 H ? A ? 43 HG12 1
   ATOM 664 HG13 B VAL A 55 ? -0.96613 2.74605 -7.39512 0.663 11.83509 H ? A ? 43 HG13 1
   ATOM 665 HG21 B VAL A 55 ? -2.75027 4.37890 -9.09166 0.663 16.72676 H ? A ? 43 HG21 1
   ATOM 666 HG22 B VAL A 55 ? -2.59907 4.97185 -7.62570 0.663 16.72676 H ? A ? 43 HG22 1
   ATOM 667 HG23 B VAL A 55 ? -2.25540 5.87446 -8.88692 0.663 16.72676 H ? A ? 43 HG23 1
   ATOM 668 N . HIS A 56 ? -0.17265 7.54515 -8.24857 1.000 7.93015 N ? A ? 44 N 1
   ATOM 669 CA . HIS A 56 ? -0.89627 8.79330 -8.50538 1.000 8.98457 C ? A ? 44 CA 1
   ATOM 670 C . HIS A 56 ? -1.62223 8.58230 -9.82997 1.000 8.39529 C ? A ? 44 C 1
   ATOM 671 O . HIS A 56 ? -1.10822 7.89279 -10.71119 1.000 8.51179 O ? A ? 44 O 1
   ATOM 672 CB . HIS A 56 ? 0.01310 10.02645 -8.61224 1.000 9.51659 C ? A ? 44 CB 1
   ATOM 673 CG . HIS A 56 ? 0.52105 10.51679 -7.29208 1.000 10.17739 C ? A ? 44 CG 1
   ATOM 674 ND1 . HIS A 56 ? 1.81782 10.94270 -7.10390 1.000 17.24894 N ? A ? 44 ND1 1
   ATOM 675 CD2 . HIS A 56 ? -0.10912 10.66952 -6.10001 1.000 15.68080 C ? A ? 44 CD2 1
   ATOM 676 CE1 . HIS A 56 ? 1.97482 11.30784 -5.84447 1.000 14.76000 C ? A ? 44 CE1 1
   ATOM 677 NE2 . HIS A 56 ? 0.82706 11.15258 -5.21599 1.000 14.98971 N ? A ? 44 NE2 1
   ATOM 678 HA . HIS A 56 ? -1.50474 8.98602 -7.77495 1.000 10.79938 H ? A ? 44 HA 1
   ATOM 679 HB2 . HIS A 56 ? 0.78130 9.80104 -9.15993 1.000 11.43779 H ? A ? 44 HB2 1
   ATOM 680 HB3 . HIS A 56 ? -0.48732 10.74838 -9.02369 1.000 11.43779 H ? A ? 44 HB3 1
   ATOM 681 HD2 . HIS A 56 ? -1.00162 10.48347 -5.91636 1.000 18.83485 H ? A ? 44 HD2 1
   ATOM 682 HE1 . HIS A 56 ? 2.76347 11.62199 -5.46468 1.000 17.72988 H ? A ? 44 HE1 1
   ATOM 683 HE2 . HIS A 56 ? 0.68595 11.32572 -4.38550 1.000 18.00555 H ? A ? 44 HE2 1
   ATOM 684 H A HIS A 56 ? 0.46250 7.39329 -8.80815 0.337 9.53406 H ? A ? 44 H 1
   ATOM 685 H B HIS A 56 ? 0.47798 7.40905 -8.79424 0.663 9.53406 H ? A ? 44 H 1
   ATOM 686 N . TYR A 57 ? -2.82146 9.12284 -9.97790 1.000 7.91810 N ? A ? 45 N 1
   ATOM 687 CA . TYR A 57 ? -3.54770 8.94389 -11.23742 1.000 7.03631 C ? A ? 45 CA 1
   ATOM 688 C . TYR A 57 ? -4.52714 10.09124 -11.40744 1.000 7.53031 C ? A ? 45 C 1
   ATOM 689 O . TYR A 57 ? -4.84503 10.81052 -10.46264 1.000 8.04981 O ? A ? 45 O 1
   ATOM 690 CB . TYR A 57 ? -4.32302 7.60615 -11.30269 1.000 7.63483 C ? A ? 45 CB 1
   ATOM 691 CG . TYR A 57 ? -5.58866 7.66095 -10.48104 1.000 6.92287 C ? A ? 45 CG 1
   ATOM 692 CD1 . TYR A 57 ? -5.54292 7.44173 -9.11244 1.000 10.10762 C ? A ? 45 CD1 1
   ATOM 693 CD2 . TYR A 57 ? -6.81554 7.93684 -11.04119 1.000 7.50765 C ? A ? 45 CD2 1
   ATOM 694 CE1 . TYR A 57 ? -6.67349 7.54492 -8.33077 1.000 10.58654 C ? A ? 45 CE1 1
   ATOM 695 CE2 . TYR A 57 ? -7.96574 8.04420 -10.25438 1.000 9.64110 C ? A ? 45 CE2 1
   ATOM 696 CZ . TYR A 57 ? -7.87667 7.83427 -8.89957 1.000 11.05263 C ? A ? 45 CZ 1
   ATOM 697 OH . TYR A 57 ? -9.00829 7.93032 -8.10976 1.000 13.49435 O ? A ? 45 OH 1
   ATOM 698 H . TYR A 57 ? -3.23125 9.58754 -9.38148 1.000 9.51961 H ? A ? 45 H 1
   ATOM 699 HA . TYR A 57 ? -2.89081 8.95866 -11.95099 1.000 8.46146 H ? A ? 45 HA 1
   ATOM 700 HB2 . TYR A 57 ? -4.56403 7.41971 -12.22359 1.000 9.17968 H ? A ? 45 HB2 1
   ATOM 701 HB3 . TYR A 57 ? -3.76354 6.89389 -10.95546 1.000 9.17968 H ? A ? 45 HB3 1
   ATOM 702 HD1 . TYR A 57 ? -4.73241 7.22046 -8.71368 1.000 12.14703 H ? A ? 45 HD1 1
   ATOM 703 HD2 . TYR A 57 ? -6.88035 8.05412 -11.96148 1.000 9.02707 H ? A ? 45 HD2 1
   ATOM 704 HE1 . TYR A 57 ? -6.61450 7.41649 -7.41158 1.000 12.72174 H ? A ? 45 HE1 1
   ATOM 705 HE2 . TYR A 57 ? -8.78324 8.25565 -10.64409 1.000 11.58720 H ? A ? 45 HE2 1
   ATOM 706 HH . TYR A 57 ? -9.66866 7.60331 -8.51297 1.000 16.21111 H ? A ? 45 HH 1
   ATOM 707 N . LYS A 58 ? -5.06326 10.20069 -12.61396 1.000 6.66599 N ? A ? 46 N 1
   ATOM 708 CA . LYS A 58 ? -6.28265 10.96104 -12.85064 1.000 7.24095 C ? A ? 46 CA 1
   ATOM 709 C . LYS A 58 ? -7.05662 10.22584 -13.92618 1.000 7.87596 C ? A ? 46 C 1
   ATOM 710 O . LYS A 58 ? -6.49344 9.46883 -14.71252 1.000 8.45127 O ? A ? 46 O 1
   ATOM 711 CB . LYS A 58 ? -6.01697 12.43873 -13.19742 1.000 8.82557 C ? A ? 46 CB 1
   ATOM 712 CG . LYS A 58 ? -5.16314 12.70796 -14.41641 1.000 8.05686 C ? A ? 46 CG 1
   ATOM 713 CD . LYS A 58 ? -4.70161 14.15963 -14.33729 1.000 9.91827 C ? A ? 46 CD 1
   ATOM 714 CE . LYS A 58 ? -3.97661 14.59533 -15.54536 1.000 9.22517 C ? A ? 46 CE 1
   ATOM 715 NZ . LYS A 58 ? -3.46793 15.97980 -15.36299 1.000 9.38536 N ? A ? 46 NZ 1
   ATOM 716 H . LYS A 58 ? -4.73558 9.83897 -13.32205 1.000 8.01707 H ? A ? 46 H 1
   ATOM 717 HA . LYS A 58 ? -6.83413 11.00176 -12.05371 1.000 8.70702 H ? A ? 46 HA 1
   ATOM 718 HB2 . LYS A 58 ? -6.87241 12.86993 -13.34969 1.000 10.60857 H ? A ? 46 HB2 1
   ATOM 719 HB3 . LYS A 58 ? -5.56871 12.84873 -12.44121 1.000 10.60857 H ? A ? 46 HB3 1
   ATOM 720 HG2 . LYS A 58 ? -4.38888 12.12367 -14.42114 1.000 9.68612 H ? A ? 46 HG2 1
   ATOM 721 HG3 . LYS A 58 ? -5.68144 12.57848 -15.22604 1.000 9.68612 H ? A ? 46 HG3 1
   ATOM 722 HD2 . LYS A 58 ? -5.47690 14.73270 -14.23044 1.000 11.91981 H ? A ? 46 HD2 1
   ATOM 723 HD3 . LYS A 58 ? -4.10660 14.26148 -13.57802 1.000 11.91981 H ? A ? 46 HD3 1
   ATOM 724 HE2 . LYS A 58 ? -3.22316 14.00553 -15.70461 1.000 11.08809 H ? A ? 46 HE2 1
   ATOM 725 HE3 . LYS A 58 ? -4.57547 14.58192 -16.30830 1.000 11.08809 H ? A ? 46 HE3 1
   ATOM 726 HZ1 . LYS A 58 ? -2.67416 16.06669 -15.75605 1.000 11.28032 H ? A ? 46 HZ1 1
   ATOM 727 HZ2 . LYS A 58 ? -4.03486 16.56256 -15.72505 1.000 11.28032 H ? A ? 46 HZ2 1
   ATOM 728 HZ3 . LYS A 58 ? -3.38219 16.16084 -14.49583 1.000 11.28032 H ? A ? 46 HZ3 1
   ATOM 729 N . GLY A 59 ? -8.35997 10.41566 -13.94355 1.000 9.32618 N ? A ? 47 N 1
   ATOM 730 CA . GLY A 59 ? -9.13328 9.66946 -14.91370 1.000 11.12363 C ? A ? 47 CA 1
   ATOM 731 C . GLY A 59 ? -10.45315 10.33763 -15.18950 1.000 9.47701 C ? A ? 47 C 1
   ATOM 732 O . GLY A 59 ? -10.83855 11.30895 -14.53987 1.000 10.31551 O ? A ? 47 O 1
   ATOM 733 H . GLY A 59 ? -8.80050 10.94551 -13.42896 1.000 11.20930 H ? A ? 47 H 1
   ATOM 734 HA2 . GLY A 59 ? -8.63835 9.60557 -15.74549 1.000 13.36624 H ? A ? 47 HA2 1
   ATOM 735 HA3 . GLY A 59 ? -9.30262 8.77548 -14.57752 1.000 13.36624 H ? A ? 47 HA3 1
   ATOM 736 N . LYS A 60 ? -11.15361 9.78623 -16.16243 1.000 8.12263 N ? A ? 48 N 1
   ATOM 737 CA . LYS A 60 ? -12.40749 10.37515 -16.63841 1.000 8.19893 C ? A ? 48 CA 1
   ATOM 738 C . LYS A 60 ? -13.18264 9.34383 -17.43597 1.000 10.14672 C ? A ? 48 C 1
   ATOM 739 O . LYS A 60 ? -12.65517 8.30562 -17.83199 1.000 9.95597 O ? A ? 48 O 1
   ATOM 740 CB . LYS A 60 ? -12.13656 11.60522 -17.49421 1.000 9.70797 C ? A ? 48 CB 1
   ATOM 741 CG . LYS A 60 ? -11.17314 11.34024 -18.61878 1.000 11.19380 C ? A ? 48 CG 1
   ATOM 742 CD . LYS A 60 ? -11.17451 12.53659 -19.54013 1.000 20.39708 C ? A ? 48 CD 1
   ATOM 743 CE . LYS A 60 ? -10.20430 12.42291 -20.65793 1.000 19.53210 C ? A ? 48 CE 1
   ATOM 744 NZ . LYS A 60 ? -10.34525 13.61246 -21.56755 1.000 33.79816 N ? A ? 48 NZ 1
   ATOM 745 H . LYS A 60 ? -10.92897 9.06428 -16.57221 1.000 9.76504 H ? A ? 48 H 1
   ATOM 746 HA . LYS A 60 ? -12.94927 10.62765 -15.87446 1.000 9.85660 H ? A ? 48 HA 1
   ATOM 747 HB2 . LYS A 60 ? -12.97231 11.90902 -17.88170 1.000 11.66745 H ? A ? 48 HB2 1
   ATOM 748 HB3 . LYS A 60 ? -11.75833 12.30095 -16.93403 1.000 11.66745 H ? A ? 48 HB3 1
   ATOM 749 HG2 . LYS A 60 ? -10.27838 11.21105 -18.26718 1.000 13.45045 H ? A ? 48 HG2 1
   ATOM 750 HG3 . LYS A 60 ? -11.45043 10.55539 -19.11679 1.000 13.45045 H ? A ? 48 HG3 1
   ATOM 751 HD2 . LYS A 60 ? -12.05955 12.63553 -19.92460 1.000 24.49439 H ? A ? 48 HD2 1
   ATOM 752 HD3 . LYS A 60 ? -10.94510 13.32757 -19.02767 1.000 24.49439 H ? A ? 48 HD3 1
   ATOM 753 HE2 . LYS A 60 ? -9.30005 12.40164 -20.30753 1.000 23.45641 H ? A ? 48 HE2 1
   ATOM 754 HE3 . LYS A 60 ? -10.38198 11.61641 -21.16675 1.000 23.45641 H ? A ? 48 HE3 1
   ATOM 755 HZ1 . LYS A 60 ? -9.90037 13.47068 -22.32523 1.000 40.57568 H ? A ? 48 HZ1 1
   ATOM 756 HZ2 . LYS A 60 ? -11.20368 13.74997 -21.75804 1.000 40.57568 H ? A ? 48 HZ2 1
   ATOM 757 HZ3 . LYS A 60 ? -10.01727 14.33895 -21.17164 1.000 40.57568 H ? A ? 48 HZ3 1
   ATOM 758 N . LEU A 61 ? -14.46842 9.62779 -17.65687 1.000 11.26740 N ? A ? 49 N 1
   ATOM 759 CA . LEU A 61 ? -15.16090 8.91235 -18.71347 1.000 13.17843 C ? A ? 49 CA 1
   ATOM 760 C . LEU A 61 ? -14.49627 9.27759 -20.03775 1.000 16.29353 C ? A ? 49 C 1
   ATOM 761 O . LEU A 61 ? -13.96271 10.37915 -20.20292 1.000 19.10016 O ? A ? 49 O 1
   ATOM 762 CB . LEU A 61 ? -16.63911 9.30844 -18.74109 1.000 15.40097 C ? A ? 49 CB 1
   ATOM 763 CG . LEU A 61 ? -17.42574 9.11254 -17.45061 1.000 16.62526 C ? A ? 49 CG 1
   ATOM 764 CD1 . LEU A 61 ? -18.86763 9.57669 -17.71630 1.000 23.74874 C ? A ? 49 CD1 1
   ATOM 765 CD2 . LEU A 61 ? -17.40639 7.69377 -16.93083 1.000 16.09086 C ? A ? 49 CD2 1
   ATOM 766 H . LEU A 61 ? -14.93653 10.20566 -17.22497 1.000 13.53877 H ? A ? 49 H 1
   ATOM 767 HA . LEU A 61 ? -15.12101 7.95335 -18.57342 1.000 15.83200 H ? A ? 49 HA 1
   ATOM 768 HB2 . LEU A 61 ? -16.69258 10.25048 -18.96605 1.000 18.49905 H ? A ? 49 HB2 1
   ATOM 769 HB3 . LEU A 61 ? -17.07838 8.77866 -19.42466 1.000 18.49905 H ? A ? 49 HB3 1
   ATOM 770 HG . LEU A 61 ? -17.01058 9.63462 -16.74636 1.000 19.96820 H ? A ? 49 HG 1
   ATOM 771 HD11 . LEU A 61 ? -19.30877 9.73837 -16.86768 1.000 28.51638 H ? A ? 49 HD11 1
   ATOM 772 HD12 . LEU A 61 ? -18.84519 10.39387 -18.23842 1.000 28.51638 H ? A ? 49 HD12 1
   ATOM 773 HD13 . LEU A 61 ? -19.33719 8.88376 -18.20647 1.000 28.51638 H ? A ? 49 HD13 1
   ATOM 774 HD21 . LEU A 61 ? -18.04020 7.61628 -16.20064 1.000 19.32692 H ? A ? 49 HD21 1
   ATOM 775 HD22 . LEU A 61 ? -17.65404 7.09085 -17.64920 1.000 19.32692 H ? A ? 49 HD22 1
   ATOM 776 HD23 . LEU A 61 ? -16.51278 7.48467 -16.61676 1.000 19.32692 H ? A ? 49 HD23 1
   ATOM 777 N . SER A 62 ? -14.48268 8.34612 -20.98168 1.000 17.17887 N ? A ? 50 N 1
   ATOM 778 CA . SER A 62 ? -13.71239 8.59026 -22.19637 1.000 19.97421 C ? A ? 50 CA 1
   ATOM 779 C . SER A 62 ? -14.18936 9.83980 -22.92725 1.000 34.69535 C ? A ? 50 C 1
   ATOM 780 O . SER A 62 ? -13.39616 10.49264 -23.61719 1.000 30.80057 O ? A ? 50 O 1
   ATOM 781 CB . SER A 62 ? -13.75520 7.36510 -23.11283 1.000 29.14495 C ? A ? 50 CB 1
   ATOM 782 OG . SER A 62 ? -15.07254 7.10916 -23.55209 1.000 33.62030 O ? A ? 50 OG 1
   ATOM 783 H . SER A 62 ? -14.89442 7.59187 -20.94727 1.000 20.63253 H ? A ? 50 H 1
   ATOM 784 HA . SER A 62 ? -12.78484 8.73339 -21.95130 1.000 23.98694 H ? A ? 50 HA 1
   ATOM 785 HB2 . SER A 62 ? -13.19154 7.52907 -23.88504 1.000 34.99183 H ? A ? 50 HB2 1
   ATOM 786 HB3 . SER A 62 ? -13.43056 6.59337 -22.62299 1.000 34.99183 H ? A ? 50 HB3 1
   ATOM 787 HG . SER A 62 ? -15.54906 6.86562 -22.90462 1.000 40.36225 H ? A ? 50 HG 1
   ATOM 788 N . ASN A 63 ? -15.45781 10.20160 -22.76856 1.000 25.24650 N ? A ? 51 N 1
   ATOM 789 CA . ASN A 63 ? -16.03311 11.36924 -23.42401 1.000 43.10476 C ? A ? 51 CA 1
   ATOM 790 C . ASN A 63 ? -15.83132 12.66395 -22.63681 1.000 47.18839 C ? A ? 51 C 1
   ATOM 791 O . ASN A 63 ? -16.45809 13.67923 -22.96635 1.000 44.55724 O ? A ? 51 O 1
   ATOM 792 CB . ASN A 63 ? -17.52798 11.14888 -23.66279 1.000 41.82868 C ? A ? 51 CB 1
   ATOM 793 CG . ASN A 63 ? -18.30727 11.02643 -22.36705 1.000 48.84004 C ? A ? 51 CG 1
   ATOM 794 OD1 . ASN A 63 ? -17.84400 11.45490 -21.30784 1.000 40.41756 O ? A ? 51 OD1 1
   ATOM 795 ND2 . ASN A 63 ? -19.49244 10.43655 -22.44239 1.000 52.37340 N ? A ? 51 ND2 1
   ATOM 796 H . ASN A 63 ? -16.01822 9.77606 -22.27413 1.000 30.31369 H ? A ? 51 H 1
   ATOM 797 HA . ASN A 63 ? -15.59638 11.47686 -24.28343 1.000 51.74359 H ? A ? 51 HA 1
   ATOM 798 HB2 . ASN A 63 ? -17.88474 11.90190 -24.15935 1.000 50.21230 H ? A ? 51 HB2 1
   ATOM 799 HB3 . ASN A 63 ? -17.65168 10.32995 -24.16773 1.000 50.21230 H ? A ? 51 HB3 1
   ATOM 800 HD21 . ASN A 63 ? -19.97217 10.34341 -21.73473 1.000 62.86597 H ? A ? 51 HD21 1
   ATOM 801 HD22 . ASN A 63 ? -19.78138 10.14710 -23.19892 1.000 62.86597 H ? A ? 51 HD22 1
   ATOM 802 N . GLY A 64 ? -15.00628 12.64713 -21.59010 1.000 46.61846 N ? A ? 52 N 1
   ATOM 803 CA . GLY A 64 ? -14.58327 13.85282 -20.91641 1.000 36.47413 C ? A ? 52 CA 1
   ATOM 804 C . GLY A 64 ? -15.26737 14.13954 -19.59779 1.000 35.70115 C ? A ? 52 C 1
   ATOM 805 O . GLY A 64 ? -14.76626 14.97320 -18.83664 1.000 50.04512 O ? A ? 52 O 1
   ATOM 806 H . GLY A 64 ? -14.67613 11.92881 -21.25155 1.000 55.96004 H ? A ? 52 H 1
   ATOM 807 HA2 . GLY A 64 ? -13.63067 13.79110 -20.74428 1.000 43.78685 H ? A ? 52 HA2 1
   ATOM 808 HA3 . GLY A 64 ? -14.75004 14.60751 -21.50253 1.000 43.78685 H ? A ? 52 HA3 1
   ATOM 809 N . LYS A 65 ? -16.38561 13.48133 -19.30042 1.000 39.80521 N ? A ? 53 N 1
   ATOM 810 CA . LYS A 65 ? -17.12362 13.79351 -18.08229 1.000 42.92744 C ? A ? 53 CA 1
   ATOM 811 C . LYS A 65 ? -16.53174 13.07023 -16.86623 1.000 40.54270 C ? A ? 53 C 1
   ATOM 812 O . LYS A 65 ? -15.71566 12.15064 -16.98250 1.000 19.75962 O ? A ? 53 O 1
   ATOM 813 CB . LYS A 65 ? -18.60509 13.42936 -18.23994 1.000 49.43850 C ? A ? 53 CB 1
   ATOM 814 CG . LYS A 65 ? -19.40577 14.35968 -19.15881 1.000 63.69035 C ? A ? 53 CG 1
   ATOM 815 CD . LYS A 65 ? -19.81683 13.68212 -20.47226 1.000 66.74784 C ? A ? 53 CD 1
   ATOM 816 CE . LYS A 65 ? -20.68544 14.60681 -21.33272 1.000 72.49877 C ? A ? 53 CE 1
   ATOM 817 NZ . LYS A 65 ? -21.01947 14.02891 -22.67029 1.000 64.67896 N ? A ? 53 NZ 1
   ATOM 818 H . LYS A 65 ? -16.73210 12.85847 -19.78166 1.000 47.78414 H ? A ? 53 H 1
   ATOM 819 HA . LYS A 65 ? -17.05916 14.74697 -17.91598 1.000 51.53082 H ? A ? 53 HA 1
   ATOM 820 HB2 . LYS A 65 ? -18.66374 12.53439 -18.60938 1.000 59.34408 H ? A ? 53 HB2 1
   ATOM 821 HB3 . LYS A 65 ? -19.02248 13.45499 -17.36471 1.000 59.34408 H ? A ? 53 HB3 1
   ATOM 822 HG2 . LYS A 65 ? -20.21331 14.63990 -18.70027 1.000 76.44631 H ? A ? 53 HG2 1
   ATOM 823 HG3 . LYS A 65 ? -18.86295 15.13329 -19.37740 1.000 76.44631 H ? A ? 53 HG3 1
   ATOM 824 HD2 . LYS A 65 ? -19.02164 13.45272 -20.97817 1.000 80.11530 H ? A ? 53 HD2 1
   ATOM 825 HD3 . LYS A 65 ? -20.32697 12.88109 -20.27477 1.000 80.11530 H ? A ? 53 HD3 1
   ATOM 826 HE2 . LYS A 65 ? -21.51855 14.77881 -20.86663 1.000 87.01641 H ? A ? 53 HE2 1
   ATOM 827 HE3 . LYS A 65 ? -20.20913 15.43907 -21.47890 1.000 87.01641 H ? A ? 53 HE3 1
   ATOM 828 HZ1 . LYS A 65 ? -21.52131 14.60067 -23.13219 1.000 77.63264 H ? A ? 53 HZ1 1
   ATOM 829 HZ2 . LYS A 65 ? -20.27288 13.86601 -23.12655 1.000 77.63264 H ? A ? 53 HZ2 1
   ATOM 830 HZ3 . LYS A 65 ? -21.46827 13.26703 -22.56924 1.000 77.63264 H ? A ? 53 HZ3 1
   ATOM 831 N . LYS A 66 ? -16.93792 13.53059 -15.68043 1.000 25.49984 N ? A ? 54 N 1
   ATOM 832 CA . LYS A 66 ? -16.63826 12.86984 -14.40264 1.000 35.41176 C ? A ? 54 CA 1
   ATOM 833 C . LYS A 66 ? -15.13342 12.72685 -14.13659 1.000 28.86159 C ? A ? 54 C 1
   ATOM 834 O . LYS A 66 ? -14.63686 11.64968 -13.79550 1.000 28.10208 O ? A ? 54 O 1
   ATOM 835 CB . LYS A 66 ? -17.35214 11.51704 -14.28045 1.000 34.79663 C ? A ? 54 CB 1
   ATOM 836 CG . LYS A 66 ? -18.83717 11.53968 -14.65447 1.000 41.90987 C ? A ? 54 CG 1
   ATOM 837 CD . LYS A 66 ? -19.63597 12.45252 -13.74106 1.000 52.02260 C ? A ? 54 CD 1
   ATOM 838 CE . LYS A 66 ? -21.11279 12.48301 -14.12649 1.000 60.45858 C ? A ? 54 CE 1
   ATOM 839 NZ . LYS A 66 ? -21.78739 11.17341 -13.90232 1.000 48.05469 N ? A ? 54 NZ 1
   ATOM 840 H . LYS A 66 ? -17.40376 14.24711 -15.58453 1.000 30.61770 H ? A ? 54 H 1
   ATOM 841 HA . LYS A 66 ? -16.97987 13.45356 -13.70732 1.000 42.51201 H ? A ? 54 HA 1
   ATOM 842 HB2 . LYS A 66 ? -16.91271 10.88276 -14.86823 1.000 41.77384 H ? A ? 54 HB2 1
   ATOM 843 HB3 . LYS A 66 ? -17.28738 11.21667 -13.36040 1.000 41.77384 H ? A ? 54 HB3 1
   ATOM 844 HG2 . LYS A 66 ? -18.93310 11.86160 -15.56445 1.000 50.30973 H ? A ? 54 HG2 1
   ATOM 845 HG3 . LYS A 66 ? -19.19967 10.64307 -14.57980 1.000 50.30973 H ? A ? 54 HG3 1
   ATOM 846 HD2 . LYS A 66 ? -19.56647 12.13301 -12.82783 1.000 62.44500 H ? A ? 54 HD2 1
   ATOM 847 HD3 . LYS A 66 ? -19.28640 13.35513 -13.80425 1.000 62.44500 H ? A ? 54 HD3 1
   ATOM 848 HE2 . LYS A 66 ? -21.56711 13.15124 -13.58987 1.000 72.56818 H ? A ? 54 HE2 1
   ATOM 849 HE3 . LYS A 66 ? -21.19063 12.70434 -15.06769 1.000 72.56818 H ? A ? 54 HE3 1
   ATOM 850 HZ1 . LYS A 66 ? -21.44657 10.55815 -14.44765 1.000 57.68352 H ? A ? 54 HZ1 1
   ATOM 851 HZ2 . LYS A 66 ? -21.66928 10.91035 -13.06032 1.000 57.68352 H ? A ? 54 HZ2 1
   ATOM 852 HZ3 . LYS A 66 ? -22.65974 11.24916 -14.06159 1.000 57.68352 H ? A ? 54 HZ3 1
   ATOM 853 N . PHE A 67 ? -14.41567 13.84203 -14.21373 1.000 23.54931 N ? A ? 55 N 1
   ATOM 854 CA . PHE A 67 ? -12.97378 13.82750 -13.97018 1.000 21.34128 C ? A ? 55 CA 1
   ATOM 855 C . PHE A 67 ? -12.63039 13.60124 -12.49337 1.000 21.12179 C ? A ? 55 C 1
   ATOM 856 O . PHE A 67 ? -13.18935 14.24522 -11.60000 1.000 26.23019 O ? A ? 55 O 1
   ATOM 857 CB . PHE A 67 ? -12.41400 15.15455 -14.45770 1.000 25.39653 C ? A ? 55 CB 1
   ATOM 858 CG . PHE A 67 ? -10.98326 15.10582 -14.90954 1.000 14.11334 C ? A ? 55 CG 1
   ATOM 859 CD1 . PHE A 67 ? -9.97210 15.21687 -13.99671 1.000 21.12011 C ? A ? 55 CD1 1
   ATOM 860 CD2 . PHE A 67 ? -10.68140 14.98354 -16.23581 1.000 14.87895 C ? A ? 55 CD2 1
   ATOM 861 CE1 . PHE A 67 ? -8.67238 15.19154 -14.40824 1.000 13.94673 C ? A ? 55 CE1 1
   ATOM 862 CE2 . PHE A 67 ? -9.35916 14.97595 -16.65940 1.000 13.45672 C ? A ? 55 CE2 1
   ATOM 863 CZ . PHE A 67 ? -8.36834 15.08590 -15.74261 1.000 13.54508 C ? A ? 55 CZ 1
   ATOM 864 H . PHE A 67 ? -14.73542 14.61732 -14.40421 1.000 28.27706 H ? A ? 55 H 1
   ATOM 865 HA . PHE A 67 ? -12.56553 13.08865 -14.44804 1.000 25.62742 H ? A ? 55 HA 1
   ATOM 866 HB2 . PHE A 67 ? -12.94730 15.45605 -15.20975 1.000 30.49373 H ? A ? 55 HB2 1
   ATOM 867 HB3 . PHE A 67 ? -12.46933 15.79694 -13.73302 1.000 30.49373 H ? A ? 55 HB3 1
   ATOM 868 HD1 . PHE A 67 ? -10.17096 15.30991 -13.09299 1.000 25.36202 H ? A ? 55 HD1 1
   ATOM 869 HD2 . PHE A 67 ? -11.36648 14.90478 -16.85980 1.000 17.87263 H ? A ? 55 HD2 1
   ATOM 870 HE1 . PHE A 67 ? -7.98782 15.24616 -13.78111 1.000 16.75396 H ? A ? 55 HE1 1
   ATOM 871 HE2 . PHE A 67 ? -9.15594 14.89618 -17.56341 1.000 16.16595 H ? A ? 55 HE2 1
   ATOM 872 HZ . PHE A 67 ? -7.47999 15.08984 -16.01776 1.000 16.27198 H ? A ? 55 HZ 1
   ATOM 873 N . ASP A 68 ? -11.70855 12.66694 -12.24309 1.000 12.04802 N ? A ? 56 N 1
   ATOM 874 CA . ASP A 68 ? -11.27599 12.27275 -10.91534 1.000 11.76180 C ? A ? 56 CA 1
   ATOM 875 C . ASP A 68 ? -9.80878 12.66051 -10.76307 1.000 14.96332 C ? A ? 56 C 1
   ATOM 876 O . ASP A 68 ? -8.94382 12.08139 -11.42850 1.000 13.87154 O ? A ? 56 O 1
   ATOM 877 CB . ASP A 68 ? -11.48430 10.76633 -10.77021 1.000 13.86878 C ? A ? 56 CB 1
   ATOM 878 CG . ASP A 68 ? -10.92227 10.21257 -9.49677 1.000 16.99153 C ? A ? 56 CG 1
   ATOM 879 OD1 . ASP A 68 ? -10.56420 11.00091 -8.58903 1.000 20.67942 O ? A ? 56 OD1 1
   ATOM 880 OD2 . ASP A 68 ? -10.82537 8.97334 -9.43180 1.000 16.17600 O ? A ? 56 OD2 1
   ATOM 881 H . ASP A 68 ? -11.30361 12.22986 -12.86324 1.000 14.47552 H ? A ? 56 H 1
   ATOM 882 HA . ASP A 68 ? -11.77264 12.73796 -10.22410 1.000 14.13205 H ? A ? 56 HA 1
   ATOM 883 HB2 . ASP A 68 ? -12.43573 10.57788 -10.78281 1.000 16.66043 H ? A ? 56 HB2 1
   ATOM 884 HB3 . ASP A 68 ? -11.04705 10.31584 -11.50965 1.000 16.66043 H ? A ? 56 HB3 1
   ATOM 885 N . SER A 69 ? -9.54714 13.68324 -9.92093 1.000 15.77866 N ? A ? 57 N 1
   ATOM 886 CA . SER A 69 ? -8.20939 14.15011 -9.56147 1.000 14.50135 C ? A ? 57 CA 1
   ATOM 887 C . SER A 69 ? -7.92067 13.90141 -8.08886 1.000 14.21966 C ? A ? 57 C 1
   ATOM 888 O . SER A 69 ? -7.01515 14.50906 -7.52370 1.000 15.87543 O ? A ? 57 O 1
   ATOM 889 CB . SER A 69 ? -8.05373 15.64411 -9.85110 1.000 21.16906 C ? A ? 57 CB 1
   ATOM 890 OG . SER A 69 ? -8.22228 15.91373 -11.23707 1.000 23.91716 O ? A ? 57 OG 1
   ATOM 891 H . SER A 69 ? -10.16436 14.13808 -9.53137 1.000 18.95228 H ? A ? 57 H 1
   ATOM 892 HA . SER A 69 ? -7.56450 13.66750 -10.10193 1.000 17.41951 H ? A ? 57 HA 1
   ATOM 893 HB2 . SER A 69 ? -8.72497 16.13392 -9.35069 1.000 25.42076 H ? A ? 57 HB2 1
   ATOM 894 HB3 . SER A 69 ? -7.16621 15.92695 -9.58052 1.000 25.42076 H ? A ? 57 HB3 1
   ATOM 895 HG . SER A 69 ? -8.14080 16.73719 -11.38154 1.000 28.71848 H ? A ? 57 HG 1
   ATOM 896 N . SER A 70 ? -8.69317 13.01679 -7.45709 1.000 16.26196 N ? A ? 58 N 1
   ATOM 897 CA . SER A 70 ? -8.57436 12.78963 -6.02588 1.000 19.30885 C ? A ? 58 CA 1
   ATOM 898 C . SER A 70 ? -7.18128 12.34552 -5.61020 1.000 16.35949 C ? A ? 58 C 1
   ATOM 899 O . SER A 70 ? -6.81887 12.54332 -4.44818 1.000 16.77280 O ? A ? 58 O 1
   ATOM 900 CB . SER A 70 ? -9.59418 11.72772 -5.59744 1.000 17.25269 C ? A ? 58 CB 1
   ATOM 901 OG . SER A 70 ? -9.34067 10.48801 -6.23386 1.000 17.14096 O ? A ? 58 OG 1
   ATOM 902 H . SER A 70 ? -9.29490 12.53540 -7.83891 1.000 19.53224 H ? A ? 58 H 1
   ATOM 903 HA . SER A 70 ? -8.76503 13.62158 -5.56500 1.000 23.18850 H ? A ? 58 HA 1
   ATOM 904 HB2 . SER A 70 ? -9.53616 11.60563 -4.63691 1.000 20.72111 H ? A ? 58 HB2 1
   ATOM 905 HB3 . SER A 70 ? -10.48337 12.02974 -5.84037 1.000 20.72111 H ? A ? 58 HB3 1
   ATOM 906 HG . SER A 70 ? -9.12986 10.61516 -7.03697 1.000 20.58704 H ? A ? 58 HG 1
   ATOM 907 N . HIS A 71 ? -6.40881 11.72933 -6.51065 1.000 14.84805 N ? A ? 59 N 1
   ATOM 908 CA . HIS A 71 ? -5.07951 11.24825 -6.20397 1.000 13.22331 C ? A ? 59 CA 1
   ATOM 909 C . HIS A 71 ? -4.08821 11.68634 -7.26610 1.000 15.24485 C ? A ? 59 C 1
   ATOM 910 O . HIS A 71 ? -3.14528 10.96244 -7.56634 1.000 12.39332 O ? A ? 59 O 1
   ATOM 911 CB . HIS A 71 ? -5.07537 9.73456 -6.03703 1.000 13.86228 C ? A ? 59 CB 1
   ATOM 912 CG . HIS A 71 ? -5.99141 9.25811 -4.94429 1.000 16.94339 C ? A ? 59 CG 1
   ATOM 913 ND1 . HIS A 71 ? -7.35034 9.10248 -5.12733 1.000 19.32326 N ? A ? 59 ND1 1
   ATOM 914 CD2 . HIS A 71 ? -5.74568 8.94156 -3.65095 1.000 22.92202 C ? A ? 59 CD2 1
   ATOM 915 CE1 . HIS A 71 ? -7.89970 8.68862 -3.99697 1.000 22.20353 C ? A ? 59 CE1 1
   ATOM 916 NE2 . HIS A 71 ? -6.94692 8.57641 -3.08939 1.000 23.19626 N ? A ? 59 NE2 1
   ATOM 917 H . HIS A 71 ? -6.64772 11.57943 -7.32309 1.000 17.83554 H ? A ? 59 H 1
   ATOM 918 HA . HIS A 71 ? -4.79089 11.63295 -5.36158 1.000 15.88586 H ? A ? 59 HA 1
   ATOM 919 HB2 . HIS A 71 ? -5.36401 9.32596 -6.86807 1.000 16.65262 H ? A ? 59 HB2 1
   ATOM 920 HB3 . HIS A 71 ? -4.17548 9.44482 -5.81989 1.000 16.65262 H ? A ? 59 HB3 1
   ATOM 921 HD2 . HIS A 71 ? -4.92034 8.96637 -3.22305 1.000 27.52431 H ? A ? 59 HD2 1
   ATOM 922 HE1 . HIS A 71 ? -8.80225 8.50773 -3.86433 1.000 26.66212 H ? A ? 59 HE1 1
   ATOM 923 HE2 . HIS A 71 ? -7.05953 8.31664 -2.27733 1.000 27.85340 H ? A ? 59 HE2 1
   ATOM 924 N . ASP A 72 ? -4.29456 12.88144 -7.82549 1.000 15.89015 N ? A ? 60 N 1
   ATOM 925 CA . ASP A 72 ? -3.37047 13.43667 -8.81151 1.000 15.73451 C ? A ? 60 CA 1
   ATOM 926 C . ASP A 72 ? -2.30697 14.23057 -8.05512 1.000 18.13350 C ? A ? 60 C 1
   ATOM 927 O . ASP A 72 ? -2.40668 15.44785 -7.87477 1.000 22.07462 O ? A ? 60 O 1
   ATOM 928 CB . ASP A 72 ? -4.09246 14.33693 -9.79439 1.000 13.35379 C ? A ? 60 CB 1
   ATOM 929 CG . ASP A 72 ? -3.13406 14.98426 -10.80995 1.000 16.60076 C ? A ? 60 CG 1
   ATOM 930 OD1 . ASP A 72 ? -2.07940 14.39746 -11.07337 1.000 20.64760 O ? A ? 60 OD1 1
   ATOM 931 OD2 . ASP A 72 ? -3.42815 16.07795 -11.32284 1.000 24.78681 O ? A ? 60 OD2 1
   ATOM 932 H . ASP A 72 ? -4.96532 13.38966 -7.64830 1.000 19.08607 H ? A ? 60 H 1
   ATOM 933 HA . ASP A 72 ? -2.96156 12.70535 -9.30026 1.000 18.89930 H ? A ? 60 HA 1
   ATOM 934 HB2 . ASP A 72 ? -4.74349 13.81239 -10.28624 1.000 16.04244 H ? A ? 60 HB2 1
   ATOM 935 HB3 . ASP A 72 ? -4.53866 15.04654 -9.30628 1.000 16.04244 H ? A ? 60 HB3 1
   ATOM 936 N . ARG A 73 ? -1.27582 13.52161 -7.60626 1.000 20.03603 N ? A ? 61 N 1
   ATOM 937 CA . ARG A 73 ? -0.02449 14.06017 -7.06988 1.000 24.09944 C ? A ? 61 CA 1
   ATOM 938 C . ARG A 73 ? -0.08531 14.46045 -5.59226 1.000 34.61668 C ? A ? 61 C 1
   ATOM 939 O . ARG A 73 ? 0.94932 14.87427 -5.04983 1.000 30.82810 O ? A ? 61 O 1
   ATOM 940 CB . ARG A 73 ? 0.55781 15.20031 -7.93272 1.000 36.12128 C ? A ? 61 CB 1
   ATOM 941 CG . ARG A 73 ? 0.87742 14.77609 -9.39397 1.000 18.76758 C ? A ? 61 CG 1
   ATOM 942 CD . ARG A 73 ? 1.44250 15.94647 -10.25944 1.000 28.57473 C ? A ? 61 CD 1
   ATOM 943 NE . ARG A 73 ? 1.19475 15.78319 -11.70039 1.000 22.83488 N ? A ? 61 NE 1
   ATOM 944 CZ . ARG A 73 ? 2.03024 15.20273 -12.55328 1.000 33.24675 C ? A ? 61 CZ 1
   ATOM 945 NH1 . ARG A 73 ? 3.24514 14.81622 -12.19201 1.000 25.45520 N ? A ? 61 NH1 1
   ATOM 946 NH2 . ARG A 73 ? 1.63072 14.97989 -13.79686 1.000 23.28368 N ? A ? 61 NH2 1
   ATOM 947 H . ARG A 73 ? -1.27925 12.66162 -7.60261 1.000 24.06112 H ? A ? 61 H 1
   ATOM 948 HA . ARG A 73 ? 0.62438 13.33929 -7.08437 1.000 28.93721 H ? A ? 61 HA 1
   ATOM 949 HB2 . ARG A 73 ? -0.08608 15.92489 -7.96837 1.000 43.36342 H ? A ? 61 HB2 1
   ATOM 950 HB3 . ARG A 73 ? 1.38269 15.50919 -7.52643 1.000 43.36342 H ? A ? 61 HB3 1
   ATOM 951 HG2 . ARG A 73 ? 1.54077 14.06852 -9.37921 1.000 22.53898 H ? A ? 61 HG2 1
   ATOM 952 HG3 . ARG A 73 ? 0.06347 14.45902 -9.81569 1.000 22.53898 H ? A ? 61 HG3 1
   ATOM 953 HD2 . ARG A 73 ? 1.02328 16.77483 -9.97842 1.000 34.30756 H ? A ? 61 HD2 1
   ATOM 954 HD3 . ARG A 73 ? 2.40206 15.99886 -10.12755 1.000 34.30756 H ? A ? 61 HD3 1
   ATOM 955 HE . ARG A 73 ? 0.45340 16.08637 -12.01357 1.000 27.41974 H ? A ? 61 HE 1
   ATOM 956 HH11 . ARG A 73 ? 3.51297 14.93908 -11.38407 1.000 30.56413 H ? A ? 61 HH11 1
   ATOM 957 HH12 . ARG A 73 ? 3.76578 14.44251 -12.76549 1.000 30.56413 H ? A ? 61 HH12 1
   ATOM 958 HH21 . ARG A 73 ? 0.83937 15.21057 -14.04214 1.000 27.95830 H ? A ? 61 HH21 1
   ATOM 959 HH22 . ARG A 73 ? 2.16276 14.60458 -14.35871 1.000 27.95830 H ? A ? 61 HH22 1
   ATOM 960 N . ASN A 74 ? -1.22387 14.32949 -4.91366 1.000 25.94782 N ? A ? 62 N 1
   ATOM 961 CA . ASN A 74 ? -1.26636 14.57664 -3.47260 1.000 28.10003 C ? A ? 62 CA 1
   ATOM 962 C . ASN A 74 ? -1.00585 13.29658 -2.66973 1.000 41.14185 C ? A ? 62 C 1
   ATOM 963 O . ASN A 74 ? 0.11253 12.77075 -2.67672 1.000 31.69094 O ? A ? 62 O 1
   ATOM 964 CB . ASN A 74 ? -2.60096 15.20592 -3.06614 1.000 31.50129 C ? A ? 62 CB 1
   ATOM 965 CG . ASN A 74 ? -3.80701 14.48627 -3.66373 1.000 47.51493 C ? A ? 62 CG 1
   ATOM 966 OD1 . ASN A 74 ? -3.67209 13.47432 -4.35940 1.000 45.87048 O ? A ? 62 OD1 1
   ATOM 967 ND2 . ASN A 74 ? -4.99411 15.00113 -3.38063 1.000 39.20568 N ? A ? 62 ND2 1
   ATOM 968 H . ASN A 74 ? -1.97716 14.10124 -5.26013 1.000 31.15527 H ? A ? 62 H 1
   ATOM 969 HA . ASN A 74 ? -0.56085 15.20498 -3.25274 1.000 33.73792 H ? A ? 62 HA 1
   ATOM 970 HB2 . ASN A 74 ? -2.68281 15.17459 -2.10011 1.000 37.81943 H ? A ? 62 HB2 1
   ATOM 971 HB3 . ASN A 74 ? -2.62105 16.12651 -3.37111 1.000 37.81943 H ? A ? 62 HB3 1
   ATOM 972 HD21 . ASN A 74 ? -5.05188 15.70193 -2.88551 1.000 47.06471 H ? A ? 62 HD21 1
   ATOM 973 HD22 . ASN A 74 ? -5.70710 14.63461 -3.69194 1.000 47.06471 H ? A ? 62 HD22 1
   ATOM 974 N . GLU A 75 ? -2.02344 12.77996 -1.96908 1.000 32.45250 N ? A ? 63 N 1
   ATOM 975 CA . GLU A 75 ? -1.84540 11.54571 -1.20547 1.000 31.31875 C ? A ? 63 CA 1
   ATOM 976 C . GLU A 75 ? -1.84557 10.33825 -2.14695 1.000 18.66427 C ? A ? 63 C 1
   ATOM 977 O . GLU A 75 ? -2.66180 10.27044 -3.05986 1.000 19.00858 O ? A ? 63 O 1
   ATOM 978 CB . GLU A 75 ? -2.98866 11.37837 -0.20823 1.000 42.16873 C ? A ? 63 CB 1
   ATOM 979 CG . GLU A 75 ? -2.58558 10.66520 1.06762 1.000 50.19498 C ? A ? 63 CG 1
   ATOM 980 CD . GLU A 75 ? -1.83929 11.58905 2.01702 1.000 62.13953 C ? A ? 63 CD 1
   ATOM 981 OE1 . GLU A 75 ? -2.37886 12.67354 2.31853 1.000 65.96225 O ? A ? 63 OE1 1
   ATOM 982 OE2 . GLU A 75 ? -0.71475 11.25192 2.44881 1.000 67.69633 O ? A ? 63 OE2 1
   ATOM 983 H . GLU A 75 ? -2.81168 13.12062 -1.92198 1.000 38.96089 H ? A ? 63 H 1
   ATOM 984 HA . GLU A 75 ? -1.00105 11.57959 -0.72920 1.000 37.60039 H ? A ? 63 HA 1
   ATOM 985 HB2 . GLU A 75 ? -3.32106 12.25645 0.03548 1.000 50.62036 H ? A ? 63 HB2 1
   ATOM 986 HB3 . GLU A 75 ? -3.69436 10.86088 -0.62667 1.000 50.62036 H ? A ? 63 HB3 1
   ATOM 987 HG2 . GLU A 75 ? -3.38126 10.34300 1.51927 1.000 60.25186 H ? A ? 63 HG2 1
   ATOM 988 HG3 . GLU A 75 ? -2.00421 9.92043 0.84800 1.000 60.25186 H ? A ? 63 HG3 1
   ATOM 989 N . PRO A 76 ? -0.94382 9.37814 -1.95961 1.000 18.03110 N ? A ? 64 N 1
   ATOM 990 CA . PRO A 76 ? -0.93098 8.22447 -2.86367 1.000 16.95552 C ? A ? 64 CA 1
   ATOM 991 C . PRO A 76 ? -2.19438 7.38384 -2.74790 1.000 12.89976 C ? A ? 64 C 1
   ATOM 992 O . PRO A 76 ? -2.81449 7.25640 -1.68891 1.000 16.36925 O ? A ? 64 O 1
   ATOM 993 CB . PRO A 76 ? 0.30235 7.42832 -2.42339 1.000 18.18501 C ? A ? 64 CB 1
   ATOM 994 CG . PRO A 76 ? 1.18962 8.46254 -1.73496 1.000 40.45509 C ? A ? 64 CG 1
   ATOM 995 CD . PRO A 76 ? 0.20867 9.36637 -1.03667 1.000 32.61830 C ? A ? 64 CD 1
   ATOM 996 HA . PRO A 76 ? -0.82287 8.52124 -3.78080 1.000 20.36452 H ? A ? 64 HA 1
   ATOM 997 HB2 . PRO A 76 ? 0.04280 6.72474 -1.80816 1.000 21.83989 H ? A ? 64 HB2 1
   ATOM 998 HB3 . PRO A 76 ? 0.74580 7.04590 -3.19670 1.000 21.83989 H ? A ? 64 HB3 1
   ATOM 999 HG2 . PRO A 76 ? 1.78080 8.02847 -1.10014 1.000 48.56400 H ? A ? 64 HG2 1
   ATOM 1000 HG3 . PRO A 76 ? 1.70966 8.95000 -2.39287 1.000 48.56400 H ? A ? 64 HG3 1
   ATOM 1001 HD2 . PRO A 76 ? -0.04265 9.00372 -0.17283 1.000 39.15985 H ? A ? 64 HD2 1
   ATOM 1002 HD3 . PRO A 76 ? 0.57516 10.25791 -0.92830 1.000 39.15985 H ? A ? 64 HD3 1
   ATOM 1003 N . PHE A 77 ? -2.57689 6.82226 -3.88221 1.000 10.39285 N ? A ? 65 N 1
   ATOM 1004 CA . PHE A 77 ? -3.63775 5.83880 -3.95642 1.000 10.60280 C ? A ? 65 CA 1
   ATOM 1005 C . PHE A 77 ? -2.99172 4.48637 -3.69628 1.000 9.22788 C ? A ? 65 C 1
   ATOM 1006 O . PHE A 77 ? -1.99856 4.14752 -4.34437 1.000 9.95555 O ? A ? 65 O 1
   ATOM 1007 CB . PHE A 77 ? -4.21495 5.92391 -5.36857 1.000 11.88686 C ? A ? 65 CB 1
   ATOM 1008 CG . PHE A 77 ? -5.42025 5.08088 -5.60888 1.000 10.70725 C ? A ? 65 CG 1
   ATOM 1009 CD1 . PHE A 77 ? -6.68154 5.57566 -5.36394 1.000 11.33025 C ? A ? 65 CD1 1
   ATOM 1010 CD2 . PHE A 77 ? -5.30635 3.83298 -6.14256 1.000 11.75019 C ? A ? 65 CD2 1
   ATOM 1011 CE1 . PHE A 77 ? -7.80682 4.81864 -5.64296 1.000 13.59143 C ? A ? 65 CE1 1
   ATOM 1012 CE2 . PHE A 77 ? -6.43061 3.06170 -6.39891 1.000 11.98788 C ? A ? 65 CE2 1
   ATOM 1013 CZ . PHE A 77 ? -7.67218 3.55205 -6.13419 1.000 13.57661 C ? A ? 65 CZ 1
   ATOM 1014 H . PHE A 77 ? -2.22504 7.00104 -4.64631 1.000 12.48931 H ? A ? 65 H 1
   ATOM 1015 HA . PHE A 77 ? -4.35236 5.96814 -3.31338 1.000 12.74125 H ? A ? 65 HA 1
   ATOM 1016 HB2 . PHE A 77 ? -4.46490 6.84477 -5.54303 1.000 14.28212 H ? A ? 65 HB2 1
   ATOM 1017 HB3 . PHE A 77 ? -3.53227 5.64073 -5.99679 1.000 14.28212 H ? A ? 65 HB3 1
   ATOM 1018 HD1 . PHE A 77 ? -6.77888 6.42878 -5.00671 1.000 13.61419 H ? A ? 65 HD1 1
   ATOM 1019 HD2 . PHE A 77 ? -4.46299 3.49314 -6.33789 1.000 14.11812 H ? A ? 65 HD2 1
   ATOM 1020 HE1 . PHE A 77 ? -8.65402 5.17288 -5.49578 1.000 16.32760 H ? A ? 65 HE1 1
   ATOM 1021 HE2 . PHE A 77 ? -6.33553 2.20692 -6.75275 1.000 14.40335 H ? A ? 65 HE2 1
   ATOM 1022 HZ . PHE A 77 ? -8.42462 3.02730 -6.28706 1.000 16.30982 H ? A ? 65 HZ 1
   ATOM 1023 N . VAL A 78 ? -3.49926 3.74634 -2.71597 1.000 9.66954 N ? A ? 66 N 1
   ATOM 1024 CA . VAL A 78 ? -2.86837 2.51537 -2.24902 1.000 8.46605 C ? A ? 66 CA 1
   ATOM 1025 C . VAL A 78 ? -3.86320 1.37493 -2.33852 1.000 9.09526 C ? A ? 66 C 1
   ATOM 1026 O . VAL A 78 ? -5.01082 1.50832 -1.90022 1.000 10.80086 O ? A ? 66 O 1
   ATOM 1027 CB . VAL A 78 ? -2.37597 2.66866 -0.79308 1.000 10.21502 C ? A ? 66 CB 1
   ATOM 1028 CG1 . VAL A 78 ? -1.70227 1.39339 -0.31921 1.000 13.53157 C ? A ? 66 CG1 1
   ATOM 1029 CG2 . VAL A 78 ? -1.43009 3.86798 -0.65272 1.000 14.49945 C ? A ? 66 CG2 1
   ATOM 1030 H . VAL A 78 ? -4.22438 3.94114 -2.29660 1.000 11.62133 H ? A ? 66 H 1
   ATOM 1031 HA . VAL A 78 ? -2.12020 2.30737 -2.83029 1.000 10.17715 H ? A ? 66 HA 1
   ATOM 1032 HB . VAL A 78 ? -3.14530 2.83309 -0.22564 1.000 12.27591 H ? A ? 66 HB 1
   ATOM 1033 HG11 . VAL A 78 ? -1.22398 1.57624 0.50463 1.000 16.25577 H ? A ? 66 HG11 1
   ATOM 1034 HG12 . VAL A 78 ? -2.37996 0.71672 -0.16504 1.000 16.25577 H ? A ? 66 HG12 1
   ATOM 1035 HG13 . VAL A 78 ? -1.08245 1.09136 -1.00148 1.000 16.25577 H ? A ? 66 HG13 1
   ATOM 1036 HG21 . VAL A 78 ? -1.02686 3.85063 0.22932 1.000 17.41723 H ? A ? 66 HG21 1
   ATOM 1037 HG22 . VAL A 78 ? -0.74095 3.80794 -1.33271 1.000 17.41723 H ? A ? 66 HG22 1
   ATOM 1038 HG23 . VAL A 78 ? -1.93824 4.68613 -0.76809 1.000 17.41723 H ? A ? 66 HG23 1
   ATOM 1039 N . PHE A 79 ? -3.41991 0.24006 -2.88221 1.000 8.95378 N ? A ? 67 N 1
   ATOM 1040 CA . PHE A 79 ? -4.25072 -0.95291 -2.89027 1.000 8.72370 C ? A ? 67 CA 1
   ATOM 1041 C . PHE A 79 ? -3.36261 -2.17223 -3.05535 1.000 8.97248 C ? A ? 67 C 1
   ATOM 1042 O . PHE A 79 ? -2.18412 -2.07253 -3.41272 1.000 9.51991 O ? A ? 67 O 1
   ATOM 1043 CB . PHE A 79 ? -5.35214 -0.87923 -3.96775 1.000 11.78606 C ? A ? 67 CB 1
   ATOM 1044 CG . PHE A 79 ? -4.85746 -0.96624 -5.39562 1.000 9.84594 C ? A ? 67 CG 1
   ATOM 1045 CD1 . PHE A 79 ? -4.35352 0.14312 -6.05210 1.000 13.57289 C ? A ? 67 CD1 1
   ATOM 1046 CD2 . PHE A 79 ? -4.94326 -2.15434 -6.08408 1.000 8.66584 C ? A ? 67 CD2 1
   ATOM 1047 CE1 . PHE A 79 ? -3.92166 0.03956 -7.36753 1.000 13.21669 C ? A ? 67 CE1 1
   ATOM 1048 CE2 . PHE A 79 ? -4.50142 -2.25519 -7.37633 1.000 10.65095 C ? A ? 67 CE2 1
   ATOM 1049 CZ . PHE A 79 ? -3.99876 -1.15947 -8.01723 1.000 12.37693 C ? A ? 67 CZ 1
   ATOM 1050 H . PHE A 79 ? -2.64797 0.14123 -3.24819 1.000 10.76243 H ? A ? 67 H 1
   ATOM 1051 HA . PHE A 79 ? -4.69831 -1.04197 -2.03433 1.000 10.48633 H ? A ? 67 HA 1
   ATOM 1052 HB2 . PHE A 79 ? -5.96797 -1.61553 -3.82810 1.000 14.16115 H ? A ? 67 HB2 1
   ATOM 1053 HB3 . PHE A 79 ? -5.81854 -0.03405 -3.87270 1.000 14.16115 H ? A ? 67 HB3 1
   ATOM 1054 HD1 . PHE A 79 ? -4.30404 0.96026 -5.61082 1.000 16.30535 H ? A ? 67 HD1 1
   ATOM 1055 HD2 . PHE A 79 ? -5.30706 -2.90075 -5.66523 1.000 10.41689 H ? A ? 67 HD2 1
   ATOM 1056 HE1 . PHE A 79 ? -3.58037 0.78550 -7.80568 1.000 15.87792 H ? A ? 67 HE1 1
   ATOM 1057 HE2 . PHE A 79 ? -4.54386 -3.07223 -7.81853 1.000 12.79903 H ? A ? 67 HE2 1
   ATOM 1058 HZ . PHE A 79 ? -3.70828 -1.22961 -8.89792 1.000 14.87021 H ? A ? 67 HZ 1
   ATOM 1059 N . SER A 80 ? -3.93444 -3.32327 -2.72030 1.000 9.25754 N ? A ? 68 N 1
   ATOM 1060 CA . SER A 80 ? -3.26253 -4.60248 -2.91760 1.000 9.60677 C ? A ? 68 CA 1
   ATOM 1061 C . SER A 80 ? -3.65815 -5.15361 -4.27639 1.000 7.73143 C ? A ? 68 C 1
   ATOM 1062 O . SER A 80 ? -4.84476 -5.32348 -4.56649 1.000 9.11556 O ? A ? 68 O 1
   ATOM 1063 CB . SER A 80 ? -3.64640 -5.58920 -1.82946 1.000 10.12159 C ? A ? 68 CB 1
   ATOM 1064 OG . SER A 80 ? -3.13963 -5.15614 -0.57281 1.000 15.28921 O ? A ? 68 OG 1
   ATOM 1065 H . SER A 80 ? -4.71861 -3.39028 -2.37362 1.000 11.12694 H ? A ? 68 H 1
   ATOM 1066 HA . SER A 80 ? -2.30202 -4.47041 -2.88792 1.000 11.54601 H ? A ? 68 HA 1
   ATOM 1067 HB2 . SER A 80 ? -4.61334 -5.64793 -1.77964 1.000 12.16380 H ? A ? 68 HB2 1
   ATOM 1068 HB3 . SER A 80 ? -3.27171 -6.45846 -2.04135 1.000 12.16380 H ? A ? 68 HB3 1
   ATOM 1069 HG . SER A 80 ? -2.38068 -4.81033 -0.67283 1.000 18.36494 H ? A ? 68 HG 1
   ATOM 1070 N . LEU A 81 ? -2.65793 -5.44651 -5.09508 1.000 8.67076 N ? A ? 69 N 1
   ATOM 1071 CA . LEU A 81 ? -2.87772 -5.78389 -6.49141 1.000 8.14755 C ? A ? 69 CA 1
   ATOM 1072 C . LEU A 81 ? -3.46657 -7.18763 -6.64438 1.000 9.43761 C ? A ? 69 C 1
   ATOM 1073 O . LEU A 81 ? -3.07579 -8.13836 -5.95903 1.000 9.30279 O ? A ? 69 O 1
   ATOM 1074 CB . LEU A 81 ? -1.55388 -5.71936 -7.22683 1.000 11.19878 C ? A ? 69 CB 1
   ATOM 1075 CG . LEU A 81 ? -1.57308 -5.93169 -8.72734 1.000 10.50387 C ? A ? 69 CG 1
   ATOM 1076 CD1 . LEU A 81 ? -2.27698 -4.79090 -9.43141 1.000 10.98581 C ? A ? 69 CD1 1
   ATOM 1077 CD2 . LEU A 81 ? -0.12668 -6.10050 -9.20434 1.000 12.03070 C ? A ? 69 CD2 1
   ATOM 1078 H . LEU A 81 ? -1.82987 -5.45713 -4.86312 1.000 10.42280 H ? A ? 69 H 1
   ATOM 1079 HA . LEU A 81 ? -3.50652 -5.15449 -6.87788 1.000 9.79494 H ? A ? 69 HA 1
   ATOM 1080 HB2 . LEU A 81 ? -1.17221 -4.84098 -7.07294 1.000 13.45643 H ? A ? 69 HB2 1
   ATOM 1081 HB3 . LEU A 81 ? -0.97473 -6.40261 -6.85448 1.000 13.45643 H ? A ? 69 HB3 1
   ATOM 1082 HG . LEU A 81 ? -2.07375 -6.73062 -8.95523 1.000 12.62253 H ? A ? 69 HG 1
   ATOM 1083 HD11 . LEU A 81 ? -2.17814 -4.90233 -10.38990 1.000 13.20086 H ? A ? 69 HD11 1
   ATOM 1084 HD12 . LEU A 81 ? -3.21689 -4.80399 -9.19206 1.000 13.20086 H ? A ? 69 HD12 1
   ATOM 1085 HD13 . LEU A 81 ? -1.87633 -3.95259 -9.15280 1.000 13.20086 H ? A ? 69 HD13 1
   ATOM 1086 HD21 . LEU A 81 ? -0.13030 -6.34804 -10.14221 1.000 14.45473 H ? A ? 69 HD21 1
   ATOM 1087 HD22 . LEU A 81 ? 0.34501 -5.26128 -9.08555 1.000 14.45473 H ? A ? 69 HD22 1
   ATOM 1088 HD23 . LEU A 81 ? 0.29951 -6.79656 -8.68016 1.000 14.45473 H ? A ? 69 HD23 1
   ATOM 1089 N . GLY A 82 ? -4.41337 -7.32169 -7.56520 1.000 10.13102 N ? A ? 70 N 1
   ATOM 1090 CA . GLY A 82 ? -4.93915 -8.61413 -7.92112 1.000 11.46271 C ? A ? 70 CA 1
   ATOM 1091 C . GLY A 82 ? -5.86362 -9.18525 -6.89342 1.000 13.86637 C ? A ? 70 C 1
   ATOM 1092 O . GLY A 82 ? -6.10284 -10.39954 -6.90243 1.000 20.29194 O ? A ? 70 O 1
   ATOM 1093 H . GLY A 82 ? -4.76655 -6.66813 -7.99847 1.000 12.17511 H ? A ? 70 H 1
   ATOM 1094 HA2 . GLY A 82 ? -5.42658 -8.53793 -8.75629 1.000 13.77313 H ? A ? 70 HA2 1
   ATOM 1095 HA3 . GLY A 82 ? -4.20199 -9.23308 -8.04104 1.000 13.77313 H ? A ? 70 HA3 1
   ATOM 1096 N . LYS A 83 ? -6.39903 -8.34396 -6.00620 1.000 14.09918 N ? A ? 71 N 1
   ATOM 1097 CA . LYS A 83 ? -7.32163 -8.76323 -4.96389 1.000 14.82690 C ? A ? 71 CA 1
   ATOM 1098 C . LYS A 83 ? -8.72591 -8.21130 -5.18387 1.000 14.71418 C ? A ? 71 C 1
   ATOM 1099 O . LYS A 83 ? -9.57638 -8.34511 -4.30626 1.000 20.87661 O ? A ? 71 O 1
   ATOM 1100 CB . LYS A 83 ? -6.76954 -8.33986 -3.60141 1.000 15.58323 C ? A ? 71 CB 1
   ATOM 1101 CG . LYS A 83 ? -5.39572 -8.91340 -3.29709 1.000 24.59409 C ? A ? 71 CG 1
   ATOM 1102 CD . LYS A 83 ? -5.53799 -10.41180 -3.19808 1.000 33.97042 C ? A ? 71 CD 1
   ATOM 1103 CE . LYS A 83 ? -4.67055 -10.99359 -2.13048 1.000 45.93460 C ? A ? 71 CE 1
   ATOM 1104 NZ . LYS A 83 ? -3.59365 -11.77315 -2.82554 1.000 43.23878 N ? A ? 71 NZ 1
   ATOM 1105 H . LYS A 83 ? -6.23449 -7.49997 -5.99186 1.000 16.93691 H ? A ? 71 H 1
   ATOM 1106 HA . LYS A 83 ? -7.39639 -9.73035 -4.96313 1.000 17.81017 H ? A ? 71 HA 1
   ATOM 1107 HB2 . LYS A 83 ? -6.69890 -7.37268 -3.57976 1.000 18.71776 H ? A ? 71 HB2 1
   ATOM 1108 HB3 . LYS A 83 ? -7.37792 -8.64364 -2.90968 1.000 18.71776 H ? A ? 71 HB3 1
   ATOM 1109 HG2 . LYS A 83 ? -4.77550 -8.69633 -4.01061 1.000 29.53079 H ? A ? 71 HG2 1
   ATOM 1110 HG3 . LYS A 83 ? -5.06592 -8.56587 -2.45367 1.000 29.53079 H ? A ? 71 HG3 1
   ATOM 1111 HD2 . LYS A 83 ? -6.45980 -10.63101 -2.99043 1.000 40.78239 H ? A ? 71 HD2 1
   ATOM 1112 HD3 . LYS A 83 ? -5.28428 -10.81226 -4.04434 1.000 40.78239 H ? A ? 71 HD3 1
   ATOM 1113 HE2 . LYS A 83 ? -4.26926 -10.28892 -1.59821 1.000 55.13941 H ? A ? 71 HE2 1
   ATOM 1114 HE3 . LYS A 83 ? -5.18521 -11.58704 -1.56141 1.000 55.13941 H ? A ? 71 HE3 1
   ATOM 1115 HZ1 . LYS A 83 ? -3.09382 -12.20212 -2.22700 1.000 51.90442 H ? A ? 71 HZ1 1
   ATOM 1116 HZ2 . LYS A 83 ? -3.95728 -12.36858 -3.37811 1.000 51.90442 H ? A ? 71 HZ2 1
   ATOM 1117 HZ3 . LYS A 83 ? -3.07431 -11.22327 -3.29461 1.000 51.90442 H ? A ? 71 HZ3 1
   ATOM 1118 N . GLY A 84 ? -9.00499 -7.61151 -6.33544 1.000 14.61431 N ? A ? 72 N 1
   ATOM 1119 CA . GLY A 84 ? -10.33055 -7.06823 -6.55712 1.000 13.22453 C ? A ? 72 CA 1
   ATOM 1120 C . GLY A 84 ? -10.62141 -5.84995 -5.69702 1.000 15.17600 C ? A ? 72 C 1
   ATOM 1121 O . GLY A 84 ? -11.78206 -5.58430 -5.37060 1.000 14.73276 O ? A ? 72 O 1
   ATOM 1122 H . GLY A 84 ? -8.45417 -7.51007 -6.98806 1.000 17.55506 H ? A ? 72 H 1
   ATOM 1123 HA2 . GLY A 84 ? -10.41768 -6.81087 -7.48829 1.000 15.88732 H ? A ? 72 HA2 1
   ATOM 1124 HA3 . GLY A 84 ? -10.99161 -7.74849 -6.35430 1.000 15.88732 H ? A ? 72 HA3 1
   ATOM 1125 N . GLN A 85 ? -9.59427 -5.10666 -5.30020 1.000 10.19686 N ? A ? 73 N 1
   ATOM 1126 CA . GLN A 85 ? -9.81826 -3.84681 -4.59553 1.000 9.79417 C ? A ? 73 CA 1
   ATOM 1127 C . GLN A 85 ? -10.11335 -2.69600 -5.54330 1.000 8.53951 C ? A ? 73 C 1
   ATOM 1128 O . GLN A 85 ? -10.50243 -1.61331 -5.09368 1.000 9.20067 O ? A ? 73 O 1
   ATOM 1129 CB . GLN A 85 ? -8.59586 -3.51324 -3.74223 1.000 9.30717 C ? A ? 73 CB 1
   ATOM 1130 CG . GLN A 85 ? -8.41225 -4.53599 -2.60657 1.000 11.77107 C ? A ? 73 CG 1
   ATOM 1131 CD . GLN A 85 ? -7.28084 -4.23738 -1.67621 1.000 11.96977 C ? A ? 73 CD 1
   ATOM 1132 OE1 . GLN A 85 ? -6.62531 -3.21485 -1.76501 1.000 12.70108 O ? A ? 73 OE1 1
   ATOM 1133 NE2 . GLN A 85 ? -7.02849 -5.17347 -0.75837 1.000 17.69744 N ? A ? 73 NE2 1
   ATOM 1134 H . GLN A 85 ? -8.76714 -5.30641 -5.42486 1.000 12.25412 H ? A ? 73 H 1
   ATOM 1135 HA . GLN A 85 ? -10.57895 -3.94288 -4.00138 1.000 11.77089 H ? A ? 73 HA 1
   ATOM 1136 HB2 . GLN A 85 ? -7.80169 -3.52726 -4.29900 1.000 11.18649 H ? A ? 73 HB2 1
   ATOM 1137 HB3 . GLN A 85 ? -8.70920 -2.63423 -3.34804 1.000 11.18649 H ? A ? 73 HB3 1
   ATOM 1138 HG2 . GLN A 85 ? -9.22562 -4.56066 -2.07862 1.000 14.14317 H ? A ? 73 HG2 1
   ATOM 1139 HG3 . GLN A 85 ? -8.24513 -5.40702 -2.99935 1.000 14.14317 H ? A ? 73 HG3 1
   ATOM 1140 HE21 . GLN A 85 ? -7.50463 -5.88915 -0.73191 1.000 21.25481 H ? A ? 73 HE21 1
   ATOM 1141 HE22 . GLN A 85 ? -6.38981 -5.06079 -0.19358 1.000 21.25481 H ? A ? 73 HE22 1
   ATOM 1142 N . VAL A 86 ? -9.92429 -2.91848 -6.84794 1.000 8.19121 N ? A ? 74 N 1
   ATOM 1143 CA . VAL A 86 ? -10.14628 -1.93812 -7.89387 1.000 8.72168 C ? A ? 74 CA 1
   ATOM 1144 C . VAL A 86 ? -10.77953 -2.68706 -9.05312 1.000 8.85638 C ? A ? 74 C 1
   ATOM 1145 O . VAL A 86 ? -10.83847 -3.91471 -9.06951 1.000 9.32966 O ? A ? 74 O 1
   ATOM 1146 CB . VAL A 86 ? -8.81232 -1.30322 -8.36853 1.000 8.98633 C ? A ? 74 CB 1
   ATOM 1147 CG1 . VAL A 86 ? -8.18816 -0.41087 -7.26520 1.000 9.62550 C ? A ? 74 CG1 1
   ATOM 1148 CG2 . VAL A 86 ? -7.83274 -2.41348 -8.80330 1.000 9.03068 C ? A ? 74 CG2 1
   ATOM 1149 H . VAL A 86 ? -9.65310 -3.67271 -7.15969 1.000 9.84734 H ? A ? 74 H 1
   ATOM 1150 HA . VAL A 86 ? -10.73658 -1.23384 -7.58333 1.000 10.48390 H ? A ? 74 HA 1
   ATOM 1151 HB . VAL A 86 ? -8.98976 -0.72949 -9.13028 1.000 10.80148 H ? A ? 74 HB 1
   ATOM 1152 HG11 . VAL A 86 ? -7.37955 -0.00109 -7.61035 1.000 11.56849 H ? A ? 74 HG11 1
   ATOM 1153 HG12 . VAL A 86 ? -8.82637 0.27567 -7.01570 1.000 11.56849 H ? A ? 74 HG12 1
   ATOM 1154 HG13 . VAL A 86 ? -7.97711 -0.96183 -6.49527 1.000 11.56849 H ? A ? 74 HG13 1
   ATOM 1155 HG21 . VAL A 86 ? -6.99394 -2.00712 -9.07199 1.000 10.85470 H ? A ? 74 HG21 1
   ATOM 1156 HG22 . VAL A 86 ? -7.68486 -3.01443 -8.05638 1.000 10.85470 H ? A ? 74 HG22 1
   ATOM 1157 HG23 . VAL A 86 ? -8.21800 -2.90052 -9.54846 1.000 10.85470 H ? A ? 74 HG23 1
   ATOM 1158 N . ILE A 87 ? -11.19480 -1.92861 -10.06231 1.000 8.12546 N ? A ? 75 N 1
   ATOM 1159 CA . ILE A 87 ? -11.78197 -2.55461 -11.24528 1.000 7.86600 C ? A ? 75 CA 1
   ATOM 1160 C . ILE A 87 ? -10.76645 -3.45875 -11.93813 1.000 6.65688 C ? A ? 75 C 1
   ATOM 1161 O . ILE A 87 ? -9.54245 -3.29789 -11.83136 1.000 8.04593 O ? A ? 75 O 1
   ATOM 1162 CB . ILE A 87 ? -12.32698 -1.51410 -12.22973 1.000 7.50819 C ? A ? 75 CB 1
   ATOM 1163 CG1 . ILE A 87 ? -11.27003 -0.47814 -12.61735 1.000 8.86650 C ? A ? 75 CG1 1
   ATOM 1164 CG2 . ILE A 87 ? -13.56875 -0.84447 -11.63272 1.000 9.56182 C ? A ? 75 CG2 1
   ATOM 1165 CD1 . ILE A 87 ? -11.69039 0.41642 -13.75350 1.000 10.67979 C ? A ? 75 CD1 1
   ATOM 1166 H . ILE A 87 ? -11.15027 -1.07018 -10.08908 1.000 9.76844 H ? A ? 75 H 1
   ATOM 1167 HA . ILE A 87 ? -12.52225 -3.10629 -10.94773 1.000 9.45708 H ? A ? 75 HA 1
   ATOM 1168 HB . ILE A 87 ? -12.57311 -1.97418 -13.04744 1.000 9.02771 H ? A ? 75 HB 1
   ATOM 1169 HG12 . ILE A 87 ? -11.08740 0.08456 -11.84864 1.000 10.65769 H ? A ? 75 HG12 1
   ATOM 1170 HG13 . ILE A 87 ? -10.46240 -0.94209 -12.88824 1.000 10.65769 H ? A ? 75 HG13 1
   ATOM 1171 HG21 . ILE A 87 ? -13.98065 -0.28345 -12.30837 1.000 11.49207 H ? A ? 75 HG21 1
   ATOM 1172 HG22 . ILE A 87 ? -14.19189 -1.53123 -11.34819 1.000 11.49207 H ? A ? 75 HG22 1
   ATOM 1173 HG23 . ILE A 87 ? -13.30167 -0.30460 -10.87239 1.000 11.49207 H ? A ? 75 HG23 1
   ATOM 1174 HD11 . ILE A 87 ? -10.94589 0.98850 -13.99710 1.000 12.83364 H ? A ? 75 HD11 1
   ATOM 1175 HD12 . ILE A 87 ? -11.94641 -0.13355 -14.51039 1.000 12.83364 H ? A ? 75 HD12 1
   ATOM 1176 HD13 . ILE A 87 ? -12.44334 0.95711 -13.46778 1.000 12.83364 H ? A ? 75 HD13 1
   ATOM 1177 N . LYS A 88 ? -11.29774 -4.40313 -12.71494 1.000 7.62739 N ? A ? 76 N 1
   ATOM 1178 CA . LYS A 88 ? -10.45175 -5.40092 -13.35786 1.000 7.94683 C ? A ? 76 CA 1
   ATOM 1179 C . LYS A 88 ? -9.37083 -4.76125 -14.20936 1.000 7.11714 C ? A ? 76 C 1
   ATOM 1180 O . LYS A 88 ? -8.22342 -5.22548 -14.23359 1.000 7.98551 O ? A ? 76 O 1
   ATOM 1181 CB . LYS A 88 ? -11.30251 -6.32927 -14.21945 1.000 10.92507 C ? A ? 76 CB 1
   ATOM 1182 CG . LYS A 88 ? -12.18840 -7.27968 -13.43234 1.000 14.62718 C ? A ? 76 CG 1
   ATOM 1183 CD . LYS A 88 ? -13.01720 -8.12962 -14.41692 1.000 19.71848 C ? A ? 76 CD 1
   ATOM 1184 CE . LYS A 88 ? -13.96363 -9.09610 -13.68766 1.000 33.63862 C ? A ? 76 CE 1
   ATOM 1185 NZ . LYS A 88 ? -15.24431 -8.44219 -13.29116 1.000 47.13345 N ? A ? 76 NZ 1
   ATOM 1186 H . LYS A 88 ? -12.13699 -4.48611 -12.88335 1.000 9.17075 H ? A ? 76 H 1
   ATOM 1187 HA . LYS A 88 ? -10.02064 -5.92311 -12.66334 1.000 9.55408 H ? A ? 76 HA 1
   ATOM 1188 HB2 . LYS A 88 ? -11.87916 -5.78794 -14.78099 1.000 13.12797 H ? A ? 76 HB2 1
   ATOM 1189 HB3 . LYS A 88 ? -10.71242 -6.86684 -14.77056 1.000 13.12797 H ? A ? 76 HB3 1
   ATOM 1190 HG2 . LYS A 88 ? -11.64092 -7.86953 -12.89081 1.000 17.57050 H ? A ? 76 HG2 1
   ATOM 1191 HG3 . LYS A 88 ? -12.79289 -6.77510 -12.86587 1.000 17.57050 H ? A ? 76 HG3 1
   ATOM 1192 HD2 . LYS A 88 ? -13.55333 -7.54260 -14.97269 1.000 23.68007 H ? A ? 76 HD2 1
   ATOM 1193 HD3 . LYS A 88 ? -12.41699 -8.65352 -14.97025 1.000 23.68007 H ? A ? 76 HD3 1
   ATOM 1194 HE2 . LYS A 88 ? -14.17341 -9.83936 -14.27456 1.000 40.38423 H ? A ? 76 HE2 1
   ATOM 1195 HE3 . LYS A 88 ? -13.52902 -9.42077 -12.88354 1.000 40.38423 H ? A ? 76 HE3 1
   ATOM 1196 HZ1 . LYS A 88 ? -15.76203 -9.02345 -12.85964 1.000 56.57803 H ? A ? 76 HZ1 1
   ATOM 1197 HZ2 . LYS A 88 ? -15.07984 -7.74973 -12.75680 1.000 56.57803 H ? A ? 76 HZ2 1
   ATOM 1198 HZ3 . LYS A 88 ? -15.67511 -8.15308 -14.01429 1.000 56.57803 H ? A ? 76 HZ3 1
   ATOM 1199 N . ALA A 89 ? -9.70451 -3.69005 -14.93450 1.000 7.40500 N ? A ? 77 N 1
   ATOM 1200 CA . ALA A 89 ? -8.73145 -3.08000 -15.82106 1.000 7.14065 C ? A ? 77 CA 1
   ATOM 1201 C . ALA A 89 ? -7.48119 -2.62386 -15.07334 1.000 7.17350 C ? A ? 77 C 1
   ATOM 1202 O . ALA A 89 ? -6.38354 -2.60252 -15.65065 1.000 7.51669 O ? A ? 77 O 1
   ATOM 1203 CB . ALA A 89 ? -9.34233 -1.87119 -16.49654 1.000 7.62404 C ? A ? 77 CB 1
   ATOM 1204 H . ALA A 89 ? -10.47530 -3.30870 -14.92717 1.000 8.90389 H ? A ? 77 H 1
   ATOM 1205 HA . ALA A 89 ? -8.47997 -3.73955 -16.48639 1.000 8.58667 H ? A ? 77 HA 1
   ATOM 1206 HB1 . ALA A 89 ? -8.68069 -1.46725 -17.07960 1.000 9.16674 H ? A ? 77 HB1 1
   ATOM 1207 HB2 . ALA A 89 ? -10.11151 -2.15436 -17.01526 1.000 9.16674 H ? A ? 77 HB2 1
   ATOM 1208 HB3 . ALA A 89 ? -9.61717 -1.23528 -15.81758 1.000 9.16674 H ? A ? 77 HB3 1
   ATOM 1209 N . TRP A 90 ? -7.64752 -2.17556 -13.82516 1.000 6.77490 N ? A ? 78 N 1
   ATOM 1210 CA . TRP A 90 ? -6.49955 -1.75162 -13.01921 1.000 6.19305 C ? A ? 78 CA 1
   ATOM 1211 C . TRP A 90 ? -5.69655 -2.93860 -12.48407 1.000 7.40329 C ? A ? 78 C 1
   ATOM 1212 O . TRP A 90 ? -4.46003 -2.88488 -12.44535 1.000 7.93596 O ? A ? 78 O 1
   ATOM 1213 CB . TRP A 90 ? -6.95508 -0.86032 -11.87232 1.000 6.30250 C ? A ? 78 CB 1
   ATOM 1214 CG . TRP A 90 ? -6.98222 0.59303 -12.22360 1.000 6.67919 C ? A ? 78 CG 1
   ATOM 1215 CD1 . TRP A 90 ? -7.61839 1.17608 -13.28549 1.000 7.19025 C ? A ? 78 CD1 1
   ATOM 1216 CD2 . TRP A 90 ? -6.37120 1.65130 -11.48521 1.000 6.68966 C ? A ? 78 CD2 1
   ATOM 1217 NE1 . TRP A 90 ? -7.41031 2.53564 -13.27191 1.000 7.54493 N ? A ? 78 NE1 1
   ATOM 1218 CE2 . TRP A 90 ? -6.65485 2.85731 -12.16562 1.000 6.35710 C ? A ? 78 CE2 1
   ATOM 1219 CE3 . TRP A 90 ? -5.60885 1.69812 -10.31437 1.000 8.34950 C ? A ? 78 CE3 1
   ATOM 1220 CZ2 . TRP A 90 ? -6.19663 4.09775 -11.70231 1.000 7.95577 C ? A ? 78 CZ2 1
   ATOM 1221 CZ3 . TRP A 90 ? -5.15273 2.93067 -9.86505 1.000 8.55254 C ? A ? 78 CZ3 1
   ATOM 1222 CH2 . TRP A 90 ? -5.44302 4.10946 -10.55867 1.000 8.47324 C ? A ? 78 CH2 1
   ATOM 1223 H . TRP A 90 ? -8.40613 -2.10768 -13.42578 1.000 8.14777 H ? A ? 78 H 1
   ATOM 1224 HA . TRP A 90 ? -5.91094 -1.23108 -13.58796 1.000 7.44955 H ? A ? 78 HA 1
   ATOM 1225 HB2 . TRP A 90 ? -7.85245 -1.12000 -11.61118 1.000 7.58088 H ? A ? 78 HB2 1
   ATOM 1226 HB3 . TRP A 90 ? -6.34620 -0.97459 -11.12593 1.000 7.58088 H ? A ? 78 HB3 1
   ATOM 1227 HD1 . TRP A 90 ? -8.11839 0.71979 -13.92322 1.000 8.64619 H ? A ? 78 HD1 1
   ATOM 1228 HE1 . TRP A 90 ? -7.70348 3.09307 -13.85750 1.000 9.07180 H ? A ? 78 HE1 1
   ATOM 1229 HE3 . TRP A 90 ? -5.41106 0.91958 -9.84570 1.000 10.03728 H ? A ? 78 HE3 1
   ATOM 1230 HZ2 . TRP A 90 ? -6.39704 4.88495 -12.15513 1.000 9.56481 H ? A ? 78 HZ2 1
   ATOM 1231 HZ3 . TRP A 90 ? -4.64422 2.97272 -9.08753 1.000 10.28094 H ? A ? 78 HZ3 1
   ATOM 1232 HH2 . TRP A 90 ? -5.11741 4.91887 -10.23658 1.000 10.18578 H ? A ? 78 HH2 1
   ATOM 1233 N . ASP A 91 ? -6.35902 -4.01783 -12.05288 1.000 6.92046 N ? A ? 79 N 1
   ATOM 1234 CA . ASP A 91 ? -5.60846 -5.20126 -11.63957 1.000 7.65826 C ? A ? 79 CA 1
   ATOM 1235 C . ASP A 91 ? -4.79175 -5.74078 -12.80327 1.000 9.31675 C ? A ? 79 C 1
   ATOM 1236 O . ASP A 91 ? -3.68627 -6.26531 -12.60581 1.000 9.05918 O ? A ? 79 O 1
   ATOM 1237 CB . ASP A 91 ? -6.54871 -6.27893 -11.07608 1.000 9.19328 C ? A ? 79 CB 1
   ATOM 1238 CG . ASP A 91 ? -6.79313 -6.14882 -9.55927 1.000 9.27155 C ? A ? 79 CG 1
   ATOM 1239 OD1 . ASP A 91 ? -6.05974 -5.41796 -8.87794 1.000 9.67037 O ? A ? 79 OD1 1
   ATOM 1240 OD2 . ASP A 91 ? -7.78253 -6.76114 -9.07778 1.000 12.18480 O ? A ? 79 OD2 1
   ATOM 1241 H . ASP A 91 ? -7.21420 -4.08607 -11.99285 1.000 8.32244 H ? A ? 79 H 1
   ATOM 1242 HA . ASP A 91 ? -5.00331 -4.96270 -10.92000 1.000 9.20780 H ? A ? 79 HA 1
   ATOM 1243 HB2 . ASP A 91 ? -7.40731 -6.20996 -11.52212 1.000 11.04983 H ? A ? 79 HB2 1
   ATOM 1244 HB3 . ASP A 91 ? -6.15879 -7.15182 -11.24014 1.000 11.04983 H ? A ? 79 HB3 1
   ATOM 1245 N . ILE A 92 ? -5.32575 -5.63287 -14.02345 1.000 8.22668 N ? A ? 80 N 1
   ATOM 1246 CA . ILE A 92 ? -4.59179 -6.04299 -15.21930 1.000 9.39711 C ? A ? 80 CA 1
   ATOM 1247 C . ILE A 92 ? -3.49934 -5.02828 -15.56250 1.000 8.24458 C ? A ? 80 C 1
   ATOM 1248 O . ILE A 92 ? -2.33420 -5.39085 -15.79133 1.000 8.85679 O ? A ? 80 O 1
   ATOM 1249 CB . ILE A 92 ? -5.58548 -6.20546 -16.38653 1.000 10.70037 C ? A ? 80 CB 1
   ATOM 1250 CG1 . ILE A 92 ? -6.57437 -7.34695 -16.13475 1.000 9.50087 C ? A ? 80 CG1 1
   ATOM 1251 CG2 . ILE A 92 ? -4.82677 -6.33227 -17.71246 1.000 12.10515 C ? A ? 80 CG2 1
   ATOM 1252 CD1 . ILE A 92 ? -7.81581 -7.26326 -17.03366 1.000 9.81747 C ? A ? 80 CD1 1
   ATOM 1253 H . ILE A 92 ? -6.11229 -5.32488 -14.18501 1.000 9.88991 H ? A ? 80 H 1
   ATOM 1254 HA . ILE A 92 ? -4.15577 -6.89218 -15.04705 1.000 11.29441 H ? A ? 80 HA 1
   ATOM 1255 HB . ILE A 92 ? -6.13062 -5.40534 -16.44604 1.000 12.85833 H ? A ? 80 HB 1
   ATOM 1256 HG12 . ILE A 92 ? -6.13249 -8.19243 -16.31027 1.000 11.41893 H ? A ? 80 HG12 1
   ATOM 1257 HG13 . ILE A 92 ? -6.86895 -7.31201 -15.21122 1.000 11.41893 H ? A ? 80 HG13 1
   ATOM 1258 HG21 . ILE A 92 ? -5.43657 -6.65143 -18.39597 1.000 14.54407 H ? A ? 80 HG21 1
   ATOM 1259 HG22 . ILE A 92 ? -4.47753 -5.46210 -17.96095 1.000 14.54407 H ? A ? 80 HG22 1
   ATOM 1260 HG23 . ILE A 92 ? -4.09730 -6.96164 -17.59996 1.000 14.54407 H ? A ? 80 HG23 1
   ATOM 1261 HD11 . ILE A 92 ? -8.46201 -7.92533 -16.74212 1.000 11.79886 H ? A ? 80 HD11 1
   ATOM 1262 HD12 . ILE A 92 ? -8.19782 -6.37449 -16.96260 1.000 11.79886 H ? A ? 80 HD12 1
   ATOM 1263 HD13 . ILE A 92 ? -7.55382 -7.43832 -17.95105 1.000 11.79886 H ? A ? 80 HD13 1
   ATOM 1264 N . GLY A 93 ? -3.85221 -3.75377 -15.63620 1.000 7.87154 N ? A ? 81 N 1
   ATOM 1265 CA . GLY A 93 ? -2.93895 -2.75443 -16.15729 1.000 7.83587 C ? A ? 81 CA 1
   ATOM 1266 C . GLY A 93 ? -1.82894 -2.35203 -15.20866 1.000 5.86180 C ? A ? 81 C 1
   ATOM 1267 O . GLY A 93 ? -0.67358 -2.22622 -15.62249 1.000 6.63605 O ? A ? 81 O 1
   ATOM 1268 H . GLY A 93 ? -4.61564 -3.44337 -15.39037 1.000 9.46374 H ? A ? 81 H 1
   ATOM 1269 HA2 . GLY A 93 ? -2.52693 -3.09992 -16.96461 1.000 9.42093 H ? A ? 81 HA2 1
   ATOM 1270 HA3 . GLY A 93 ? -3.44369 -1.95583 -16.37721 1.000 9.42093 H ? A ? 81 HA3 1
   ATOM 1271 N . VAL A 94 ? -2.13430 -2.13165 -13.92969 1.000 6.36210 N ? A ? 82 N 1
   ATOM 1272 CA . VAL A 94 ? -1.08196 -1.71541 -13.00429 1.000 6.55847 C ? A ? 82 CA 1
   ATOM 1273 C . VAL A 94 ? -0.04626 -2.83209 -12.84279 1.000 6.59250 C ? A ? 82 C 1
   ATOM 1274 O . VAL A 94 ? 1.15437 -2.55391 -12.68367 1.000 7.81812 O ? A ? 82 O 1
   ATOM 1275 CB . VAL A 94 ? -1.69789 -1.26304 -11.67074 1.000 8.51023 C ? A ? 82 CB 1
   ATOM 1276 CG1 . VAL A 94 ? -0.59402 -0.94935 -10.67584 1.000 8.99030 C ? A ? 82 CG1 1
   ATOM 1277 CG2 . VAL A 94 ? -2.57385 -0.04635 -11.89807 1.000 9.74060 C ? A ? 82 CG2 1
   ATOM 1278 H . VAL A 94 ? -2.91731 -2.21324 -13.58352 1.000 7.65240 H ? A ? 82 H 1
   ATOM 1279 HA . VAL A 94 ? -0.61513 -0.94725 -13.36884 1.000 7.88805 H ? A ? 82 HA 1
   ATOM 1280 HB . VAL A 94 ? -2.24816 -1.97263 -11.30387 1.000 10.23017 H ? A ? 82 HB 1
   ATOM 1281 HG11 . VAL A 94 ? -0.99083 -0.59141 -9.86632 1.000 10.80625 H ? A ? 82 HG11 1
   ATOM 1282 HG12 . VAL A 94 ? -0.10958 -1.76513 -10.47403 1.000 10.80625 H ? A ? 82 HG12 1
   ATOM 1283 HG13 . VAL A 94 ? 0.00694 -0.29583 -11.06658 1.000 10.80625 H ? A ? 82 HG13 1
   ATOM 1284 HG21 . VAL A 94 ? -2.88621 0.28255 -11.04066 1.000 11.70661 H ? A ? 82 HG21 1
   ATOM 1285 HG22 . VAL A 94 ? -2.05281 0.63880 -12.34528 1.000 11.70661 H ? A ? 82 HG22 1
   ATOM 1286 HG23 . VAL A 94 ? -3.32982 -0.30021 -12.45031 1.000 11.70661 H ? A ? 82 HG23 1
   ATOM 1287 N . ALA A 95 ? -0.47024 -4.08702 -12.98449 1.000 6.42047 N ? A ? 83 N 1
   ATOM 1288 CA . ALA A 95 ? 0.43190 -5.22572 -12.87235 1.000 7.39611 C ? A ? 83 CA 1
   ATOM 1289 C . ALA A 95 ? 1.53259 -5.18012 -13.90678 1.000 7.96689 C ? A ? 83 C 1
   ATOM 1290 O . ALA A 95 ? 2.59337 -5.77619 -13.69451 1.000 9.37253 O ? A ? 83 O 1
   ATOM 1291 CB . ALA A 95 ? -0.35584 -6.52330 -13.04285 1.000 9.13695 C ? A ? 83 CB 1
   ATOM 1292 H . ALA A 95 ? -1.28520 -4.30777 -13.14792 1.000 7.72246 H ? A ? 83 H 1
   ATOM 1293 HA . ALA A 95 ? 0.83696 -5.20745 -11.99117 1.000 8.89322 H ? A ? 83 HA 1
   ATOM 1294 HB1 . ALA A 95 ? 0.25384 -7.27445 -12.97243 1.000 10.98223 H ? A ? 83 HB1 1
   ATOM 1295 HB2 . ALA A 95 ? -1.02939 -6.57761 -12.34694 1.000 10.98223 H ? A ? 83 HB2 1
   ATOM 1296 HB3 . ALA A 95 ? -0.78056 -6.52264 -13.91493 1.000 10.98223 H ? A ? 83 HB3 1
   ATOM 1297 N . THR A 96 ? 1.29913 -4.52148 -15.04515 1.000 7.02568 N ? A ? 84 N 1
   ATOM 1298 CA . THR A 96 ? 2.28369 -4.48638 -16.11239 1.000 7.59107 C ? A ? 84 CA 1
   ATOM 1299 C . THR A 96 ? 3.27710 -3.33857 -15.98897 1.000 8.30912 C ? A ? 84 C 1
   ATOM 1300 O . THR A 96 ? 4.16628 -3.21625 -16.85347 1.000 10.67674 O ? A ? 84 O 1
   ATOM 1301 CB . THR A 96 ? 1.60748 -4.34634 -17.48419 1.000 7.73560 C ? A ? 84 CB 1
   ATOM 1302 OG1 . THR A 96 ? 1.04761 -3.01307 -17.62891 1.000 8.12055 O ? A ? 84 OG1 1
   ATOM 1303 CG2 . THR A 96 ? 0.55376 -5.40824 -17.73380 1.000 8.55909 C ? A ? 84 CG2 1
   ATOM 1304 H . THR A 96 ? 0.57569 -4.08921 -15.21655 1.000 8.44870 H ? A ? 84 H 1
   ATOM 1305 HA . THR A 96 ? 2.76001 -5.33052 -16.07434 1.000 9.12717 H ? A ? 84 HA 1
   ATOM 1306 HB . THR A 96 ? 2.28139 -4.48029 -18.16888 1.000 9.30060 H ? A ? 84 HB 1
   ATOM 1307 HG1 . THR A 96 ? 0.25632 -3.00162 -17.34724 1.000 9.76255 H ? A ? 84 HG1 1
   ATOM 1308 HG21 . THR A 96 ? 0.23186 -5.34804 -18.64685 1.000 10.28880 H ? A ? 84 HG21 1
   ATOM 1309 HG22 . THR A 96 ? 0.93118 -6.29025 -17.59058 1.000 10.28880 H ? A ? 84 HG22 1
   ATOM 1310 HG23 . THR A 96 ? -0.19324 -5.28328 -17.12777 1.000 10.28880 H ? A ? 84 HG23 1
   ATOM 1311 N . MET A 97 ? 3.15214 -2.51607 -14.96516 1.000 7.52928 N ? A ? 85 N 1
   ATOM 1312 CA . MET A 97 ? 3.90625 -1.27778 -14.85975 1.000 7.59657 C ? A ? 85 CA 1
   ATOM 1313 C . MET A 97 ? 5.17106 -1.45420 -14.03114 1.000 8.11818 C ? A ? 85 C 1
   ATOM 1314 O . MET A 97 ? 5.18249 -2.16586 -13.03388 1.000 7.53802 O ? A ? 85 O 1
   ATOM 1315 CB . MET A 97 ? 3.05461 -0.19423 -14.19852 1.000 6.06583 C ? A ? 85 CB 1
   ATOM 1316 CG . MET A 97 ? 1.82854 0.21331 -15.01804 1.000 5.74628 C ? A ? 85 CG 1
   ATOM 1317 SD . MET A 97 ? 0.88842 1.53210 -14.25709 1.000 6.99669 S ? A ? 85 SD 1
   ATOM 1318 CE . MET A 97 ? 2.03475 2.92895 -14.58050 1.000 8.36936 C ? A ? 85 CE 1
   ATOM 1319 H . MET A 97 ? 2.62397 -2.65478 -14.30079 1.000 9.05302 H ? A ? 85 H 1
   ATOM 1320 HA . MET A 97 ? 4.15534 -1.00788 -15.75753 1.000 9.13377 H ? A ? 85 HA 1
   ATOM 1321 HB2 . MET A 97 ? 2.74163 -0.52360 -13.34152 1.000 7.29688 H ? A ? 85 HB2 1
   ATOM 1322 HB3 . MET A 97 ? 3.60121 0.59679 -14.07039 1.000 7.29688 H ? A ? 85 HB3 1
   ATOM 1323 HG2 . MET A 97 ? 2.12016 0.51898 -15.89121 1.000 6.91342 H ? A ? 85 HG2 1
   ATOM 1324 HG3 . MET A 97 ? 1.24360 -0.55455 -15.11364 1.000 6.91342 H ? A ? 85 HG3 1
   ATOM 1325 HE1 . MET A 97 ? 1.65315 3.74197 -14.21406 1.000 10.06111 H ? A ? 85 HE1 1
   ATOM 1326 HE2 . MET A 97 ? 2.88688 2.74294 -14.15604 1.000 10.06111 H ? A ? 85 HE2 1
   ATOM 1327 HE3 . MET A 97 ? 2.15583 3.02284 -15.53833 1.000 10.06111 H ? A ? 85 HE3 1
   ATOM 1328 N . LYS A 98 ? 6.22134 -0.73896 -14.43561 1.000 8.86423 N ? A ? 86 N 1
   ATOM 1329 CA . LYS A 98 ? 7.44780 -0.62599 -13.65819 1.000 9.26271 C ? A ? 86 CA 1
   ATOM 1330 C . LYS A 98 ? 7.37441 0.56369 -12.71550 1.000 8.15278 C ? A ? 86 C 1
   ATOM 1331 O . LYS A 98 ? 6.59858 1.50242 -12.91186 1.000 8.50240 O ? A ? 86 O 1
   ATOM 1332 CB . LYS A 98 ? 8.62219 -0.45901 -14.61326 1.000 8.93463 C ? A ? 86 CB 1
   ATOM 1333 CG . LYS A 98 ? 8.84804 -1.64881 -15.50249 1.000 10.87742 C ? A ? 86 CG 1
   ATOM 1334 CD . LYS A 98 ? 9.95770 -1.36179 -16.49420 1.000 14.47457 C ? A ? 86 CD 1
   ATOM 1335 CE . LYS A 98 ? 10.14891 -2.50965 -17.47542 1.000 18.76843 C ? A ? 86 CE 1
   ATOM 1336 NZ . LYS A 98 ? 9.06632 -2.62022 -18.51582 1.000 25.13046 N ? A ? 86 NZ 1
   ATOM 1337 H . LYS A 98 ? 6.24538 -0.30058 -15.17510 1.000 10.65497 H ? A ? 86 H 1
   ATOM 1338 HA . LYS A 98 ? 7.58066 -1.42184 -13.11979 1.000 11.13314 H ? A ? 86 HA 1
   ATOM 1339 HB2 . LYS A 98 ? 8.45578 0.30911 -15.18176 1.000 10.73944 H ? A ? 86 HB2 1
   ATOM 1340 HB3 . LYS A 98 ? 9.42955 -0.31888 -14.09418 1.000 10.73944 H ? A ? 86 HB3 1
   ATOM 1341 HG2 . LYS A 98 ? 9.10401 -2.41399 -14.96408 1.000 13.07079 H ? A ? 86 HG2 1
   ATOM 1342 HG3 . LYS A 98 ? 8.03597 -1.84635 -15.99485 1.000 13.07079 H ? A ? 86 HG3 1
   ATOM 1343 HD2 . LYS A 98 ? 9.73704 -0.56380 -16.99959 1.000 17.38737 H ? A ? 86 HD2 1
   ATOM 1344 HD3 . LYS A 98 ? 10.79031 -1.23077 -16.01410 1.000 17.38737 H ? A ? 86 HD3 1
   ATOM 1345 HE2 . LYS A 98 ? 10.99088 -2.38386 -17.94035 1.000 22.54000 H ? A ? 86 HE2 1
   ATOM 1346 HE3 . LYS A 98 ? 10.16519 -3.34298 -16.97924 1.000 22.54000 H ? A ? 86 HE3 1
   ATOM 1347 HZ1 . LYS A 98 ? 9.20618 -3.33611 -19.02576 1.000 30.17443 H ? A ? 86 HZ1 1
   ATOM 1348 HZ2 . LYS A 98 ? 8.27206 -2.69706 -18.12167 1.000 30.17443 H ? A ? 86 HZ2 1
   ATOM 1349 HZ3 . LYS A 98 ? 9.06407 -1.89455 -19.03108 1.000 30.17443 H ? A ? 86 HZ3 1
   ATOM 1350 N . LYS A 99 ? 8.19402 0.53725 -11.66544 1.000 8.69554 N ? A ? 87 N 1
   ATOM 1351 CA . LYS A 99 ? 8.25677 1.68063 -10.76816 1.000 8.32866 C ? A ? 87 CA 1
   ATOM 1352 C . LYS A 99 ? 8.72199 2.90700 -11.54656 1.000 9.67077 C ? A ? 87 C 1
   ATOM 1353 O . LYS A 99 ? 9.69601 2.84828 -12.29459 1.000 11.52789 O ? A ? 87 O 1
   ATOM 1354 CB . LYS A 99 ? 9.22117 1.36030 -9.61796 1.000 13.10887 C ? A ? 87 CB 1
   ATOM 1355 CG . LYS A 99 ? 8.79297 0.20178 -8.70823 1.000 14.09021 C ? A ? 87 CG 1
   ATOM 1356 CD . LYS A 99 ? 9.67297 0.10463 -7.46720 1.000 19.68390 C ? A ? 87 CD 1
   ATOM 1357 CE . LYS A 99 ? 9.42559 -1.16882 -6.63919 1.000 16.83635 C ? A ? 87 CE 1
   ATOM 1358 NZ . LYS A 99 ? 10.20800 -1.01331 -5.37392 1.000 23.45139 N ? A ? 87 NZ 1
   ATOM 1359 H . LYS A 99 ? 8.71141 -0.11753 -11.45766 1.000 10.45253 H ? A ? 87 H 1
   ATOM 1360 HA . LYS A 99 ? 7.38569 1.87401 -10.38772 1.000 10.01228 H ? A ? 87 HA 1
   ATOM 1361 HB2 . LYS A 99 ? 10.08309 1.12755 -9.99720 1.000 15.74853 H ? A ? 87 HB2 1
   ATOM 1362 HB3 . LYS A 99 ? 9.30609 2.14990 -9.06099 1.000 15.74853 H ? A ? 87 HB3 1
   ATOM 1363 HG2 . LYS A 99 ? 7.87697 0.34131 -8.42121 1.000 16.92614 H ? A ? 87 HG2 1
   ATOM 1364 HG3 . LYS A 99 ? 8.86390 -0.63289 -9.19730 1.000 16.92614 H ? A ? 87 HG3 1
   ATOM 1365 HD2 . LYS A 99 ? 10.60338 0.10396 -7.74149 1.000 23.63856 H ? A ? 87 HD2 1
   ATOM 1366 HD3 . LYS A 99 ? 9.49593 0.86862 -6.89634 1.000 23.63856 H ? A ? 87 HD3 1
   ATOM 1367 HE2 . LYS A 99 ? 8.48287 -1.26011 -6.42980 1.000 20.22151 H ? A ? 87 HE2 1
   ATOM 1368 HE3 . LYS A 99 ? 9.73608 -1.95214 -7.11971 1.000 20.22151 H ? A ? 87 HE3 1
   ATOM 1369 HZ1 . LYS A 99 ? 9.84396 -1.50612 -4.72839 1.000 28.15955 H ? A ? 87 HZ1 1
   ATOM 1370 HZ2 . LYS A 99 ? 11.04801 -1.27856 -5.50092 1.000 28.15955 H ? A ? 87 HZ2 1
   ATOM 1371 HZ3 . LYS A 99 ? 10.20972 -0.16031 -5.11998 1.000 28.15955 H ? A ? 87 HZ3 1
   ATOM 1372 N . GLY A 100 ? 8.00632 4.01630 -11.36885 1.000 7.80583 N ? A ? 88 N 1
   ATOM 1373 CA . GLY A 100 ? 8.27797 5.25009 -12.07982 1.000 11.69772 C ? A ? 88 CA 1
   ATOM 1374 C . GLY A 100 ? 7.58732 5.38245 -13.42482 1.000 9.10955 C ? A ? 88 C 1
   ATOM 1375 O . GLY A 100 ? 7.65912 6.45119 -14.04112 1.000 10.18362 O ? A ? 88 O 1
   ATOM 1376 H . GLY A 100 ? 7.34180 4.07493 -10.82611 1.000 9.38488 H ? A ? 88 H 1
   ATOM 1377 HA2 . GLY A 100 ? 7.99335 5.99499 -11.52753 1.000 14.05516 H ? A ? 88 HA2 1
   ATOM 1378 HA3 . GLY A 100 ? 9.23378 5.31636 -12.23126 1.000 14.05516 H ? A ? 88 HA3 1
   ATOM 1379 N . GLU A 101 ? 6.91978 4.33910 -13.89775 1.000 7.96719 N ? A ? 89 N 1
   ATOM 1380 CA . GLU A 101 ? 6.25533 4.38397 -15.18559 1.000 7.10001 C ? A ? 89 CA 1
   ATOM 1381 C . GLU A 101 ? 4.99136 5.22563 -15.10580 1.000 6.41739 C ? A ? 89 C 1
   ATOM 1382 O . GLU A 101 ? 4.29608 5.25085 -14.08561 1.000 7.16014 O ? A ? 89 O 1
   ATOM 1383 CB . GLU A 101 ? 5.90282 2.95879 -15.63422 1.000 7.38566 C ? A ? 89 CB 1
   ATOM 1384 CG . GLU A 101 ? 5.19752 2.84539 -16.93480 1.000 7.62596 C ? A ? 89 CG 1
   ATOM 1385 CD . GLU A 101 ? 4.85283 1.40596 -17.25904 1.000 9.55543 C ? A ? 89 CD 1
   ATOM 1386 OE1 . GLU A 101 ? 5.76346 0.53264 -17.11125 1.000 8.60393 O ? A ? 89 OE1 1
   ATOM 1387 OE2 . GLU A 101 ? 3.70635 1.16752 -17.69986 1.000 8.34049 O ? A ? 89 OE2 1
   ATOM 1388 H . GLU A 101 ? 6.83701 3.58788 -13.48736 1.000 9.57852 H ? A ? 89 H 1
   ATOM 1389 HA . GLU A 101 ? 6.84515 4.78353 -15.84389 1.000 8.53790 H ? A ? 89 HA 1
   ATOM 1390 HB2 . GLU A 101 ? 6.72629 2.45163 -15.70900 1.000 8.88068 H ? A ? 89 HB2 1
   ATOM 1391 HB3 . GLU A 101 ? 5.32868 2.56177 -14.96069 1.000 8.88068 H ? A ? 89 HB3 1
   ATOM 1392 HG2 . GLU A 101 ? 4.37319 3.35530 -16.89789 1.000 9.16904 H ? A ? 89 HG2 1
   ATOM 1393 HG3 . GLU A 101 ? 5.76848 3.18834 -17.63998 1.000 9.16904 H ? A ? 89 HG3 1
   ATOM 1394 N . ILE A 102 ? 4.69605 5.92821 -16.19130 1.000 7.24009 N ? A ? 90 N 1
   ATOM 1395 CA . ILE A 102 ? 3.38133 6.53368 -16.38085 1.000 6.71758 C ? A ? 90 CA 1
   ATOM 1396 C . ILE A 102 ? 2.79771 5.91269 -17.63066 1.000 6.74455 C ? A ? 90 C 1
   ATOM 1397 O . ILE A 102 ? 3.45893 5.80979 -18.66315 1.000 8.47400 O ? A ? 90 O 1
   ATOM 1398 CB . ILE A 102 ? 3.45986 8.06647 -16.54522 1.000 8.06138 C ? A ? 90 CB 1
   ATOM 1399 CG1 . ILE A 102 ? 4.17254 8.67026 -15.34112 1.000 8.40798 C ? A ? 90 CG1 1
   ATOM 1400 CG2 . ILE A 102 ? 2.04826 8.59960 -16.72960 1.000 8.29383 C ? A ? 90 CG2 1
   ATOM 1401 CD1 . ILE A 102 ? 4.48266 10.14764 -15.50413 1.000 12.49347 C ? A ? 90 CD1 1
   ATOM 1402 H . ILE A 102 ? 5.24466 6.06998 -16.83823 1.000 8.70599 H ? A ? 90 H 1
   ATOM 1403 HA . ILE A 102 ? 2.82010 6.34350 -15.61289 1.000 8.07898 H ? A ? 90 HA 1
   ATOM 1404 HB . ILE A 102 ? 3.97771 8.31212 -17.32777 1.000 9.69154 H ? A ? 90 HB 1
   ATOM 1405 HG12 . ILE A 102 ? 3.60751 8.56905 -14.55920 1.000 10.10746 H ? A ? 90 HG12 1
   ATOM 1406 HG13 . ILE A 102 ? 5.01180 8.20284 -15.20672 1.000 10.10746 H ? A ? 90 HG13 1
   ATOM 1407 HG21 . ILE A 102 ? 2.07787 9.56874 -16.75766 1.000 9.97048 H ? A ? 90 HG21 1
   ATOM 1408 HG22 . ILE A 102 ? 1.68686 8.25549 -17.56139 1.000 9.97048 H ? A ? 90 HG22 1
   ATOM 1409 HG23 . ILE A 102 ? 1.50031 8.30683 -15.98467 1.000 9.97048 H ? A ? 90 HG23 1
   ATOM 1410 HD11 . ILE A 102 ? 5.03688 10.43766 -14.76276 1.000 15.01005 H ? A ? 90 HD11 1
   ATOM 1411 HD12 . ILE A 102 ? 4.95398 10.28089 -16.34138 1.000 15.01005 H ? A ? 90 HD12 1
   ATOM 1412 HD13 . ILE A 102 ? 3.65061 10.64621 -15.50995 1.000 15.01005 H ? A ? 90 HD13 1
   ATOM 1413 N A CYS A 103 ? 1.53943 5.47548 -17.54779 0.560 6.69706 N ? A ? 91 N 1
   ATOM 1414 CA A CYS A 103 ? 0.84530 4.95157 -18.70492 0.560 6.64630 C ? A ? 91 CA 1
   ATOM 1415 C A CYS A 103 ? -0.51335 5.61694 -18.87428 0.560 6.32396 C ? A ? 91 C 1
   ATOM 1416 O A CYS A 103 ? -1.04381 6.26035 -17.96936 0.560 6.94869 O ? A ? 91 O 1
   ATOM 1417 CB A CYS A 103 ? 0.68258 3.42089 -18.64662 0.560 8.29637 C ? A ? 91 CB 1
   ATOM 1418 SG A CYS A 103 ? -0.58447 2.75124 -17.54336 0.560 7.58821 S ? A ? 91 SG 1
   ATOM 1419 H A CYS A 103 ? 1.07278 5.47591 -16.82540 0.560 8.05435 H ? A ? 91 H 1
   ATOM 1420 HA A CYS A 103 ? 1.37703 5.17133 -19.48586 0.560 7.99345 H ? A ? 91 HA 1
   ATOM 1421 HB2 A CYS A 103 ? 0.46636 3.11171 -19.54024 0.560 9.97353 H ? A ? 91 HB2 1
   ATOM 1422 HB3 A CYS A 103 ? 1.52929 3.04364 -18.36085 0.560 9.97353 H ? A ? 91 HB3 1
   ATOM 1423 HG A CYS A 103 ? -0.39040 3.15999 -16.43193 0.560 9.12374 H ? A ? 91 HG 1
   ATOM 1424 N B CYS A 103 ? 1.53341 5.49422 -17.55124 0.440 6.88370 N ? A ? 91 N 1
   ATOM 1425 CA B CYS A 103 ? 0.84637 4.96287 -18.70805 0.440 6.59324 C ? A ? 91 CA 1
   ATOM 1426 C B CYS A 103 ? -0.52336 5.60461 -18.86939 0.440 6.50199 C ? A ? 91 C 1
   ATOM 1427 O B CYS A 103 ? -1.06799 6.21881 -17.95222 0.440 6.84370 O ? A ? 91 O 1
   ATOM 1428 CB B CYS A 103 ? 0.67994 3.43363 -18.63983 0.440 8.22208 C ? A ? 91 CB 1
   ATOM 1429 SG B CYS A 103 ? -0.73481 2.82618 -17.68939 0.440 7.89603 S ? A ? 91 SG 1
   ATOM 1430 H B CYS A 103 ? 1.05981 5.51171 -16.83360 0.440 8.27833 H ? A ? 91 H 1
   ATOM 1431 HA B CYS A 103 ? 1.37701 5.18420 -19.48929 0.440 7.92978 H ? A ? 91 HA 1
   ATOM 1432 HB2 B CYS A 103 ? 0.58069 3.09971 -19.54512 0.440 9.88438 H ? A ? 91 HB2 1
   ATOM 1433 HB3 B CYS A 103 ? 1.47818 3.06051 -18.23425 0.440 9.88438 H ? A ? 91 HB3 1
   ATOM 1434 HG B CYS A 103 ? -0.60128 3.14813 -16.54113 0.440 9.49313 H ? A ? 91 HG 1
   ATOM 1435 N . HIS A 104 ? -1.07773 5.42055 -20.06178 1.000 7.15998 N ? A ? 92 N 1
   ATOM 1436 CA . HIS A 104 ? -2.47154 5.71567 -20.36806 1.000 7.74684 C ? A ? 92 CA 1
   ATOM 1437 C . HIS A 104 ? -3.20306 4.39694 -20.57191 1.000 5.73217 C ? A ? 92 C 1
   ATOM 1438 O . HIS A 104 ? -2.67562 3.47903 -21.22211 1.000 7.29265 O ? A ? 92 O 1
   ATOM 1439 CB . HIS A 104 ? -2.57803 6.54213 -21.64014 1.000 7.99534 C ? A ? 92 CB 1
   ATOM 1440 CG . HIS A 104 ? -2.20689 7.96581 -21.43154 1.000 7.29839 C ? A ? 92 CG 1
   ATOM 1441 ND1 . HIS A 104 ? -2.11811 8.88015 -22.46427 1.000 7.94316 N ? A ? 92 ND1 1
   ATOM 1442 CD2 . HIS A 104 ? -1.93339 8.63516 -20.29006 1.000 7.68756 C ? A ? 92 CD2 1
   ATOM 1443 CE1 . HIS A 104 ? -1.78173 10.05634 -21.94662 1.000 8.51272 C ? A ? 92 CE1 1
   ATOM 1444 NE2 . HIS A 104 ? -1.67313 9.93136 -20.63513 1.000 9.11680 N ? A ? 92 NE2 1
   ATOM 1445 HA . HIS A 104 ? -2.88084 6.21209 -19.64215 1.000 9.31409 H ? A ? 92 HA 1
   ATOM 1446 HB2 . HIS A 104 ? -1.98160 6.17092 -22.30900 1.000 9.61230 H ? A ? 92 HB2 1
   ATOM 1447 HB3 . HIS A 104 ? -3.49347 6.51386 -21.95963 1.000 9.61230 H ? A ? 92 HB3 1
   ATOM 1448 HD2 . HIS A 104 ? -1.92404 8.28010 -19.43055 1.000 9.24296 H ? A ? 92 HD2 1
   ATOM 1449 HE1 . HIS A 104 ? -1.64493 10.83999 -22.42836 1.000 10.23316 H ? A ? 92 HE1 1
   ATOM 1450 HE2 . HIS A 104 ? -1.47139 10.56336 -20.08788 1.000 10.95804 H ? A ? 92 HE2 1
   ATOM 1451 H A HIS A 104 ? -0.65207 5.10188 -20.73770 0.560 8.60986 H ? A ? 92 H 1
   ATOM 1452 H B HIS A 104 ? -0.64720 5.11199 -20.73930 0.440 8.60986 H ? A ? 92 H 1
   ATOM 1453 N A LEU A 105 ? -4.41479 4.31224 -20.02259 0.255 6.38506 N ? A ? 93 N 1
   ATOM 1454 CA A LEU A 105 ? -5.16481 3.06404 -19.95372 0.255 7.67294 C ? A ? 93 CA 1
   ATOM 1455 C A LEU A 105 ? -6.61566 3.33681 -20.31656 0.255 8.13876 C ? A ? 93 C 1
   ATOM 1456 O A LEU A 105 ? -7.31371 4.06569 -19.59966 0.255 7.11740 O ? A ? 93 O 1
   ATOM 1457 CB A LEU A 105 ? -5.08286 2.49140 -18.53560 0.255 9.70544 C ? A ? 93 CB 1
   ATOM 1458 CG A LEU A 105 ? -4.89633 0.98935 -18.36289 0.255 9.41517 C ? A ? 93 CG 1
   ATOM 1459 CD1 A LEU A 105 ? -3.57988 0.55181 -18.98747 0.255 9.24099 C ? A ? 93 CD1 1
   ATOM 1460 CD2 A LEU A 105 ? -4.96130 0.60450 -16.89466 0.255 6.15337 C ? A ? 93 CD2 1
   ATOM 1461 H A LEU A 105 ? -4.83069 4.98042 -19.67595 0.255 7.67996 H ? A ? 93 H 1
   ATOM 1462 HA A LEU A 105 ? -4.80759 2.42655 -20.59160 0.255 9.22542 H ? A ? 93 HA 1
   ATOM 1463 HB2 A LEU A 105 ? -4.33092 2.91508 -18.09290 0.255 11.66442 H ? A ? 93 HB2 1
   ATOM 1464 HB3 A LEU A 105 ? -5.90808 2.72068 -18.08026 0.255 11.66442 H ? A ? 93 HB3 1
   ATOM 1465 HG A LEU A 105 ? -5.61476 0.52150 -18.81662 0.255 11.31609 H ? A ? 93 HG 1
   ATOM 1466 HD11 A LEU A 105 ? -3.39023 -0.36047 -18.71790 0.255 11.10707 H ? A ? 93 HD11 1
   ATOM 1467 HD12 A LEU A 105 ? -3.65630 0.60229 -19.95314 0.255 11.10707 H ? A ? 93 HD12 1
   ATOM 1468 HD13 A LEU A 105 ? -2.87332 1.14116 -18.68032 0.255 11.10707 H ? A ? 93 HD13 1
   ATOM 1469 HD21 A LEU A 105 ? -4.93614 -0.36231 -16.82020 0.255 7.40193 H ? A ? 93 HD21 1
   ATOM 1470 HD22 A LEU A 105 ? -4.20130 0.99172 -16.43276 0.255 7.40193 H ? A ? 93 HD22 1
   ATOM 1471 HD23 A LEU A 105 ? -5.78699 0.94408 -16.51542 0.255 7.40193 H ? A ? 93 HD23 1
   ATOM 1472 N B LEU A 105 ? -4.39940 4.29978 -19.99867 0.745 6.17952 N ? A ? 93 N 1
   ATOM 1473 CA B LEU A 105 ? -5.16416 3.06528 -19.96257 0.745 7.79100 C ? A ? 93 CA 1
   ATOM 1474 C B LEU A 105 ? -6.59540 3.38258 -20.35896 0.745 8.19162 C ? A ? 93 C 1
   ATOM 1475 O B LEU A 105 ? -7.25174 4.22796 -19.72972 0.745 8.47865 O ? A ? 93 O 1
   ATOM 1476 CB B LEU A 105 ? -5.11351 2.47873 -18.55051 0.745 9.76551 C ? A ? 93 CB 1
   ATOM 1477 CG B LEU A 105 ? -5.37181 0.99649 -18.37886 0.745 10.79285 C ? A ? 93 CG 1
   ATOM 1478 CD1 B LEU A 105 ? -4.20741 0.13617 -18.92161 0.745 9.86082 C ? A ? 93 CD1 1
   ATOM 1479 CD2 B LEU A 105 ? -5.60073 0.69500 -16.93035 0.745 10.02774 C ? A ? 93 CD2 1
   ATOM 1480 H B LEU A 105 ? -4.79776 4.95741 -19.61339 0.745 7.43331 H ? A ? 93 H 1
   ATOM 1481 HA B LEU A 105 ? -4.81179 2.41842 -20.59368 0.745 9.36709 H ? A ? 93 HA 1
   ATOM 1482 HB2 B LEU A 105 ? -4.22763 2.64882 -18.19389 0.745 11.73650 H ? A ? 93 HB2 1
   ATOM 1483 HB3 B LEU A 105 ? -5.77992 2.93977 -18.01736 0.745 11.73650 H ? A ? 93 HB3 1
   ATOM 1484 HG B LEU A 105 ? -6.16076 0.76060 -18.89151 0.745 12.96931 H ? A ? 93 HG 1
   ATOM 1485 HD11 B LEU A 105 ? -4.38727 -0.79710 -18.72780 0.745 11.85087 H ? A ? 93 HD11 1
   ATOM 1486 HD12 B LEU A 105 ? -4.13785 0.26750 -19.88016 0.745 11.85087 H ? A ? 93 HD12 1
   ATOM 1487 HD13 B LEU A 105 ? -3.38361 0.41095 -18.48946 0.745 11.85087 H ? A ? 93 HD13 1
   ATOM 1488 HD21 B LEU A 105 ? -5.72528 -0.26092 -16.82259 0.745 12.05117 H ? A ? 93 HD21 1
   ATOM 1489 HD22 B LEU A 105 ? -4.82873 0.98748 -16.42106 0.745 12.05117 H ? A ? 93 HD22 1
   ATOM 1490 HD23 B LEU A 105 ? -6.39304 1.16765 -16.63079 0.745 12.05117 H ? A ? 93 HD23 1
   ATOM 1491 N . LEU A 106 ? -7.06949 2.73499 -21.41427 1.000 7.65868 N ? A ? 94 N 1
   ATOM 1492 CA . LEU A 106 ? -8.44548 2.86539 -21.88458 1.000 7.59044 C ? A ? 94 CA 1
   ATOM 1493 C . LEU A 106 ? -9.18039 1.58502 -21.52643 1.000 7.77723 C ? A ? 94 C 1
   ATOM 1494 O . LEU A 106 ? -8.72549 0.48774 -21.88420 1.000 8.71330 O ? A ? 94 O 1
   ATOM 1495 CB . LEU A 106 ? -8.47541 3.12447 -23.39803 1.000 9.38459 C ? A ? 94 CB 1
   ATOM 1496 CG . LEU A 106 ? -9.83815 3.50417 -23.95301 1.000 9.61614 C ? A ? 94 CG 1
   ATOM 1497 CD1 . LEU A 106 ? -10.31286 4.86918 -23.47390 1.000 9.57942 C ? A ? 94 CD1 1
   ATOM 1498 CD2 . LEU A 106 ? -9.73343 3.49518 -25.50695 1.000 10.60892 C ? A ? 94 CD2 1
   ATOM 1499 HA . LEU A 106 ? -8.89497 3.61113 -21.45712 1.000 9.12642 H ? A ? 94 HA 1
   ATOM 1500 HB2 . LEU A 106 ? -7.86562 3.85208 -23.59713 1.000 11.27940 H ? A ? 94 HB2 1
   ATOM 1501 HB3 . LEU A 106 ? -8.18884 2.31740 -23.85346 1.000 11.27940 H ? A ? 94 HB3 1
   ATOM 1502 HG . LEU A 106 ? -10.49858 2.86672 -23.63933 1.000 11.55726 H ? A ? 94 HG 1
   ATOM 1503 HD11 . LEU A 106 ? -11.19576 5.04172 -23.83669 1.000 11.51320 H ? A ? 94 HD11 1
   ATOM 1504 HD12 . LEU A 106 ? -10.34781 4.86903 -22.50453 1.000 11.51320 H ? A ? 94 HD12 1
   ATOM 1505 HD13 . LEU A 106 ? -9.69041 5.54617 -23.78234 1.000 11.51320 H ? A ? 94 HD13 1
   ATOM 1506 HD21 . LEU A 106 ? -10.60220 3.70621 -25.88324 1.000 12.74860 H ? A ? 94 HD21 1
   ATOM 1507 HD22 . LEU A 106 ? -9.08296 4.15950 -25.78348 1.000 12.74860 H ? A ? 94 HD22 1
   ATOM 1508 HD23 . LEU A 106 ? -9.45142 2.61435 -25.79936 1.000 12.74860 H ? A ? 94 HD23 1
   ATOM 1509 H A LEU A 106 ? -6.58528 2.23222 -21.91662 0.255 9.20830 H ? A ? 94 H 1
   ATOM 1510 H B LEU A 106 ? -6.59899 2.19587 -21.89133 0.745 9.20830 H ? A ? 94 H 1
   ATOM 1511 N . CYS A 107 ? -10.31644 1.71781 -20.83790 1.000 7.91614 N ? A ? 95 N 1
   ATOM 1512 CA . CYS A 107 ? -10.93727 0.58854 -20.14711 1.000 8.38893 C ? A ? 95 CA 1
   ATOM 1513 C . CYS A 107 ? -12.38331 0.45419 -20.59799 1.000 8.65966 C ? A ? 95 C 1
   ATOM 1514 O . CYS A 107 ? -13.20283 1.31290 -20.29561 1.000 9.16757 O ? A ? 95 O 1
   ATOM 1515 CB . CYS A 107 ? -10.88450 0.79775 -18.63264 1.000 8.41265 C ? A ? 95 CB 1
   ATOM 1516 SG . CYS A 107 ? -9.24854 1.18975 -18.00763 1.000 9.19396 S ? A ? 95 SG 1
   ATOM 1517 H . CYS A 107 ? -10.74763 2.45749 -20.75696 1.000 9.51725 H ? A ? 95 H 1
   ATOM 1518 HA . CYS A 107 ? -10.46696 -0.22479 -20.38836 1.000 10.08460 H ? A ? 95 HA 1
   ATOM 1519 HB2 . CYS A 107 ? -11.47358 1.53229 -18.39953 1.000 10.11306 H ? A ? 95 HB2 1
   ATOM 1520 HB3 . CYS A 107 ? -11.18035 -0.01623 -18.19583 1.000 10.11306 H ? A ? 95 HB3 1
   ATOM 1521 HG . CYS A 107 ? -9.29333 1.25622 -16.81031 1.000 11.05064 H ? A ? 95 HG 1
   ATOM 1522 N . LYS A 108 ? -12.71128 -0.63891 -21.29673 1.000 8.91691 N ? A ? 96 N 1
   ATOM 1523 CA . LYS A 108 ? -14.09223 -0.86526 -21.69788 1.000 8.70845 C ? A ? 96 CA 1
   ATOM 1524 C . LYS A 108 ? -14.94078 -1.33886 -20.52324 1.000 11.17978 C ? A ? 96 C 1
   ATOM 1525 O . LYS A 108 ? -14.41687 -1.80096 -19.50160 1.000 9.34738 O ? A ? 96 O 1
   ATOM 1526 CB . LYS A 108 ? -14.17270 -1.93687 -22.77508 1.000 11.97479 C ? A ? 96 CB 1
   ATOM 1527 CG . LYS A 108 ? -13.52547 -1.58366 -24.07679 1.000 12.38340 C ? A ? 96 CG 1
   ATOM 1528 CD . LYS A 108 ? -13.83676 -2.70977 -25.07477 1.000 21.12270 C ? A ? 96 CD 1
   ATOM 1529 CE . LYS A 108 ? -13.08652 -2.58939 -26.39708 1.000 25.15508 C ? A ? 96 CE 1
   ATOM 1530 NZ . LYS A 108 ? -13.53235 -1.38087 -27.15656 1.000 25.32893 N ? A ? 96 NZ 1
   ATOM 1531 H . LYS A 108 ? -12.15883 -1.25001 -21.54365 1.000 10.71817 H ? A ? 96 H 1
   ATOM 1532 HA . LYS A 108 ? -14.44220 -0.02612 -22.03590 1.000 10.46803 H ? A ? 96 HA 1
   ATOM 1533 HB2 . LYS A 108 ? -13.73752 -2.73767 -22.44307 1.000 14.38764 H ? A ? 96 HB2 1
   ATOM 1534 HB3 . LYS A 108 ? -15.10809 -2.11858 -22.95656 1.000 14.38764 H ? A ? 96 HB3 1
   ATOM 1535 HG2 . LYS A 108 ? -13.88441 -0.74805 -24.41417 1.000 14.87797 H ? A ? 96 HG2 1
   ATOM 1536 HG3 . LYS A 108 ? -12.56469 -1.51093 -23.96499 1.000 14.87797 H ? A ? 96 HG3 1
   ATOM 1537 HD2 . LYS A 108 ? -13.59236 -3.55847 -24.67369 1.000 25.36513 H ? A ? 96 HD2 1
   ATOM 1538 HD3 . LYS A 108 ? -14.78627 -2.69757 -25.27271 1.000 25.36513 H ? A ? 96 HD3 1
   ATOM 1539 HE2 . LYS A 108 ? -12.13560 -2.50956 -26.22308 1.000 30.20399 H ? A ? 96 HE2 1
   ATOM 1540 HE3 . LYS A 108 ? -13.25974 -3.37458 -26.93964 1.000 30.20399 H ? A ? 96 HE3 1
   ATOM 1541 HZ1 . LYS A 108 ? -12.86578 -1.07530 -27.66095 1.000 30.41261 H ? A ? 96 HZ1 1
   ATOM 1542 HZ2 . LYS A 108 ? -14.22039 -1.58806 -27.68170 1.000 30.41261 H ? A ? 96 HZ2 1
   ATOM 1543 HZ3 . LYS A 108 ? -13.78315 -0.74122 -26.59083 1.000 30.41261 H ? A ? 96 HZ3 1
   ATOM 1544 N A PRO A 109 ? -16.26373 -1.24950 -20.65348 0.287 10.91264 N ? A ? 97 N 1
   ATOM 1545 CA A PRO A 109 ? -17.14297 -1.55012 -19.51266 0.287 9.99614 C ? A ? 97 CA 1
   ATOM 1546 C A PRO A 109 ? -16.94100 -2.92396 -18.90062 0.287 10.98604 C ? A ? 97 C 1
   ATOM 1547 O A PRO A 109 ? -17.05873 -3.07532 -17.67890 0.287 11.39104 O ? A ? 97 O 1
   ATOM 1548 CB A PRO A 109 ? -18.54787 -1.39063 -20.11283 0.287 11.33244 C ? A ? 97 CB 1
   ATOM 1549 CG A PRO A 109 ? -18.38000 -0.39362 -21.21839 0.287 11.18749 C ? A ? 97 CG 1
   ATOM 1550 CD A PRO A 109 ? -16.99681 -0.63673 -21.78150 0.287 10.45588 C ? A ? 97 CD 1
   ATOM 1551 HA A PRO A 109 ? -17.00277 -0.88384 -18.82178 0.287 12.01326 H ? A ? 97 HA 1
   ATOM 1552 HB2 A PRO A 109 ? -18.85961 -2.24236 -20.45673 0.287 13.61682 H ? A ? 97 HB2 1
   ATOM 1553 HB3 A PRO A 109 ? -19.16103 -1.06115 -19.43727 0.287 13.61682 H ? A ? 97 HB3 1
   ATOM 1554 HG2 A PRO A 109 ? -19.05813 -0.53878 -21.89659 0.287 13.44287 H ? A ? 97 HG2 1
   ATOM 1555 HG3 A PRO A 109 ? -18.45365 0.50583 -20.86276 0.287 13.44287 H ? A ? 97 HG3 1
   ATOM 1556 HD2 A PRO A 109 ? -17.03495 -1.24375 -22.53713 0.287 12.56495 H ? A ? 97 HD2 1
   ATOM 1557 HD3 A PRO A 109 ? -16.58218 0.19879 -22.04775 0.287 12.56495 H ? A ? 97 HD3 1
   ATOM 1558 N B PRO A 109 ? -16.25984 -1.24454 -20.62229 0.713 10.89402 N ? A ? 97 N 1
   ATOM 1559 CA B PRO A 109 ? -17.08572 -1.53617 -19.44126 0.713 9.62444 C ? A ? 97 CA 1
   ATOM 1560 C B PRO A 109 ? -16.93243 -2.93822 -18.88482 0.713 11.14534 C ? A ? 97 C 1
   ATOM 1561 O B PRO A 109 ? -17.06204 -3.11851 -17.66610 0.713 11.17444 O ? A ? 97 O 1
   ATOM 1562 CB B PRO A 109 ? -18.51884 -1.24104 -19.91534 0.713 13.53617 C ? A ? 97 CB 1
   ATOM 1563 CG B PRO A 109 ? -18.44279 -1.15606 -21.38233 0.713 10.12754 C ? A ? 97 CG 1
   ATOM 1564 CD B PRO A 109 ? -17.05725 -0.63095 -21.69568 0.713 10.95583 C ? A ? 97 CD 1
   ATOM 1565 HA B PRO A 109 ? -16.85621 -0.90992 -18.73696 0.713 11.56722 H ? A ? 97 HA 1
   ATOM 1566 HB2 B PRO A 109 ? -19.10886 -1.96077 -19.64193 0.713 16.26129 H ? A ? 97 HB2 1
   ATOM 1567 HB3 B PRO A 109 ? -18.82248 -0.40118 -19.53674 0.713 16.26129 H ? A ? 97 HB3 1
   ATOM 1568 HG2 B PRO A 109 ? -18.57167 -2.03669 -21.76806 0.713 12.17093 H ? A ? 97 HG2 1
   ATOM 1569 HG3 B PRO A 109 ? -19.12307 -0.54737 -21.71038 0.713 12.17093 H ? A ? 97 HG3 1
   ATOM 1570 HD2 B PRO A 109 ? -16.75804 -0.92721 -22.56952 0.713 13.16489 H ? A ? 97 HD2 1
   ATOM 1571 HD3 B PRO A 109 ? -17.02839 0.33734 -21.64582 0.713 13.16489 H ? A ? 97 HD3 1
   ATOM 1572 N . GLU A 110 ? -16.65813 -3.93691 -19.71415 1.000 10.45788 N ? A ? 98 N 1
   ATOM 1573 CA . GLU A 110 ? -16.48718 -5.28936 -19.19423 1.000 11.69053 C ? A ? 98 CA 1
   ATOM 1574 C . GLU A 110 ? -15.33795 -5.39637 -18.19942 1.000 11.75607 C ? A ? 98 C 1
   ATOM 1575 O . GLU A 110 ? -15.29388 -6.34557 -17.40085 1.000 14.11483 O ? A ? 98 O 1
   ATOM 1576 CB . GLU A 110 ? -16.20708 -6.23015 -20.36436 1.000 15.28819 C ? A ? 98 CB 1
   ATOM 1577 CG . GLU A 110 ? -16.27248 -7.68901 -19.99562 1.000 26.18558 C ? A ? 98 CG 1
   ATOM 1578 CD . GLU A 110 ? -17.06116 -8.48323 -21.00473 1.000 59.40833 C ? A ? 98 CD 1
   ATOM 1579 OE1 . GLU A 110 ? -17.08741 -8.09268 -22.19186 1.000 65.13884 O ? A ? 98 OE1 1
   ATOM 1580 OE2 . GLU A 110 ? -17.68689 -9.48119 -20.59764 1.000 65.18874 O ? A ? 98 OE2 1
   ATOM 1581 HA . GLU A 110 ? -17.30207 -5.55508 -18.74009 1.000 14.04652 H ? A ? 98 HA 1
   ATOM 1582 HB2 . GLU A 110 ? -16.86550 -6.06983 -21.05840 1.000 18.36372 H ? A ? 98 HB2 1
   ATOM 1583 HB3 . GLU A 110 ? -15.31653 -6.04965 -20.70384 1.000 18.36372 H ? A ? 98 HB3 1
   ATOM 1584 HG2 . GLU A 110 ? -15.37318 -8.05072 -19.95899 1.000 31.44059 H ? A ? 98 HG2 1
   ATOM 1585 HG3 . GLU A 110 ? -16.70288 -7.78190 -19.13131 1.000 31.44059 H ? A ? 98 HG3 1
   ATOM 1586 H A GLU A 110 ? -16.56045 -3.86893 -20.56588 0.287 12.56734 H ? A ? 98 H 1
   ATOM 1587 H B GLU A 110 ? -16.56720 -3.86165 -20.56602 0.713 12.56734 H ? A ? 98 H 1
   ATOM 1588 N . TYR A 111 ? -14.41771 -4.43417 -18.21917 1.000 9.42191 N ? A ? 99 N 1
   ATOM 1589 CA . TYR A 111 ? -13.27644 -4.40186 -17.31101 1.000 9.79576 C ? A ? 99 CA 1
   ATOM 1590 C . TYR A 111 ? -13.38429 -3.25419 -16.32250 1.000 9.53172 C ? A ? 99 C 1
   ATOM 1591 O . TYR A 111 ? -12.39388 -2.91603 -15.65704 1.000 10.08920 O ? A ? 99 O 1
   ATOM 1592 CB . TYR A 111 ? -11.98742 -4.35683 -18.14088 1.000 8.17979 C ? A ? 99 CB 1
   ATOM 1593 CG . TYR A 111 ? -11.81730 -5.62051 -18.96873 1.000 9.39941 C ? A ? 99 CG 1
   ATOM 1594 CD1 . TYR A 111 ? -12.37527 -5.73223 -20.23429 1.000 11.13805 C ? A ? 99 CD1 1
   ATOM 1595 CD2 . TYR A 111 ? -11.15089 -6.71696 -18.45235 1.000 10.06024 C ? A ? 99 CD2 1
   ATOM 1596 CE1 . TYR A 111 ? -12.23592 -6.89616 -20.96581 1.000 10.34535 C ? A ? 99 CE1 1
   ATOM 1597 CE2 . TYR A 111 ? -11.01219 -7.89648 -19.16935 1.000 11.77522 C ? A ? 99 CE2 1
   ATOM 1598 CZ . TYR A 111 ? -11.57294 -7.97267 -20.43867 1.000 12.20315 C ? A ? 99 CZ 1
   ATOM 1599 OH . TYR A 111 ? -11.46358 -9.12000 -21.19747 1.000 14.41852 O ? A ? 99 OH 1
   ATOM 1600 H . TYR A 111 ? -14.43437 -3.77054 -18.76590 1.000 11.32418 H ? A ? 99 H 1
   ATOM 1601 HA . TYR A 111 ? -13.23162 -5.20975 -16.77603 1.000 11.77280 H ? A ? 99 HA 1
   ATOM 1602 HB2 . TYR A 111 ? -12.02018 -3.59779 -18.74396 1.000 9.83364 H ? A ? 99 HB2 1
   ATOM 1603 HB3 . TYR A 111 ? -11.22541 -4.27544 -17.54623 1.000 9.83364 H ? A ? 99 HB3 1
   ATOM 1604 HD1 . TYR A 111 ? -12.84781 -5.01644 -20.59380 1.000 13.38355 H ? A ? 99 HD1 1
   ATOM 1605 HD2 . TYR A 111 ? -10.78491 -6.66187 -17.59917 1.000 12.09017 H ? A ? 99 HD2 1
   ATOM 1606 HE1 . TYR A 111 ? -12.59482 -6.94904 -21.82214 1.000 12.43231 H ? A ? 99 HE1 1
   ATOM 1607 HE2 . TYR A 111 ? -10.55380 -8.62067 -18.80833 1.000 14.14815 H ? A ? 99 HE2 1
   ATOM 1608 HH . TYR A 111 ? -12.21790 -9.34202 -21.49294 1.000 17.32011 H ? A ? 99 HH 1
   ATOM 1609 N . ALA A 112 ? -14.56525 -2.65599 -16.19748 1.000 9.41822 N ? A ? 100 N 1
   ATOM 1610 CA . ALA A 112 ? -14.81281 -1.52168 -15.33634 1.000 9.90475 C ? A ? 100 CA 1
   ATOM 1611 C . ALA A 112 ? -16.12714 -1.79825 -14.61241 1.000 9.16134 C ? A ? 100 C 1
   ATOM 1612 O . ALA A 112 ? -16.17177 -2.70555 -13.77048 1.000 10.88817 O ? A ? 100 O 1
   ATOM 1613 CB . ALA A 112 ? -14.79851 -0.23622 -16.15491 1.000 12.28249 C ? A ? 100 CB 1
   ATOM 1614 H . ALA A 112 ? -15.26916 -2.90507 -16.62417 1.000 11.31975 H ? A ? 100 H 1
   ATOM 1615 HA . ALA A 112 ? -14.12600 -1.38513 -14.66512 1.000 11.90359 H ? A ? 100 HA 1
   ATOM 1616 HB1 . ALA A 112 ? -14.96981 0.51518 -15.56589 1.000 14.75688 H ? A ? 100 HB1 1
   ATOM 1617 HB2 . ALA A 112 ? -13.92863 -0.13748 -16.57262 1.000 14.75688 H ? A ? 100 HB2 1
   ATOM 1618 HB3 . ALA A 112 ? -15.48818 -0.28727 -16.83509 1.000 14.75688 H ? A ? 100 HB3 1
   ATOM 1619 N . TYR A 113 ? -17.17992 -1.02881 -14.88798 1.000 10.95638 N ? A ? 101 N 1
   ATOM 1620 CA . TYR A 113 ? -18.43328 -1.12415 -14.13887 1.000 10.74289 C ? A ? 101 CA 1
   ATOM 1621 C . TYR A 113 ? -19.56125 -1.77021 -14.92232 1.000 13.30562 C ? A ? 101 C 1
   ATOM 1622 O . TYR A 113 ? -20.69268 -1.81702 -14.41589 1.000 13.05414 O ? A ? 101 O 1
   ATOM 1623 CB . TYR A 113 ? -18.84025 0.26015 -13.64252 1.000 9.58139 C ? A ? 101 CB 1
   ATOM 1624 CG . TYR A 113 ? -17.79361 0.85931 -12.74282 1.000 11.46652 C ? A ? 101 CG 1
   ATOM 1625 CD1 . TYR A 113 ? -17.76871 0.57108 -11.38558 1.000 13.20992 C ? A ? 101 CD1 1
   ATOM 1626 CD2 . TYR A 113 ? -16.81161 1.68398 -13.24654 1.000 10.29107 C ? A ? 101 CD2 1
   ATOM 1627 CE1 . TYR A 113 ? -16.81471 1.12039 -10.56031 1.000 13.07705 C ? A ? 101 CE1 1
   ATOM 1628 CE2 . TYR A 113 ? -15.86594 2.24793 -12.42213 1.000 10.13555 C ? A ? 101 CE2 1
   ATOM 1629 CZ . TYR A 113 ? -15.83695 1.93221 -11.08396 1.000 11.00882 C ? A ? 101 CZ 1
   ATOM 1630 OH . TYR A 113 ? -14.88419 2.45418 -10.24409 1.000 10.92220 O ? A ? 101 OH 1
   ATOM 1631 H . TYR A 113 ? -17.19303 -0.43684 -15.51168 1.000 13.16554 H ? A ? 101 H 1
   ATOM 1632 HA . TYR A 113 ? -18.29051 -1.68385 -13.35960 1.000 12.90936 H ? A ? 101 HA 1
   ATOM 1633 HB2 . TYR A 113 ? -18.96169 0.84956 -14.40327 1.000 11.51556 H ? A ? 101 HB2 1
   ATOM 1634 HB3 . TYR A 113 ? -19.66813 0.18963 -13.14198 1.000 11.51556 H ? A ? 101 HB3 1
   ATOM 1635 HD1 . TYR A 113 ? -18.40729 -0.00274 -11.02802 1.000 15.86980 H ? A ? 101 HD1 1
   ATOM 1636 HD2 . TYR A 113 ? -16.78773 1.86228 -14.15897 1.000 12.36717 H ? A ? 101 HD2 1
   ATOM 1637 HE1 . TYR A 113 ? -16.83141 0.94233 -9.64767 1.000 15.71035 H ? A ? 101 HE1 1
   ATOM 1638 HE2 . TYR A 113 ? -15.24394 2.84487 -12.77093 1.000 12.18055 H ? A ? 101 HE2 1
   ATOM 1639 HH . TYR A 113 ? -14.11916 2.34142 -10.57214 1.000 13.12453 H ? A ? 101 HH 1
   ATOM 1640 N . GLY A 114 ? -19.29000 -2.25308 -16.12242 1.000 11.97207 N ? A ? 102 N 1
   ATOM 1641 CA . GLY A 114 ? -20.23843 -3.06446 -16.85522 1.000 13.19228 C ? A ? 102 CA 1
   ATOM 1642 C . GLY A 114 ? -21.53565 -2.36634 -17.19128 1.000 14.37729 C ? A ? 102 C 1
   ATOM 1643 O . GLY A 114 ? -21.64792 -1.14632 -17.24462 1.000 12.91205 O ? A ? 102 O 1
   ATOM 1644 H . GLY A 114 ? -18.55068 -2.12314 -16.54209 1.000 14.38437 H ? A ? 102 H 1
   ATOM 1645 HA2 . GLY A 114 ? -19.82990 -3.34709 -17.68836 1.000 15.84863 H ? A ? 102 HA2 1
   ATOM 1646 HA3 . GLY A 114 ? -20.45279 -3.84895 -16.32653 1.000 15.84863 H ? A ? 102 HA3 1
   ATOM 1647 N . SER A 115 ? -22.55788 -3.19024 -17.44276 1.000 16.61158 N ? A ? 103 N 1
   ATOM 1648 CA . SER A 115 ? -23.87158 -2.62961 -17.72751 1.000 14.51472 C ? A ? 103 CA 1
   ATOM 1649 C . SER A 115 ? -24.49893 -2.00829 -16.48857 1.000 13.77854 C ? A ? 103 C 1
   ATOM 1650 O . SER A 115 ? -25.31860 -1.09240 -16.60987 1.000 16.62747 O ? A ? 103 O 1
   ATOM 1651 CB . SER A 115 ? -24.78154 -3.71104 -18.32053 1.000 18.30114 C ? A ? 103 CB 1
   ATOM 1652 OG . SER A 115 ? -24.96015 -4.76471 -17.39502 1.000 25.15544 O ? A ? 103 OG 1
   ATOM 1653 H . SER A 115 ? -22.51394 -4.04905 -17.45317 1.000 19.95178 H ? A ? 103 H 1
   ATOM 1654 HA . SER A 115 ? -23.78914 -1.92933 -18.39363 1.000 17.43555 H ? A ? 103 HA 1
   ATOM 1655 HB2 . SER A 115 ? -25.64495 -3.32090 -18.52840 1.000 21.97926 H ? A ? 103 HB2 1
   ATOM 1656 HB3 . SER A 115 ? -24.37339 -4.06246 -19.12726 1.000 21.97926 H ? A ? 103 HB3 1
   ATOM 1657 HG . SER A 115 ? -24.25004 -5.20767 -17.32341 1.000 30.20442 H ? A ? 103 HG 1
   ATOM 1658 N . ALA A 116 ? -24.07501 -2.42917 -15.30045 1.000 15.22362 N ? A ? 104 N 1
   ATOM 1659 CA . ALA A 116 ? -24.63958 -1.85174 -14.08837 1.000 17.63486 C ? A ? 104 CA 1
   ATOM 1660 C . ALA A 116 ? -24.20229 -0.41225 -13.90088 1.000 18.40941 C ? A ? 104 C 1
   ATOM 1661 O . ALA A 116 ? -24.96447 0.41413 -13.38817 1.000 17.99346 O ? A ? 104 O 1
   ATOM 1662 CB . ALA A 116 ? -24.19042 -2.64583 -12.86762 1.000 16.58518 C ? A ? 104 CB 1
   ATOM 1663 H . ALA A 116 ? -23.47624 -3.03303 -15.17227 1.000 18.28623 H ? A ? 104 H 1
   ATOM 1664 HA . ALA A 116 ? -25.60605 -1.89109 -14.16107 1.000 21.17972 H ? A ? 104 HA 1
   ATOM 1665 HB1 . ALA A 116 ? -24.58717 -2.25524 -12.07331 1.000 19.92011 H ? A ? 104 HB1 1
   ATOM 1666 HB2 . ALA A 116 ? -24.48183 -3.56592 -12.96467 1.000 19.92011 H ? A ? 104 HB2 1
   ATOM 1667 HB3 . ALA A 116 ? -23.22304 -2.61000 -12.80599 1.000 19.92011 H ? A ? 104 HB3 1
   ATOM 1668 N . GLY A 117 ? -22.97487 -0.09113 -14.29873 1.000 14.17387 N ? A ? 105 N 1
   ATOM 1669 CA . GLY A 117 ? -22.45369 1.19274 -13.95048 1.000 12.54937 C ? A ? 105 CA 1
   ATOM 1670 C . GLY A 117 ? -22.21886 1.30981 -12.45066 1.000 13.55548 C ? A ? 105 C 1
   ATOM 1671 O . GLY A 117 ? -22.15200 0.32124 -11.70819 1.000 16.52604 O ? A ? 105 O 1
   ATOM 1672 H . GLY A 117 ? -22.44950 -0.59410 -14.75766 1.000 17.02654 H ? A ? 105 H 1
   ATOM 1673 HA2 . GLY A 117 ? -21.61048 1.33605 -14.40803 1.000 15.07713 H ? A ? 105 HA2 1
   ATOM 1674 HA3 . GLY A 117 ? -23.08060 1.88195 -14.22045 1.000 15.07713 H ? A ? 105 HA3 1
   ATOM 1675 N . SER A 118 ? -22.05703 2.54531 -12.01692 1.000 14.26191 N ? A ? 106 N 1
   ATOM 1676 CA . SER A 118 ? -21.96598 2.85112 -10.59469 1.000 15.98968 C ? A ? 106 CA 1
   ATOM 1677 C . SER A 118 ? -22.63511 4.21297 -10.44508 1.000 17.23385 C ? A ? 106 C 1
   ATOM 1678 O . SER A 118 ? -21.98188 5.24270 -10.32449 1.000 18.53170 O ? A ? 106 O 1
   ATOM 1679 CB . SER A 118 ? -20.52591 2.86796 -10.09533 1.000 15.58801 C ? A ? 106 CB 1
   ATOM 1680 OG . SER A 118 ? -20.49132 2.97662 -8.67852 1.000 18.75450 O ? A ? 106 OG 1
   ATOM 1681 H . SER A 118 ? -21.99604 3.23394 -12.52845 1.000 17.13218 H ? A ? 106 H 1
   ATOM 1682 HA . SER A 118 ? -22.44100 2.18942 -10.06799 1.000 19.20550 H ? A ? 106 HA 1
   ATOM 1683 HB2 . SER A 118 ? -20.08855 2.04389 -10.36092 1.000 18.72351 H ? A ? 106 HB2 1
   ATOM 1684 HB3 . SER A 118 ? -20.06474 3.62817 -10.48301 1.000 18.72351 H ? A ? 106 HB3 1
   ATOM 1685 HG . SER A 118 ? -19.70596 2.86775 -8.40111 1.000 22.52329 H ? A ? 106 HG 1
   ATOM 1686 N . LEU A 119 ? -23.97784 4.20057 -10.47952 1.000 19.17476 N ? A ? 107 N 1
   ATOM 1687 CA . LEU A 119 ? -24.75800 5.41101 -10.65242 1.000 24.66145 C ? A ? 107 CA 1
   ATOM 1688 C . LEU A 119 ? -24.83202 6.20500 -9.34982 1.000 29.51844 C ? A ? 107 C 1
   ATOM 1689 O . LEU A 119 ? -24.79581 5.62924 -8.26166 1.000 28.87681 O ? A ? 107 O 1
   ATOM 1690 CB . LEU A 119 ? -26.17300 5.05688 -11.10133 1.000 26.58517 C ? A ? 107 CB 1
   ATOM 1691 CG . LEU A 119 ? -26.30059 4.34837 -12.45064 1.000 31.73016 C ? A ? 107 CG 1
   ATOM 1692 CD1 . LEU A 119 ? -27.66577 3.70733 -12.65673 1.000 34.89852 C ? A ? 107 CD1 1
   ATOM 1693 CD2 . LEU A 119 ? -26.00625 5.35455 -13.55211 1.000 27.42612 C ? A ? 107 CD2 1
   ATOM 1694 H . LEU A 119 ? -24.45651 3.49019 -10.40315 1.000 23.02760 H ? A ? 107 H 1
   ATOM 1695 HA . LEU A 119 ? -24.34004 5.97006 -11.32597 1.000 29.61163 H ? A ? 107 HA 1
   ATOM 1696 HB2 . LEU A 119 ? -26.56291 4.47143 -10.43340 1.000 31.92009 H ? A ? 107 HB2 1
   ATOM 1697 HB3 . LEU A 119 ? -26.68434 5.87900 -11.16102 1.000 31.92009 H ? A ? 107 HB3 1
   ATOM 1698 HG . LEU A 119 ? -25.66278 3.61828 -12.48311 1.000 38.09408 H ? A ? 107 HG 1
   ATOM 1699 HD11 . LEU A 119 ? -27.68164 3.26943 -13.52212 1.000 41.89611 H ? A ? 107 HD11 1
   ATOM 1700 HD12 . LEU A 119 ? -27.81841 3.05652 -11.95385 1.000 41.89611 H ? A ? 107 HD12 1
   ATOM 1701 HD13 . LEU A 119 ? -28.34694 4.39707 -12.62250 1.000 41.89611 H ? A ? 107 HD13 1
   ATOM 1702 HD21 . LEU A 119 ? -26.10470 4.91833 -14.41288 1.000 32.92924 H ? A ? 107 HD21 1
   ATOM 1703 HD22 . LEU A 119 ? -26.63223 6.09217 -13.48156 1.000 32.92924 H ? A ? 107 HD22 1
   ATOM 1704 HD23 . LEU A 119 ? -25.09842 5.68005 -13.44815 1.000 32.92924 H ? A ? 107 HD23 1
   ATOM 1705 N . PRO A 120 ? -24.94022 7.53925 -9.44259 1.000 28.83701 N ? A ? 108 N 1
   ATOM 1706 CA . PRO A 120 ? -25.01241 8.33726 -10.67887 1.000 26.70397 C ? A ? 108 CA 1
   ATOM 1707 C . PRO A 120 ? -23.65920 8.63755 -11.32098 1.000 25.12950 C ? A ? 108 C 1
   ATOM 1708 O . PRO A 120 ? -23.60770 9.08072 -12.45995 1.000 30.89861 O ? A ? 108 O 1
   ATOM 1709 CB . PRO A 120 ? -25.67591 9.63855 -10.20254 1.000 42.03699 C ? A ? 108 CB 1
   ATOM 1710 CG . PRO A 120 ? -25.17142 9.79037 -8.78550 1.000 33.01800 C ? A ? 108 CG 1
   ATOM 1711 CD . PRO A 120 ? -25.13072 8.37702 -8.23989 1.000 37.21002 C ? A ? 108 CD 1
   ATOM 1712 HA . PRO A 120 ? -25.57004 7.86350 -11.31566 1.000 32.06265 H ? A ? 108 HA 1
   ATOM 1713 HB2 . PRO A 120 ? -25.39577 10.38226 -10.75870 1.000 50.46227 H ? A ? 108 HB2 1
   ATOM 1714 HB3 . PRO A 120 ? -26.64176 9.55201 -10.22615 1.000 50.46227 H ? A ? 108 HB3 1
   ATOM 1715 HG2 . PRO A 120 ? -24.28660 10.18785 -8.78903 1.000 39.63949 H ? A ? 108 HG2 1
   ATOM 1716 HG3 . PRO A 120 ? -25.78169 10.34382 -8.27346 1.000 39.63949 H ? A ? 108 HG3 1
   ATOM 1717 HD2 . PRO A 120 ? -24.38878 8.26791 -7.62464 1.000 44.66991 H ? A ? 108 HD2 1
   ATOM 1718 HD3 . PRO A 120 ? -25.96467 8.15621 -7.79643 1.000 44.66991 H ? A ? 108 HD3 1
   ATOM 1719 N . LYS A 121 ? -22.56355 8.37867 -10.60579 1.000 24.32389 N ? A ? 109 N 1
   ATOM 1720 CA . LYS A 121 ? -21.23875 8.79334 -11.06458 1.000 36.37911 C ? A ? 109 CA 1
   ATOM 1721 C . LYS A 121 ? -20.87752 8.15932 -12.40958 1.000 21.91763 C ? A ? 109 C 1
   ATOM 1722 O . LYS A 121 ? -20.49355 8.86079 -13.35651 1.000 22.21011 O ? A ? 109 O 1
   ATOM 1723 CB . LYS A 121 ? -20.21010 8.41240 -9.99985 1.000 25.70138 C ? A ? 109 CB 1
   ATOM 1724 CG . LYS A 121 ? -18.80645 8.94827 -10.23315 1.000 30.61290 C ? A ? 109 CG 1
   ATOM 1725 CD . LYS A 121 ? -17.79717 8.28442 -9.28812 1.000 38.24725 C ? A ? 109 CD 1
   ATOM 1726 CE . LYS A 121 ? -16.53147 9.10477 -9.15894 1.000 34.79541 C ? A ? 109 CE 1
   ATOM 1727 NZ . LYS A 121 ? -16.82437 10.40903 -8.51085 1.000 33.13866 N ? A ? 109 NZ 1
   ATOM 1728 H . LYS A 121 ? -22.55968 7.96470 -9.85199 1.000 29.20655 H ? A ? 109 H 1
   ATOM 1729 HA . LYS A 121 ? -21.23250 9.75525 -11.18944 1.000 43.67282 H ? A ? 109 HA 1
   ATOM 1730 HB2 . LYS A 121 ? -20.51307 8.75604 -9.14485 1.000 30.85955 H ? A ? 109 HB2 1
   ATOM 1731 HB3 . LYS A 121 ? -20.14896 7.44493 -9.96572 1.000 30.85955 H ? A ? 109 HB3 1
   ATOM 1732 HG2 . LYS A 121 ? -18.53816 8.76348 -11.14681 1.000 36.75337 H ? A ? 109 HG2 1
   ATOM 1733 HG3 . LYS A 121 ? -18.79498 9.90455 -10.07097 1.000 36.75337 H ? A ? 109 HG3 1
   ATOM 1734 HD2 . LYS A 121 ? -18.19320 8.19499 -8.40718 1.000 45.91459 H ? A ? 109 HD2 1
   ATOM 1735 HD3 . LYS A 121 ? -17.55936 7.41043 -9.63524 1.000 45.91459 H ? A ? 109 HD3 1
   ATOM 1736 HE2 . LYS A 121 ? -15.88747 8.62586 -8.61414 1.000 41.77238 H ? A ? 109 HE2 1
   ATOM 1737 HE3 . LYS A 121 ? -16.16123 9.27272 -10.03963 1.000 41.77238 H ? A ? 109 HE3 1
   ATOM 1738 HZ1 . LYS A 121 ? -16.08017 10.89359 -8.45192 1.000 39.78428 H ? A ? 109 HZ1 1
   ATOM 1739 HZ2 . LYS A 121 ? -17.42476 10.85886 -8.98969 1.000 39.78428 H ? A ? 109 HZ2 1
   ATOM 1740 HZ3 . LYS A 121 ? -17.14823 10.27640 -7.69254 1.000 39.78428 H ? A ? 109 HZ3 1
   ATOM 1741 N . ILE A 122 ? -20.97105 6.85048 -12.50744 1.000 19.02391 N ? A ? 110 N 1
   ATOM 1742 CA . ILE A 122 ? -20.53492 6.13090 -13.70420 1.000 13.83435 C ? A ? 110 CA 1
   ATOM 1743 C . ILE A 122 ? -21.76911 5.57085 -14.40452 1.000 11.80000 C ? A ? 110 C 1
   ATOM 1744 O . ILE A 122 ? -22.46908 4.71721 -13.83433 1.000 15.17500 O ? A ? 110 O 1
   ATOM 1745 CB . ILE A 122 ? -19.53424 5.02171 -13.34813 1.000 16.92364 C ? A ? 110 CB 1
   ATOM 1746 CG1 . ILE A 122 ? -18.33650 5.57887 -12.55219 1.000 18.01440 C ? A ? 110 CG1 1
   ATOM 1747 CG2 . ILE A 122 ? -19.07538 4.33794 -14.60774 1.000 13.40649 C ? A ? 110 CG2 1
   ATOM 1748 CD1 . ILE A 122 ? -17.42141 6.46997 -13.34161 1.000 20.66658 C ? A ? 110 CD1 1
   ATOM 1749 H . ILE A 122 ? -21.28720 6.34308 -11.88922 1.000 22.84658 H ? A ? 110 H 1
   ATOM 1750 HA . ILE A 122 ? -20.10576 6.74775 -14.31757 1.000 16.61911 H ? A ? 110 HA 1
   ATOM 1751 HB . ILE A 122 ? -19.97942 4.37555 -12.77788 1.000 20.32625 H ? A ? 110 HB 1
   ATOM 1752 HG12 . ILE A 122 ? -18.67616 6.09647 -11.80545 1.000 21.63517 H ? A ? 110 HG12 1
   ATOM 1753 HG13 . ILE A 122 ? -17.80885 4.83307 -12.22620 1.000 21.63517 H ? A ? 110 HG13 1
   ATOM 1754 HG21 . ILE A 122 ? -18.34273 3.73950 -14.39328 1.000 16.10568 H ? A ? 110 HG21 1
   ATOM 1755 HG22 . ILE A 122 ? -19.81545 3.83422 -14.98120 1.000 16.10568 H ? A ? 110 HG22 1
   ATOM 1756 HG23 . ILE A 122 ? -18.77909 5.00964 -15.24172 1.000 16.10568 H ? A ? 110 HG23 1
   ATOM 1757 HD11 . ILE A 122 ? -16.74015 6.82642 -12.75023 1.000 24.81778 H ? A ? 110 HD11 1
   ATOM 1758 HD12 . ILE A 122 ? -17.00711 5.95056 -14.04835 1.000 24.81778 H ? A ? 110 HD12 1
   ATOM 1759 HD13 . ILE A 122 ? -17.93958 7.19517 -13.72435 1.000 24.81778 H ? A ? 110 HD13 1
   ATOM 1760 N . PRO A 123 ? -22.04307 5.97217 -15.64678 1.000 13.67435 N ? A ? 111 N 1
   ATOM 1761 CA . PRO A 123 ? -23.21306 5.44419 -16.36051 1.000 12.17101 C ? A ? 111 CA 1
   ATOM 1762 C . PRO A 123 ? -23.03346 3.98386 -16.72146 1.000 15.82225 C ? A ? 111 C 1
   ATOM 1763 O . PRO A 123 ? -21.93199 3.42275 -16.66888 1.000 12.52770 O ? A ? 111 O 1
   ATOM 1764 CB . PRO A 123 ? -23.27262 6.27923 -17.64495 1.000 18.95923 C ? A ? 111 CB 1
   ATOM 1765 CG . PRO A 123 ? -22.39848 7.44072 -17.41603 1.000 23.90534 C ? A ? 111 CG 1
   ATOM 1766 CD . PRO A 123 ? -21.36792 7.03374 -16.41074 1.000 14.61183 C ? A ? 111 CD 1
   ATOM 1767 HA . PRO A 123 ? -24.01034 5.57504 -15.82374 1.000 14.62310 H ? A ? 111 HA 1
   ATOM 1768 HB2 . PRO A 123 ? -22.95231 5.75054 -18.39247 1.000 22.76896 H ? A ? 111 HB2 1
   ATOM 1769 HB3 . PRO A 123 ? -24.18582 6.56346 -17.80678 1.000 22.76896 H ? A ? 111 HB3 1
   ATOM 1770 HG2 . PRO A 123 ? -21.97459 7.69279 -18.25130 1.000 28.70430 H ? A ? 111 HG2 1
   ATOM 1771 HG3 . PRO A 123 ? -22.92826 8.17906 -17.07679 1.000 28.70430 H ? A ? 111 HG3 1
   ATOM 1772 HD2 . PRO A 123 ? -20.57344 6.69157 -16.84962 1.000 17.55209 H ? A ? 111 HD2 1
   ATOM 1773 HD3 . PRO A 123 ? -21.13412 7.77844 -15.83485 1.000 17.55209 H ? A ? 111 HD3 1
   ATOM 1774 N . SER A 124 ? -24.14889 3.37438 -17.12863 1.000 14.39024 N ? A ? 112 N 1
   ATOM 1775 CA . SER A 124 ? -24.14100 2.04328 -17.69859 1.000 13.32837 C ? A ? 112 CA 1
   ATOM 1776 C . SER A 124 ? -23.23449 2.01156 -18.92195 1.000 11.39678 C ? A ? 112 C 1
   ATOM 1777 O . SER A 124 ? -23.26695 2.91918 -19.76418 1.000 13.63213 O ? A ? 112 O 1
   ATOM 1778 CB . SER A 124 ? -25.56871 1.65978 -18.12499 1.000 13.89355 C ? A ? 112 CB 1
   ATOM 1779 OG . SER A 124 ? -25.60233 0.38947 -18.73771 1.000 17.77406 O ? A ? 112 OG 1
   ATOM 1780 H . SER A 124 ? -24.93384 3.72260 -17.08181 1.000 17.28617 H ? A ? 112 H 1
   ATOM 1781 HA . SER A 124 ? -23.81948 1.40478 -17.04296 1.000 16.01194 H ? A ? 112 HA 1
   ATOM 1782 HB2 . SER A 124 ? -26.13643 1.64315 -17.33865 1.000 16.69015 H ? A ? 112 HB2 1
   ATOM 1783 HB3 . SER A 124 ? -25.89506 2.32035 -18.75589 1.000 16.69015 H ? A ? 112 HB3 1
   ATOM 1784 HG . SER A 124 ? -26.39821 0.14297 -18.84447 1.000 21.34676 H ? A ? 112 HG 1
   ATOM 1785 N . ASN A 125 ? -22.44336 0.94908 -19.03154 1.000 11.55201 N ? A ? 113 N 1
   ATOM 1786 CA . ASN A 125 ? -21.65140 0.67721 -20.23573 1.000 12.25280 C ? A ? 113 CA 1
   ATOM 1787 C . ASN A 125 ? -20.67979 1.80420 -20.58268 1.000 13.12867 C ? A ? 113 C 1
   ATOM 1788 O . ASN A 125 ? -20.51005 2.16760 -21.75277 1.000 13.72993 O ? A ? 113 O 1
   ATOM 1789 CB . ASN A 125 ? -22.53777 0.30646 -21.42501 1.000 14.22784 C ? A ? 113 CB 1
   ATOM 1790 CG . ASN A 125 ? -23.15759 -1.05145 -21.25232 1.000 17.28143 C ? A ? 113 CG 1
   ATOM 1791 OD1 . ASN A 125 ? -22.54289 -1.95246 -20.67723 1.000 19.24325 O ? A ? 113 OD1 1
   ATOM 1792 ND2 . ASN A 125 ? -24.38403 -1.21362 -21.74922 1.000 25.17165 N ? A ? 113 ND2 1
   ATOM 1793 H . ASN A 125 ? -22.34389 0.35884 -18.41402 1.000 13.88030 H ? A ? 113 H 1
   ATOM 1794 HA . ASN A 125 ? -21.09431 -0.09167 -20.03728 1.000 14.72125 H ? A ? 113 HA 1
   ATOM 1795 HB2 . ASN A 125 ? -23.25104 0.95851 -21.50851 1.000 17.09130 H ? A ? 113 HB2 1
   ATOM 1796 HB3 . ASN A 125 ? -22.00153 0.29601 -22.23324 1.000 17.09130 H ? A ? 113 HB3 1
   ATOM 1797 HD21 . ASN A 125 ? -24.78100 -1.97292 -21.67529 1.000 30.22387 H ? A ? 113 HD21 1
   ATOM 1798 HD22 . ASN A 125 ? -24.77820 -0.55893 -22.14369 1.000 30.22387 H ? A ? 113 HD22 1
   ATOM 1799 N . ALA A 126 ? -20.00161 2.34190 -19.56931 1.000 11.06565 N ? A ? 114 N 1
   ATOM 1800 CA . ALA A 126 ? -19.07398 3.45390 -19.76637 1.000 9.91097 C ? A ? 114 CA 1
   ATOM 1801 C . ALA A 126 ? -17.65795 2.94823 -20.01141 1.000 9.76029 C ? A ? 114 C 1
   ATOM 1802 O . ALA A 126 ? -17.20164 1.99422 -19.37341 1.000 10.12226 O ? A ? 114 O 1
   ATOM 1803 CB . ALA A 126 ? -19.06313 4.33281 -18.52157 1.000 12.48523 C ? A ? 114 CB 1
   ATOM 1804 H . ALA A 126 ? -20.06224 2.07815 -18.75300 1.000 13.29666 H ? A ? 114 H 1
   ATOM 1805 HA . ALA A 126 ? -19.35444 3.96815 -20.53954 1.000 11.91105 H ? A ? 114 HA 1
   ATOM 1806 HB1 . ALA A 126 ? -18.41890 5.04738 -18.64512 1.000 15.00016 H ? A ? 114 HB1 1
   ATOM 1807 HB2 . ALA A 126 ? -19.94909 4.70526 -18.39022 1.000 15.00016 H ? A ? 114 HB2 1
   ATOM 1808 HB3 . ALA A 126 ? -18.81465 3.79223 -17.75546 1.000 15.00016 H ? A ? 114 HB3 1
   ATOM 1809 N . THR A 127 ? -16.96792 3.59307 -20.95275 1.000 9.52330 N ? A ? 115 N 1
   ATOM 1810 CA . THR A 127 ? -15.53671 3.41316 -21.15689 1.000 9.79990 C ? A ? 115 CA 1
   ATOM 1811 C . THR A 127 ? -14.81637 4.49731 -20.36386 1.000 9.88950 C ? A ? 115 C 1
   ATOM 1812 O . THR A 127 ? -15.21780 5.67089 -20.36281 1.000 9.62046 O ? A ? 115 O 1
   ATOM 1813 CB . THR A 127 ? -15.21211 3.52303 -22.64108 1.000 9.59578 C ? A ? 115 CB 1
   ATOM 1814 OG1 . THR A 127 ? -15.79390 2.40962 -23.32794 1.000 11.89218 O ? A ? 115 OG1 1
   ATOM 1815 CG2 . THR A 127 ? -13.73134 3.48194 -22.88872 1.000 9.67203 C ? A ? 115 CG2 1
   ATOM 1816 H . THR A 127 ? -17.31929 4.15575 -21.50004 1.000 11.44585 H ? A ? 115 H 1
   ATOM 1817 HA . THR A 127 ? -15.23500 2.54261 -20.85355 1.000 11.77777 H ? A ? 115 HA 1
   ATOM 1818 HB . THR A 127 ? -15.55969 4.36613 -22.97166 1.000 11.53283 H ? A ? 115 HB 1
   ATOM 1819 HG1 . THR A 127 ? -16.41626 2.08204 -22.86863 1.000 14.28850 H ? A ? 115 HG1 1
   ATOM 1820 HG21 . THR A 127 ? -13.55595 3.40892 -23.83993 1.000 11.62433 H ? A ? 115 HG21 1
   ATOM 1821 HG22 . THR A 127 ? -13.31628 4.29198 -22.55336 1.000 11.62433 H ? A ? 115 HG22 1
   ATOM 1822 HG23 . THR A 127 ? -13.34051 2.71769 -22.43697 1.000 11.62433 H ? A ? 115 HG23 1
   ATOM 1823 N A LEU A 128 ? -13.77927 4.09169 -19.64549 0.283 7.73565 N ? A ? 116 N 1
   ATOM 1824 CA A LEU A 128 ? -12.98994 4.99592 -18.82981 0.283 7.88149 C ? A ? 116 CA 1
   ATOM 1825 C A LEU A 128 ? -11.63388 5.23131 -19.47946 0.283 6.23624 C ? A ? 116 C 1
   ATOM 1826 O A LEU A 128 ? -11.18420 4.47313 -20.34155 0.283 7.47535 O ? A ? 116 O 1
   ATOM 1827 CB A LEU A 128 ? -12.79414 4.43051 -17.41886 0.283 8.50788 C ? A ? 116 CB 1
   ATOM 1828 CG A LEU A 128 ? -14.07056 4.33116 -16.58714 0.283 3.46291 C ? A ? 116 CG 1
   ATOM 1829 CD1 A LEU A 128 ? -13.79034 3.69871 -15.23371 0.283 7.17658 C ? A ? 116 CD1 1
   ATOM 1830 CD2 A LEU A 128 ? -14.72494 5.68320 -16.39820 0.283 14.52331 C ? A ? 116 CD2 1
   ATOM 1831 H A LEU A 128 ? -13.50816 3.27611 -19.61502 0.283 9.30067 H ? A ? 116 H 1
   ATOM 1832 HA A LEU A 128 ? -13.44916 5.84712 -18.75582 0.283 9.47568 H ? A ? 116 HA 1
   ATOM 1833 HB2 A LEU A 128 ? -12.42397 3.53712 -17.49449 0.283 10.22734 H ? A ? 116 HB2 1
   ATOM 1834 HB3 A LEU A 128 ? -12.17710 5.00586 -16.94018 0.283 10.22734 H ? A ? 116 HB3 1
   ATOM 1835 HG A LEU A 128 ? -14.69224 3.76568 -17.07154 0.283 4.17338 H ? A ? 116 HG 1
   ATOM 1836 HD11 A LEU A 128 ? -14.62977 3.57205 -14.76445 0.283 8.62978 H ? A ? 116 HD11 1
   ATOM 1837 HD12 A LEU A 128 ? -13.35472 2.84270 -15.36925 0.283 8.62978 H ? A ? 116 HD12 1
   ATOM 1838 HD13 A LEU A 128 ? -13.21187 4.28719 -14.72383 0.283 8.62978 H ? A ? 116 HD13 1
   ATOM 1839 HD21 A LEU A 128 ? -15.42536 5.60468 -15.73175 0.283 17.44585 H ? A ? 116 HD21 1
   ATOM 1840 HD22 A LEU A 128 ? -14.05555 6.31929 -16.10118 0.283 17.44585 H ? A ? 116 HD22 1
   ATOM 1841 HD23 A LEU A 128 ? -15.10342 5.97175 -17.24342 0.283 17.44585 H ? A ? 116 HD23 1
   ATOM 1842 N B LEU A 128 ? -13.74463 4.09950 -19.68423 0.717 7.97012 N ? A ? 116 N 1
   ATOM 1843 CA B LEU A 128 ? -12.98207 4.97182 -18.80419 0.717 7.77208 C ? A ? 116 CA 1
   ATOM 1844 C B LEU A 128 ? -11.55176 5.13195 -19.30100 0.717 6.25670 C ? A ? 116 C 1
   ATOM 1845 O B LEU A 128 ? -10.94759 4.19696 -19.84962 0.717 6.66577 O ? A ? 116 O 1
   ATOM 1846 CB B LEU A 128 ? -12.91690 4.38543 -17.39754 0.717 8.04161 C ? A ? 116 CB 1
   ATOM 1847 CG B LEU A 128 ? -14.23864 3.89136 -16.84507 0.717 10.66350 C ? A ? 116 CG 1
   ATOM 1848 CD1 B LEU A 128 ? -13.98629 3.27532 -15.47795 0.717 11.67957 C ? A ? 116 CD1 1
   ATOM 1849 CD2 B LEU A 128 ? -15.24953 4.99644 -16.75496 0.717 9.38494 C ? A ? 116 CD2 1
   ATOM 1850 H B LEU A 128 ? -13.43057 3.29967 -19.71953 0.717 9.58204 H ? A ? 116 H 1
   ATOM 1851 HA B LEU A 128 ? -13.40678 5.84381 -18.79127 0.717 9.34438 H ? A ? 116 HA 1
   ATOM 1852 HB2 B LEU A 128 ? -12.30605 3.63201 -17.40820 0.717 9.66782 H ? A ? 116 HB2 1
   ATOM 1853 HB3 B LEU A 128 ? -12.58774 5.07091 -16.79531 0.717 9.66782 H ? A ? 116 HB3 1
   ATOM 1854 HG B LEU A 128 ? -14.61515 3.22498 -17.44095 0.717 12.81409 H ? A ? 116 HG 1
   ATOM 1855 HD11 B LEU A 128 ? -14.81097 2.88269 -15.15140 0.717 14.03337 H ? A ? 116 HD11 1
   ATOM 1856 HD12 B LEU A 128 ? -13.30419 2.59069 -15.56111 0.717 14.03337 H ? A ? 116 HD12 1
   ATOM 1857 HD13 B LEU A 128 ? -13.68647 3.96878 -14.86956 0.717 14.03337 H ? A ? 116 HD13 1
   ATOM 1858 HD21 B LEU A 128 ? -16.02964 4.67270 -16.27798 0.717 11.27981 H ? A ? 116 HD21 1
   ATOM 1859 HD22 B LEU A 128 ? -14.85754 5.74494 -16.27851 0.717 11.27981 H ? A ? 116 HD22 1
   ATOM 1860 HD23 B LEU A 128 ? -15.49970 5.26947 -17.65149 0.717 11.27981 H ? A ? 116 HD23 1
   ATOM 1861 N . PHE A 129 ? -10.99362 6.31090 -19.05189 1.000 6.44120 N ? A ? 117 N 1
   ATOM 1862 CA . PHE A 129 ? -9.61884 6.62931 -19.41821 1.000 6.62459 C ? A ? 117 CA 1
   ATOM 1863 C . PHE A 129 ? -8.84739 7.08197 -18.18505 1.000 7.83562 C ? A ? 117 C 1
   ATOM 1864 O . PHE A 129 ? -9.32089 7.93066 -17.41947 1.000 8.68316 O ? A ? 117 O 1
   ATOM 1865 CB . PHE A 129 ? -9.58754 7.74683 -20.48095 1.000 7.48683 C ? A ? 117 CB 1
   ATOM 1866 CG . PHE A 129 ? -8.20688 8.16067 -20.86100 1.000 8.60965 C ? A ? 117 CG 1
   ATOM 1867 CD1 . PHE A 129 ? -7.50925 7.49212 -21.83532 1.000 10.10790 C ? A ? 117 CD1 1
   ATOM 1868 CD2 . PHE A 129 ? -7.58010 9.18816 -20.18371 1.000 10.51925 C ? A ? 117 CD2 1
   ATOM 1869 CE1 . PHE A 129 ? -6.19870 7.86602 -22.14912 1.000 13.64159 C ? A ? 117 CE1 1
   ATOM 1870 CE2 . PHE A 129 ? -6.25851 9.54437 -20.48087 1.000 10.07785 C ? A ? 117 CE2 1
   ATOM 1871 CZ . PHE A 129 ? -5.59575 8.88561 -21.46796 1.000 12.07915 C ? A ? 117 CZ 1
   ATOM 1872 HA . PHE A 129 ? -9.18983 5.83390 -19.77058 1.000 7.96740 H ? A ? 117 HA 1
   ATOM 1873 HB2 . PHE A 129 ? -10.03493 7.43092 -21.28154 1.000 9.00208 H ? A ? 117 HB2 1
   ATOM 1874 HB3 . PHE A 129 ? -10.04629 8.52618 -20.13016 1.000 9.00208 H ? A ? 117 HB3 1
   ATOM 1875 HD1 . PHE A 129 ? -7.91015 6.78648 -22.28947 1.000 12.14737 H ? A ? 117 HD1 1
   ATOM 1876 HD2 . PHE A 129 ? -8.04176 9.64978 -19.52139 1.000 12.64098 H ? A ? 117 HD2 1
   ATOM 1877 HE1 . PHE A 129 ? -5.73703 7.42021 -22.82218 1.000 16.38780 H ? A ? 117 HE1 1
   ATOM 1878 HE2 . PHE A 129 ? -5.83826 10.22542 -20.00710 1.000 12.11130 H ? A ? 117 HE2 1
   ATOM 1879 HZ . PHE A 129 ? -4.72448 9.13093 -21.68155 1.000 14.51287 H ? A ? 117 HZ 1
   ATOM 1880 H A PHE A 129 ? -11.34590 6.89631 -18.52959 0.283 7.74733 H ? A ? 117 H 1
   ATOM 1881 H B PHE A 129 ? -11.40214 6.95919 -18.66146 0.717 7.74733 H ? A ? 117 H 1
   ATOM 1882 N . PHE A 130 ? -7.63734 6.55208 -18.01334 1.000 6.60410 N ? A ? 118 N 1
   ATOM 1883 CA . PHE A 130 ? -6.79033 6.91121 -16.89075 1.000 7.13693 C ? A ? 118 CA 1
   ATOM 1884 C . PHE A 130 ? -5.37136 7.22292 -17.34271 1.000 7.33671 C ? A ? 118 C 1
   ATOM 1885 O . PHE A 130 ? -4.83253 6.58182 -18.24823 1.000 6.48726 O ? A ? 118 O 1
   ATOM 1886 CB . PHE A 130 ? -6.66596 5.77017 -15.86891 1.000 5.68427 C ? A ? 118 CB 1
   ATOM 1887 CG . PHE A 130 ? -7.96416 5.35580 -15.24319 1.000 6.88969 C ? A ? 118 CG 1
   ATOM 1888 CD1 . PHE A 130 ? -8.41381 5.96894 -14.09486 1.000 8.73378 C ? A ? 118 CD1 1
   ATOM 1889 CD2 . PHE A 130 ? -8.72118 4.34671 -15.79001 1.000 6.54722 C ? A ? 118 CD2 1
   ATOM 1890 CE1 . PHE A 130 ? -9.62674 5.57393 -13.51150 1.000 7.50647 C ? A ? 118 CE1 1
   ATOM 1891 CE2 . PHE A 130 ? -9.92253 3.93060 -15.20349 1.000 7.83986 C ? A ? 118 CE2 1
   ATOM 1892 CZ . PHE A 130 ? -10.37411 4.56188 -14.06862 1.000 8.13069 C ? A ? 118 CZ 1
   ATOM 1893 H . PHE A 130 ? -7.28484 5.97461 -18.54426 1.000 7.94280 H ? A ? 118 H 1
   ATOM 1894 HA . PHE A 130 ? -7.18790 7.69775 -16.48553 1.000 8.58220 H ? A ? 118 HA 1
   ATOM 1895 HB2 . PHE A 130 ? -6.29455 4.99353 -16.31588 1.000 6.83901 H ? A ? 118 HB2 1
   ATOM 1896 HB3 . PHE A 130 ? -6.07458 6.05672 -15.15543 1.000 6.83901 H ? A ? 118 HB3 1
   ATOM 1897 HD1 . PHE A 130 ? -7.91139 6.64739 -13.70476 1.000 10.49843 H ? A ? 118 HD1 1
   ATOM 1898 HD2 . PHE A 130 ? -8.42818 3.93045 -16.56833 1.000 7.87455 H ? A ? 118 HD2 1
   ATOM 1899 HE1 . PHE A 130 ? -9.92833 5.99969 -12.74164 1.000 9.02565 H ? A ? 118 HE1 1
   ATOM 1900 HE2 . PHE A 130 ? -10.41072 3.23337 -15.57825 1.000 9.42571 H ? A ? 118 HE2 1
   ATOM 1901 HZ . PHE A 130 ? -11.17952 4.30647 -13.68004 1.000 9.77472 H ? A ? 118 HZ 1
   ATOM 1902 N . GLU A 131 ? -4.75778 8.17655 -16.65585 1.000 6.73034 N ? A ? 119 N 1
   ATOM 1903 CA . GLU A 131 ? -3.32195 8.40601 -16.68823 1.000 5.88642 C ? A ? 119 CA 1
   ATOM 1904 C . GLU A 131 ? -2.79541 7.99052 -15.32283 1.000 6.35286 C ? A ? 119 C 1
   ATOM 1905 O . GLU A 131 ? -3.24143 8.52771 -14.29301 1.000 7.89289 O ? A ? 119 O 1
   ATOM 1906 CB . GLU A 131 ? -2.98641 9.86484 -16.97552 1.000 6.29371 C ? A ? 119 CB 1
   ATOM 1907 CG . GLU A 131 ? -1.50990 10.18547 -16.98639 1.000 6.60412 C ? A ? 119 CG 1
   ATOM 1908 CD . GLU A 131 ? -1.25622 11.60305 -17.45453 1.000 9.09901 C ? A ? 119 CD 1
   ATOM 1909 OE1 . GLU A 131 ? -1.33703 11.87579 -18.66444 1.000 7.28921 O ? A ? 119 OE1 1
   ATOM 1910 OE2 . GLU A 131 ? -0.97529 12.48726 -16.60188 1.000 10.77291 O ? A ? 119 OE2 1
   ATOM 1911 H . GLU A 131 ? -5.17128 8.72760 -16.14110 1.000 8.09430 H ? A ? 119 H 1
   ATOM 1912 HA . GLU A 131 ? -2.90590 7.87876 -17.38808 1.000 7.08159 H ? A ? 119 HA 1
   ATOM 1913 HB2 . GLU A 131 ? -3.34153 10.09620 -17.84802 1.000 7.57034 H ? A ? 119 HB2 1
   ATOM 1914 HB3 . GLU A 131 ? -3.39950 10.41588 -16.29244 1.000 7.57034 H ? A ? 119 HB3 1
   ATOM 1915 HG2 . GLU A 131 ? -1.15403 10.09156 -16.08893 1.000 7.94283 H ? A ? 119 HG2 1
   ATOM 1916 HG3 . GLU A 131 ? -1.05357 9.57805 -17.58947 1.000 7.94283 H ? A ? 119 HG3 1
   ATOM 1917 N . ILE A 132 ? -1.91728 6.98509 -15.29346 1.000 6.79700 N ? A ? 120 N 1
   ATOM 1918 CA . ILE A 132 ? -1.51060 6.33678 -14.05563 1.000 6.32874 C ? A ? 120 CA 1
   ATOM 1919 C . ILE A 132 ? -0.00297 6.37538 -13.91888 1.000 6.20391 C ? A ? 120 C 1
   ATOM 1920 O . ILE A 132 ? 0.71782 5.96523 -14.84628 1.000 6.68448 O ? A ? 120 O 1
   ATOM 1921 CB . ILE A 132 ? -1.94705 4.85719 -14.04137 1.000 6.77341 C ? A ? 120 CB 1
   ATOM 1922 CG1 . ILE A 132 ? -3.44123 4.73010 -14.29158 1.000 7.70779 C ? A ? 120 CG1 1
   ATOM 1923 CG2 . ILE A 132 ? -1.57734 4.21315 -12.71170 1.000 9.64859 C ? A ? 120 CG2 1
   ATOM 1924 CD1 . ILE A 132 ? -3.91649 3.29224 -14.47624 1.000 9.96695 C ? A ? 120 CD1 1
   ATOM 1925 H . ILE A 132 ? -1.53952 6.65895 -15.99384 1.000 8.17429 H ? A ? 120 H 1
   ATOM 1926 HA . ILE A 132 ? -1.90715 6.83076 -13.32103 1.000 7.61238 H ? A ? 120 HA 1
   ATOM 1927 HB . ILE A 132 ? -1.47976 4.39783 -14.75659 1.000 8.14599 H ? A ? 120 HB 1
   ATOM 1928 HG12 . ILE A 132 ? -3.91683 5.10344 -13.53309 1.000 9.26724 H ? A ? 120 HG12 1
   ATOM 1929 HG13 . ILE A 132 ? -3.66483 5.22108 -15.09772 1.000 9.26724 H ? A ? 120 HG13 1
   ATOM 1930 HG21 . ILE A 132 ? -1.95294 3.31944 -12.67843 1.000 11.59620 H ? A ? 120 HG21 1
   ATOM 1931 HG22 . ILE A 132 ? -0.61100 4.16870 -12.64020 1.000 11.59620 H ? A ? 120 HG22 1
   ATOM 1932 HG23 . ILE A 132 ? -1.93810 4.75067 -11.98932 1.000 11.59620 H ? A ? 120 HG23 1
   ATOM 1933 HD11 . ILE A 132 ? -4.83010 3.30099 -14.80203 1.000 11.97823 H ? A ? 120 HD11 1
   ATOM 1934 HD12 . ILE A 132 ? -3.34042 2.84927 -15.11875 1.000 11.97823 H ? A ? 120 HD12 1
   ATOM 1935 HD13 . ILE A 132 ? -3.87410 2.83353 -13.62260 1.000 11.97823 H ? A ? 120 HD13 1
   ATOM 1936 N . GLU A 133 ? 0.49492 6.77613 -12.74946 1.000 6.72219 N ? A ? 121 N 1
   ATOM 1937 CA . GLU A 133 ? 1.91114 6.74995 -12.39895 1.000 8.36667 C ? A ? 121 CA 1
   ATOM 1938 C . GLU A 133 ? 2.10323 5.75005 -11.26178 1.000 7.30458 C ? A ? 121 C 1
   ATOM 1939 O . GLU A 133 ? 1.49592 5.89615 -10.19433 1.000 8.58052 O ? A ? 121 O 1
   ATOM 1940 CB . GLU A 133 ? 2.39090 8.13487 -11.94541 1.000 8.58575 C ? A ? 121 CB 1
   ATOM 1941 CG . GLU A 133 ? 3.83366 8.13243 -11.51956 1.000 9.62789 C ? A ? 121 CG 1
   ATOM 1942 CD . GLU A 133 ? 4.40166 9.49828 -11.22918 1.000 10.68322 C ? A ? 121 CD 1
   ATOM 1943 OE1 . GLU A 133 ? 3.73139 10.50689 -11.45555 1.000 14.30872 O ? A ? 121 OE1 1
   ATOM 1944 OE2 . GLU A 133 ? 5.56770 9.53395 -10.76637 1.000 12.15443 O ? A ? 121 OE2 1
   ATOM 1945 H . GLU A 133 ? 0.00559 7.08242 -12.11200 1.000 8.08452 H ? A ? 121 H 1
   ATOM 1946 HA . GLU A 133 ? 2.42999 6.47101 -13.16960 1.000 10.05789 H ? A ? 121 HA 1
   ATOM 1947 HB2 . GLU A 133 ? 2.29454 8.76002 -12.68080 1.000 10.32078 H ? A ? 121 HB2 1
   ATOM 1948 HB3 . GLU A 133 ? 1.85427 8.42468 -11.19113 1.000 10.32078 H ? A ? 121 HB3 1
   ATOM 1949 HG2 . GLU A 133 ? 3.91673 7.60307 -10.71099 1.000 11.57136 H ? A ? 121 HG2 1
   ATOM 1950 HG3 . GLU A 133 ? 4.36516 7.73942 -12.22946 1.000 11.57136 H ? A ? 121 HG3 1
   ATOM 1951 N . LEU A 134 ? 2.94443 4.73225 -11.47859 1.000 7.14192 N ? A ? 122 N 1
   ATOM 1952 CA . LEU A 134 ? 3.26100 3.79463 -10.41081 1.000 6.42430 C ? A ? 122 CA 1
   ATOM 1953 C . LEU A 134 ? 4.42003 4.35983 -9.59860 1.000 7.22209 C ? A ? 122 C 1
   ATOM 1954 O . LEU A 134 ? 5.53465 4.50569 -10.11086 1.000 9.72544 O ? A ? 122 O 1
   ATOM 1955 CB . LEU A 134 ? 3.60716 2.42133 -10.98305 1.000 8.11842 C ? A ? 122 CB 1
   ATOM 1956 CG . LEU A 134 ? 3.91787 1.35280 -9.92935 1.000 9.49247 C ? A ? 122 CG 1
   ATOM 1957 CD1 . LEU A 134 ? 2.77563 1.15418 -8.97569 1.000 9.52959 C ? A ? 122 CD1 1
   ATOM 1958 CD2 . LEU A 134 ? 4.29167 0.05453 -10.65355 1.000 10.94866 C ? A ? 122 CD2 1
   ATOM 1959 H . LEU A 134 ? 3.33567 4.57150 -12.22739 1.000 8.58819 H ? A ? 122 H 1
   ATOM 1960 HA . LEU A 134 ? 2.49213 3.69615 -9.82768 1.000 7.72704 H ? A ? 122 HA 1
   ATOM 1961 HB2 . LEU A 134 ? 2.85360 2.10682 -11.50662 1.000 9.75999 H ? A ? 122 HB2 1
   ATOM 1962 HB3 . LEU A 134 ? 4.38973 2.51169 -11.54902 1.000 9.75999 H ? A ? 122 HB3 1
   ATOM 1963 HG . LEU A 134 ? 4.66452 1.63717 -9.37931 1.000 11.40886 H ? A ? 122 HG 1
   ATOM 1964 HD11 . LEU A 134 ? 2.96685 0.39086 -8.40852 1.000 11.45339 H ? A ? 122 HD11 1
   ATOM 1965 HD12 . LEU A 134 ? 2.67455 1.95210 -8.43346 1.000 11.45339 H ? A ? 122 HD12 1
   ATOM 1966 HD13 . LEU A 134 ? 1.96464 0.99424 -9.48324 1.000 11.45339 H ? A ? 122 HD13 1
   ATOM 1967 HD21 . LEU A 134 ? 4.53115 -0.61654 -9.99537 1.000 13.15628 H ? A ? 122 HD21 1
   ATOM 1968 HD22 . LEU A 134 ? 3.53010 -0.24812 -11.17251 1.000 13.15628 H ? A ? 122 HD22 1
   ATOM 1969 HD23 . LEU A 134 ? 5.04478 0.22585 -11.24039 1.000 13.15628 H ? A ? 122 HD23 1
   ATOM 1970 N . LEU A 135 ? 4.15814 4.71214 -8.34346 1.000 7.47083 N ? A ? 123 N 1
   ATOM 1971 CA . LEU A 135 ? 5.17792 5.30722 -7.48129 1.000 9.12515 C ? A ? 123 CA 1
   ATOM 1972 C . LEU A 135 ? 6.09947 4.25718 -6.88727 1.000 10.15157 C ? A ? 123 C 1
   ATOM 1973 O . LEU A 135 ? 7.31973 4.45582 -6.82671 1.000 12.10137 O ? A ? 123 O 1
   ATOM 1974 CB . LEU A 135 ? 4.52896 6.07285 -6.33163 1.000 11.34881 C ? A ? 123 CB 1
   ATOM 1975 CG . LEU A 135 ? 3.51406 7.15327 -6.74889 1.000 10.58543 C ? A ? 123 CG 1
   ATOM 1976 CD1 . LEU A 135 ? 2.77278 7.74016 -5.55705 1.000 13.58958 C ? A ? 123 CD1 1
   ATOM 1977 CD2 . LEU A 135 ? 4.18904 8.26196 -7.54741 1.000 15.28381 C ? A ? 123 CD2 1
   ATOM 1978 H . LEU A 135 ? 3.39315 4.61747 -7.96210 1.000 8.98288 H ? A ? 123 H 1
   ATOM 1979 HA . LEU A 135 ? 5.69464 5.92165 -8.02569 1.000 10.96807 H ? A ? 123 HA 1
   ATOM 1980 HB2 . LEU A 135 ? 4.06070 5.43734 -5.76792 1.000 13.63646 H ? A ? 123 HB2 1
   ATOM 1981 HB3 . LEU A 135 ? 5.22911 6.51298 -5.82470 1.000 13.63646 H ? A ? 123 HB3 1
   ATOM 1982 HG . LEU A 135 ? 2.85405 6.72360 -7.31517 1.000 12.72041 H ? A ? 123 HG 1
   ATOM 1983 HD11 . LEU A 135 ? 2.15350 8.41689 -5.87235 1.000 16.32538 H ? A ? 123 HD11 1
   ATOM 1984 HD12 . LEU A 135 ? 2.28713 7.03132 -5.10695 1.000 16.32538 H ? A ? 123 HD12 1
   ATOM 1985 HD13 . LEU A 135 ? 3.41610 8.13775 -4.94962 1.000 16.32538 H ? A ? 123 HD13 1
   ATOM 1986 HD21 . LEU A 135 ? 3.53319 8.94583 -7.75498 1.000 18.35846 H ? A ? 123 HD21 1
   ATOM 1987 HD22 . LEU A 135 ? 4.90632 8.64188 -7.01630 1.000 18.35846 H ? A ? 123 HD22 1
   ATOM 1988 HD23 . LEU A 135 ? 4.54723 7.88742 -8.36736 1.000 18.35846 H ? A ? 123 HD23 1
   ATOM 1989 N . ASP A 136 ? 5.54343 3.13072 -6.44875 1.000 9.64746 N ? A ? 124 N 1
   ATOM 1990 CA . ASP A 136 ? 6.30153 2.12228 -5.72470 1.000 8.86226 C ? A ? 124 CA 1
   ATOM 1991 C . ASP A 136 ? 5.39892 0.90533 -5.57966 1.000 8.37601 C ? A ? 124 C 1
   ATOM 1992 O . ASP A 136 ? 4.17907 0.98736 -5.76564 1.000 9.17375 O ? A ? 124 O 1
   ATOM 1993 CB . ASP A 136 ? 6.74909 2.67601 -4.35364 1.000 10.83600 C ? A ? 124 CB 1
   ATOM 1994 CG . ASP A 136 ? 7.88965 1.90117 -3.72009 1.000 14.20386 C ? A ? 124 CG 1
   ATOM 1995 OD1 . ASP A 136 ? 8.44100 0.98672 -4.32979 1.000 12.30776 O ? A ? 124 OD1 1
   ATOM 1996 OD2 . ASP A 136 ? 8.19917 2.24318 -2.55031 1.000 24.75245 O ? A ? 124 OD2 1
   ATOM 1997 H . ASP A 136 ? 4.71558 2.92673 -6.56125 1.000 11.59484 H ? A ? 124 H 1
   ATOM 1998 HA . ASP A 136 ? 7.09219 1.85206 -6.21739 1.000 10.65260 H ? A ? 124 HA 1
   ATOM 1999 HB2 . ASP A 136 ? 7.04357 3.59301 -4.46893 1.000 13.02109 H ? A ? 124 HB2 1
   ATOM 2000 HB3 . ASP A 136 ? 5.99571 2.64373 -3.74349 1.000 13.02109 H ? A ? 124 HB3 1
   ATOM 2001 N . PHE A 137 ? 6.00910 -0.21857 -5.20674 1.000 9.74739 N ? A ? 125 N 1
   ATOM 2002 CA . PHE A 137 ? 5.25058 -1.37434 -4.78729 1.000 8.27285 C ? A ? 125 CA 1
   ATOM 2003 C . PHE A 137 ? 6.11294 -2.17653 -3.83350 1.000 10.72228 C ? A ? 125 C 1
   ATOM 2004 O . PHE A 137 ? 7.34446 -2.12202 -3.90733 1.000 11.57618 O ? A ? 125 O 1
   ATOM 2005 CB . PHE A 137 ? 4.73006 -2.22696 -5.94690 1.000 8.89476 C ? A ? 125 CB 1
   ATOM 2006 CG . PHE A 137 ? 5.77677 -2.86763 -6.79614 1.000 9.44066 C ? A ? 125 CG 1
   ATOM 2007 CD1 . PHE A 137 ? 6.24380 -4.14313 -6.48958 1.000 11.80492 C ? A ? 125 CD1 1
   ATOM 2008 CD2 . PHE A 137 ? 6.23725 -2.24097 -7.93038 1.000 13.14804 C ? A ? 125 CD2 1
   ATOM 2009 CE1 . PHE A 137 ? 7.18839 -4.76550 -7.29100 1.000 14.53027 C ? A ? 125 CE1 1
   ATOM 2010 CE2 . PHE A 137 ? 7.17812 -2.86976 -8.74970 1.000 17.37753 C ? A ? 125 CE2 1
   ATOM 2011 CZ . PHE A 137 ? 7.65822 -4.13040 -8.40582 1.000 13.16542 C ? A ? 125 CZ 1
   ATOM 2012 H . PHE A 137 ? 6.86193 -0.32830 -5.19092 1.000 11.71476 H ? A ? 125 H 1
   ATOM 2013 HA . PHE A 137 ? 4.45546 -1.08291 -4.31426 1.000 9.94531 H ? A ? 125 HA 1
   ATOM 2014 HB2 . PHE A 137 ? 4.18145 -2.93792 -5.58021 1.000 10.69160 H ? A ? 125 HB2 1
   ATOM 2015 HB3 . PHE A 137 ? 4.19599 -1.66077 -6.52577 1.000 10.69160 H ? A ? 125 HB3 1
   ATOM 2016 HD1 . PHE A 137 ? 5.91796 -4.58301 -5.73776 1.000 14.18379 H ? A ? 125 HD1 1
   ATOM 2017 HD2 . PHE A 137 ? 5.92105 -1.39517 -8.15293 1.000 15.79553 H ? A ? 125 HD2 1
   ATOM 2018 HE1 . PHE A 137 ? 7.50142 -5.61300 -7.07043 1.000 17.45422 H ? A ? 125 HE1 1
   ATOM 2019 HE2 . PHE A 137 ? 7.48217 -2.44826 -9.52093 1.000 20.87092 H ? A ? 125 HE2 1
   ATOM 2020 HZ . PHE A 137 ? 8.30124 -4.54189 -8.93695 1.000 15.81639 H ? A ? 125 HZ 1
   ATOM 2021 N . LYS A 138 ? 5.45127 -2.91024 -2.95245 1.000 10.33567 N ? A ? 126 N 1
   ATOM 2022 CA . LYS A 138 ? 6.19792 -3.73668 -2.00927 1.000 14.33590 C ? A ? 126 CA 1
   ATOM 2023 C . LYS A 138 ? 5.43173 -5.01065 -1.71625 1.000 14.12584 C ? A ? 126 C 1
   ATOM 2024 O . LYS A 138 ? 4.21332 -5.07905 -1.84845 1.000 12.55343 O ? A ? 126 O 1
   ATOM 2025 CB . LYS A 138 ? 6.59216 -3.00050 -0.73272 1.000 29.25633 C ? A ? 126 CB 1
   ATOM 2026 CG . LYS A 138 ? 5.53843 -2.24944 -0.03024 1.000 30.19314 C ? A ? 126 CG 1
   ATOM 2027 CD . LYS A 138 ? 6.23626 -1.36735 1.01715 1.000 40.18274 C ? A ? 126 CD 1
   ATOM 2028 CE . LYS A 138 ? 5.43453 -0.13624 1.37831 1.000 57.82978 C ? A ? 126 CE 1
   ATOM 2029 NZ . LYS A 138 ? 6.29875 1.02677 1.79006 1.000 49.39098 N ? A ? 126 NZ 1
   ATOM 2030 H . LYS A 138 ? 4.59512 -2.94772 -2.88029 1.000 12.42069 H ? A ? 126 H 1
   ATOM 2031 HA . LYS A 138 ? 7.02879 -3.99639 -2.43717 1.000 17.22097 H ? A ? 126 HA 1
   ATOM 2032 HB2 . LYS A 138 ? 6.93513 -3.65585 -0.10520 1.000 35.12549 H ? A ? 126 HB2 1
   ATOM 2033 HB3 . LYS A 138 ? 7.28712 -2.36294 -0.95953 1.000 35.12549 H ? A ? 126 HB3 1
   ATOM 2034 HG2 . LYS A 138 ? 5.05107 -1.68778 -0.65307 1.000 36.24966 H ? A ? 126 HG2 1
   ATOM 2035 HG3 . LYS A 138 ? 4.92841 -2.85846 0.41458 1.000 36.24966 H ? A ? 126 HG3 1
   ATOM 2036 HD2 . LYS A 138 ? 6.37084 -1.88453 1.82666 1.000 48.23718 H ? A ? 126 HD2 1
   ATOM 2037 HD3 . LYS A 138 ? 7.09116 -1.07452 0.66457 1.000 48.23718 H ? A ? 126 HD3 1
   ATOM 2038 HE2 . LYS A 138 ? 4.91207 0.13737 0.60820 1.000 69.41362 H ? A ? 126 HE2 1
   ATOM 2039 HE3 . LYS A 138 ? 4.84630 -0.34888 2.11970 1.000 69.41362 H ? A ? 126 HE3 1
   ATOM 2040 HZ1 . LYS A 138 ? 5.78865 1.72145 2.01214 1.000 59.28706 H ? A ? 126 HZ1 1
   ATOM 2041 HZ2 . LYS A 138 ? 6.79981 0.80086 2.49006 1.000 59.28706 H ? A ? 126 HZ2 1
   ATOM 2042 HZ3 . LYS A 138 ? 6.83172 1.26306 1.11759 1.000 59.28706 H ? A ? 126 HZ3 1
   ATOM 2043 N . GLY A 139 ? 6.17409 -6.03043 -1.29006 1.000 14.49936 N ? A ? 127 N 1
   ATOM 2044 CA . GLY A 139 ? 5.57541 -7.31853 -0.99574 1.000 15.36073 C ? A ? 127 CA 1
   ATOM 2045 C . GLY A 139 ? 4.65912 -7.29445 0.21420 1.000 18.93279 C ? A ? 127 C 1
   ATOM 2046 O . GLY A 139 ? 4.78401 -6.45496 1.11160 1.000 20.07860 O ? A ? 127 O 1
   ATOM 2047 H . GLY A 139 ? 7.02430 -5.99834 -1.16472 1.000 17.41712 H ? A ? 127 H 1
   ATOM 2048 HA2 . GLY A 139 ? 5.05589 -7.60924 -1.76157 1.000 18.45076 H ? A ? 127 HA2 1
   ATOM 2049 HA3 . GLY A 139 ? 6.27929 -7.96454 -0.82801 1.000 18.45076 H ? A ? 127 HA3 1
   ATOM 2050 N . GLU A 140 ? 3.70247 -8.23210 0.22398 1.000 17.62639 N ? A ? 128 N 1
   ATOM 2051 CA . GLU A 140 ? 2.78390 -8.40279 1.35724 1.000 22.79355 C ? A ? 128 CA 1
   ATOM 2052 C . GLU A 140 ? 3.54146 -8.90415 2.58564 1.000 28.19533 C ? A ? 128 C 1
   ATOM 2053 O . GLU A 140 ? 4.65786 -9.42484 2.45883 1.000 24.63947 O ? A ? 128 O 1
   ATOM 2054 CB . GLU A 140 ? 1.64335 -9.37375 1.00580 1.000 24.58934 C ? A ? 128 CB 1
   ATOM 2055 CG . GLU A 140 ? 2.01248 -10.85807 0.98518 1.000 22.09789 C ? A ? 128 CG 1
   ATOM 2056 CD . GLU A 140 ? 0.82594 -11.76193 0.64110 1.000 45.52523 C ? A ? 128 CD 1
   ATOM 2057 OE1 . GLU A 140 ? -0.33751 -11.29239 0.64856 1.000 44.91581 O ? A ? 128 OE1 1
   ATOM 2058 OE2 . GLU A 140 ? 1.06152 -12.95400 0.35877 1.000 38.73596 O ? A ? 128 OE2 1
   ATOM 2059 H . GLU A 140 ? 3.56407 -8.78614 -0.41906 1.000 21.16956 H ? A ? 128 H 1
   ATOM 2060 HA . GLU A 140 ? 2.38052 -7.54636 1.56870 1.000 27.37015 H ? A ? 128 HA 1
   ATOM 2061 HB2 . GLU A 140 ? 0.93730 -9.26266 1.66157 1.000 29.52510 H ? A ? 128 HB2 1
   ATOM 2062 HB3 . GLU A 140 ? 1.31380 -9.14765 0.12196 1.000 29.52510 H ? A ? 128 HB3 1
   ATOM 2063 HG2 . GLU A 140 ? 2.70210 -11.00255 0.31851 1.000 26.53536 H ? A ? 128 HG2 1
   ATOM 2064 HG3 . GLU A 140 ? 2.33958 -11.11414 1.86173 1.000 26.53536 H ? A ? 128 HG3 1
   HETATM 2065 N . 37L A 201 ? -11.51678 4.32957 -10.15498 1.000 6.80819 N ? B ? . N 1
   HETATM 2066 CA . 37L A 201 ? -11.25642 2.91812 -10.39352 1.000 7.30737 C ? B ? . CA 1
   HETATM 2067 C . 37L A 201 ? -11.74220 2.00092 -9.26969 1.000 8.82784 C ? B ? . C 1
   HETATM 2068 O . 37L A 201 ? -11.41739 0.84100 -9.18579 1.000 8.05510 O ? B ? . O 1
   HETATM 2069 CB . 37L A 201 ? -9.77369 2.60230 -10.60210 1.000 8.78601 C ? B ? . CB 1
   HETATM 2070 CAA . 37L A 201 ? -12.92196 8.06548 -13.60017 1.000 22.94019 C ? B ? . CAA 1
   HETATM 2071 CAB . 37L A 201 ? -13.82826 -5.21002 -7.85597 1.000 17.09996 C ? B ? . CAB 1
   HETATM 2072 CAC . 37L A 201 ? -17.90808 -2.23677 -8.39693 1.000 23.98545 C ? B ? . CAC 1
   HETATM 2073 CAD . 37L A 201 ? -11.98503 8.60497 -5.93105 1.000 12.45710 C ? B ? . CAD 1
   HETATM 2074 CAE . 37L A 201 ? -17.10887 4.16435 -8.39461 1.000 11.20941 C ? B ? . CAE 1
   HETATM 2075 CAF . 37L A 201 ? -16.41007 7.36149 -5.28056 1.000 16.85805 C ? B ? . CAF 1
   HETATM 2076 CAK . 37L A 201 ? -13.11113 7.01190 -12.83913 1.000 13.95471 C ? B ? . CAK 1
   HETATM 2077 CAL . 37L A 201 ? -11.45329 4.38304 -4.80162 1.000 8.12944 C ? B ? . CAL 1
   HETATM 2078 CAM . 37L A 201 ? -10.48953 3.64456 -4.15576 1.000 8.76633 C ? B ? . CAM 1
   HETATM 2079 CAN . 37L A 201 ? -12.22816 3.82243 -5.76818 1.000 8.99106 C ? B ? . CAN 1
   HETATM 2080 CAO . 37L A 201 ? -13.81257 -1.45312 -6.12035 1.000 9.56834 C ? B ? . CAO 1
   HETATM 2081 CAP . 37L A 201 ? -13.76759 -2.74100 -6.63514 1.000 12.50548 C ? B ? . CAP 1
   HETATM 2082 CAQ . 37L A 201 ? -15.81560 -0.99496 -7.28302 1.000 16.86961 C ? B ? . CAQ 1
   HETATM 2083 CAR . 37L A 201 ? -11.11118 1.73172 -5.40267 1.000 7.38419 C ? B ? . CAR 1
   HETATM 2084 CAS . 37L A 201 ? -13.08240 7.14720 -8.01980 1.000 9.35918 C ? B ? . CAS 1
   HETATM 2085 CAT . 37L A 201 ? -14.76784 5.65845 -8.85764 1.000 10.12544 C ? B ? . CAT 1
   HETATM 2086 CAU . 37L A 201 ? -8.90499 3.17573 -9.50574 1.000 7.96732 C ? B ? . CAU 1
   HETATM 2087 CAV . 37L A 201 ? -9.18131 4.64083 -9.29129 1.000 7.70438 C ? B ? . CAV 1
   HETATM 2088 CAW . 37L A 201 ? -13.80135 6.99690 -11.50797 1.000 10.44286 C ? B ? . CAW 1
   HETATM 2089 CAX . 37L A 201 ? -8.44237 2.11609 -3.05735 1.000 12.95735 C ? B ? . CAX 1
   HETATM 2090 CAY . 37L A 201 ? -14.90283 0.83770 -5.90728 1.000 11.03572 C ? B ? . CAY 1
   HETATM 2091 CBA . 37L A 201 ? -14.38631 1.93159 -6.90550 1.000 11.12946 C ? B ? . CBA 1
   HETATM 2092 CBB . 37L A 201 ? -10.65861 4.99319 -9.18283 1.000 9.17044 C ? B ? . CBB 1
   HETATM 2093 CBJ . 37L A 201 ? -9.07551 2.41249 -1.71057 1.000 13.01491 C ? B ? . CBJ 1
   HETATM 2094 CBL . 37L A 201 ? -12.60246 4.89848 -10.74588 1.000 7.16385 C ? B ? . CBL 1
   HETATM 2095 CBM . 37L A 201 ? -14.82204 -0.55999 -6.41906 1.000 10.07812 C ? B ? . CBM 1
   HETATM 2096 CBN . 37L A 201 ? -10.32149 2.29413 -4.43480 1.000 8.59751 C ? B ? . CBN 1
   HETATM 2097 CBO . 37L A 201 ? -12.05978 2.47030 -6.05450 1.000 8.07815 C ? B ? . CBO 1
   HETATM 2098 CBP . 37L A 201 ? -13.61005 6.40515 -9.05001 1.000 8.47308 C ? B ? . CBP 1
   HETATM 2099 CBQ . 37L A 201 ? -14.75691 -3.15766 -7.49921 1.000 14.06724 C ? B ? . CBQ 1
   HETATM 2100 CBR . 37L A 201 ? -15.76699 -2.26637 -7.81451 1.000 21.34219 C ? B ? . CBR 1
   HETATM 2101 CBS . 37L A 201 ? -13.68364 7.15570 -6.76052 1.000 10.91817 C ? B ? . CBS 1
   HETATM 2102 CBT . 37L A 201 ? -15.38430 5.66277 -7.61098 1.000 10.80900 C ? B ? . CBT 1
   HETATM 2103 CBU . 37L A 201 ? -14.83755 6.40194 -6.57538 1.000 10.17658 C ? B ? . CBU 1
   HETATM 2104 CBV . 37L A 201 ? -12.90524 1.87133 -7.15798 1.000 10.35622 C ? B ? . CBV 1
   HETATM 2105 CBW . 37L A 201 ? -12.94158 6.35761 -10.42054 1.000 8.47747 C ? B ? . CBW 1
   HETATM 2106 OAG . 37L A 201 ? -10.13435 1.84279 -1.38461 1.000 11.86337 O ? B ? . OAG 1
   HETATM 2107 OAI . 37L A 201 ? -13.31161 4.22167 -11.48313 1.000 8.80829 O ? B ? . OAI 1
   HETATM 2108 OAJ . 37L A 201 ? -8.39980 3.25415 -1.07112 1.000 16.17167 O ? B ? . OAJ 1
   HETATM 2109 OBC . 37L A 201 ? -14.85425 -4.35505 -8.11490 1.000 16.25730 O ? B ? . OBC 1
   HETATM 2110 OBD . 37L A 201 ? -16.67298 -2.78405 -8.65004 1.000 34.82736 O ? B ? . OBD 1
   HETATM 2111 OBE . 37L A 201 ? -13.19085 7.85712 -5.70644 1.000 11.74362 O ? B ? . OBE 1
   HETATM 2112 OBF . 37L A 201 ? -16.52568 4.95813 -7.36101 1.000 11.85977 O ? B ? . OBF 1
   HETATM 2113 OBG . 37L A 201 ? -15.41319 6.40041 -5.32372 1.000 11.81681 O ? B ? . OBG 1
   HETATM 2114 OBH . 37L A 201 ? -9.39688 1.49410 -3.87448 1.000 11.75654 O ? B ? . OBH 1
   HETATM 2115 OBI . 37L A 201 ? -12.54680 2.59558 -8.39284 1.000 8.96217 O ? B ? . OBI 1
   HETATM 2116 H1 . 37L A 201 ? -12.08504 9.25240 -6.64640 1.000 14.96641 H ? B ? . H1 1
   HETATM 2117 H2 . 37L A 201 ? -11.24070 8.03267 -6.17468 1.000 14.96641 H ? B ? . H2 1
   HETATM 2118 H3 . 37L A 201 ? -11.71038 9.09977 -5.14324 1.000 14.96641 H ? B ? . H3 1
   HETATM 2119 H10 . 37L A 201 ? -17.90883 3.70589 -8.09331 1.000 13.46918 H ? B ? . H10 1
   HETATM 2120 H11 . 37L A 201 ? -15.11784 5.16437 -9.56354 1.000 12.16842 H ? B ? . H11 1
   HETATM 2121 H12 . 37L A 201 ? -12.13680 6.89911 -10.42094 1.000 10.19085 H ? B ? . H12 1
   HETATM 2122 H13 . 37L A 201 ? -14.02460 7.90434 -11.24795 1.000 12.54932 H ? B ? . H13 1
   HETATM 2123 H14 . 37L A 201 ? -14.63801 6.51165 -11.58171 1.000 12.54932 H ? B ? . H14 1
   HETATM 2124 H15 . 37L A 201 ? -12.79519 6.18882 -13.13513 1.000 16.76354 H ? B ? . H15 1
   HETATM 2125 H16 . 37L A 201 ? -12.48222 8.00096 -14.41557 1.000 27.54611 H ? B ? . H16 1
   HETATM 2126 H17 . 37L A 201 ? -13.22246 8.90815 -13.34563 1.000 27.54611 H ? B ? . H17 1
   HETATM 2127 H18 . 37L A 201 ? -10.75764 5.95280 -9.28403 1.000 11.02241 H ? B ? . H18 1
   HETATM 2128 H19 . 37L A 201 ? -10.96711 4.76890 -8.29096 1.000 11.02241 H ? B ? . H19 1
   HETATM 2129 H20 . 37L A 201 ? -8.75561 4.95031 -8.47649 1.000 9.26315 H ? B ? . H20 1
   HETATM 2130 H21 . 37L A 201 ? -8.81792 5.16482 -10.02223 1.000 9.26315 H ? B ? . H21 1
   HETATM 2131 H22 . 37L A 201 ? -9.06200 2.69430 -8.67842 1.000 9.57867 H ? B ? . H22 1
   HETATM 2132 H23 . 37L A 201 ? -7.96965 3.05459 -9.73238 1.000 9.57867 H ? B ? . H23 1
   HETATM 2133 H24 . 37L A 201 ? -9.67974 1.63787 -10.64630 1.000 10.56110 H ? B ? . H24 1
   HETATM 2134 H25 . 37L A 201 ? -9.51432 2.95651 -11.46706 1.000 10.56110 H ? B ? . H25 1
   HETATM 2135 H26 . 37L A 201 ? -11.72637 2.65794 -11.20121 1.000 8.78673 H ? B ? . H26 1
   HETATM 2136 H27 . 37L A 201 ? -12.75411 0.91883 -7.26183 1.000 12.44535 H ? B ? . H27 1
   HETATM 2137 H28 . 37L A 201 ? -14.83819 1.84936 -7.75987 1.000 13.37324 H ? B ? . H28 1
   HETATM 2138 H29 . 37L A 201 ? -14.59644 2.81826 -6.57300 1.000 13.37324 H ? B ? . H29 1
   HETATM 2139 H30 . 37L A 201 ? -15.82544 1.02383 -5.67265 1.000 13.26075 H ? B ? . H30 1
   HETATM 2140 H31 . 37L A 201 ? -14.39764 0.88968 -5.08086 1.000 13.26075 H ? B ? . H31 1
   HETATM 2141 H32 . 37L A 201 ? -16.51251 -0.41765 -7.49736 1.000 20.26142 H ? B ? . H32 1
   HETATM 2142 H33 . 37L A 201 ? -13.12963 -1.18468 -5.54901 1.000 11.49989 H ? B ? . H33 1
   HETATM 2143 H34 . 37L A 201 ? -13.07010 -3.30503 -6.38964 1.000 15.02447 H ? B ? . H34 1
   HETATM 2144 H35 . 37L A 201 ? -14.00449 -6.01715 -8.36429 1.000 20.53785 H ? B ? . H35 1
   HETATM 2145 H36 . 37L A 201 ? -13.01640 -4.76520 -8.14564 1.000 20.53785 H ? B ? . H36 1
   HETATM 2146 H37 . 37L A 201 ? -13.83581 -5.37111 -6.89947 1.000 20.53785 H ? B ? . H37 1
   HETATM 2147 H38 . 37L A 201 ? -17.88291 -1.32818 -8.73564 1.000 28.80042 H ? B ? . H38 1
   HETATM 2148 H39 . 37L A 201 ? -18.55548 -2.78533 -8.86690 1.000 28.80042 H ? B ? . H39 1
   HETATM 2149 H4 . 37L A 201 ? -12.31371 7.64825 -8.17135 1.000 11.24891 H ? B ? . H4 1
   HETATM 2150 H40 . 37L A 201 ? -18.03207 -2.26617 -7.43534 1.000 28.80042 H ? B ? . H40 1
   HETATM 2151 H41 . 37L A 201 ? -10.99350 0.83352 -5.61315 1.000 8.87891 H ? B ? . H41 1
   HETATM 2152 H42 . 37L A 201 ? -12.85513 4.33572 -6.22463 1.000 10.80716 H ? B ? . H42 1
   HETATM 2153 H43 . 37L A 201 ? -11.57189 5.27598 -4.57033 1.000 9.77322 H ? B ? . H43 1
   HETATM 2154 H44 . 37L A 201 ? -9.95372 4.07285 -3.52776 1.000 10.53748 H ? B ? . H44 1
   HETATM 2155 H45 . 37L A 201 ? -7.66602 1.54766 -2.93461 1.000 15.56670 H ? B ? . H45 1
   HETATM 2156 H46 . 37L A 201 ? -8.12629 2.94115 -3.45767 1.000 15.56670 H ? B ? . H46 1
   HETATM 2157 H5 . 37L A 201 ? -16.80055 7.32986 -4.39319 1.000 20.24755 H ? B ? . H5 1
   HETATM 2158 H6 . 37L A 201 ? -15.99029 8.21806 -5.45655 1.000 20.24755 H ? B ? . H6 1
   HETATM 2159 H7 . 37L A 201 ? -17.05823 7.13317 -5.96516 1.000 20.24755 H ? B ? . H7 1
   HETATM 2160 H8 . 37L A 201 ? -16.49913 3.48231 -8.71701 1.000 13.46918 H ? B ? . H8 1
   HETATM 2161 H9 . 37L A 201 ? -17.36411 4.69852 -9.16299 1.000 13.46918 H ? B ? . H9 1
   HETATM 2162 C1 . GOL A 202 ? -1.14223 11.30035 -13.46174 1.000 16.59381 C ? C ? . C1 1
   HETATM 2163 C2 . GOL A 202 ? -0.39336 11.27535 -12.16403 1.000 18.86754 C ? C ? . C2 1
   HETATM 2164 C3 . GOL A 202 ? 0.92133 12.01971 -12.13016 1.000 19.56659 C ? C ? . C3 1
   HETATM 2165 O1 . GOL A 202 ? -1.24533 12.57757 -14.03201 1.000 14.46569 O ? C ? . O1 1
   HETATM 2166 O2 . GOL A 202 ? -1.21068 11.85674 -11.17434 1.000 26.11381 O ? C ? . O2 1
   HETATM 2167 O3 . GOL A 202 ? 1.82783 11.44133 -13.06590 1.000 20.95132 O ? C ? . O3 1
   HETATM 2168 H2 . GOL A 202 ? -0.18684 10.33356 -12.05783 1.000 22.65894 H ? C ? . H2 1
   HETATM 2169 H11 . GOL A 202 ? -0.69146 10.69352 -14.06958 1.000 19.93046 H ? C ? . H11 1
   HETATM 2170 H12 . GOL A 202 ? -2.02386 10.93131 -13.29610 1.000 19.93046 H ? C ? . H12 1
   HETATM 2171 H31 . GOL A 202 ? 1.27890 11.98143 -11.22928 1.000 23.49779 H ? C ? . H31 1
   HETATM 2172 H32 . GOL A 202 ? 0.75709 12.95338 -12.33554 1.000 23.49779 H ? C ? . H32 1
   HETATM 2173 HO1 . GOL A 202 ? -1.72467 13.05701 -13.51931 1.000 17.37672 H ? C ? . HO1 1
   HETATM 2174 HO2 . GOL A 202 ? -0.70322 12.11949 -10.54510 1.000 31.35446 H ? C ? . HO2 1
   HETATM 2175 HO3 . GOL A 202 ? 2.06673 10.67866 -12.77649 1.000 25.15947 H ? C ? . HO3 1
   HETATM 2176 NA . NA A 203 ? -1.02540 0.66461 3.59990 1.000 35.83979 Na 1+ D ? . NA 1
   HETATM 2177 O . HOH A 301 ? -3.54576 -12.23361 -18.96206 1.000 32.45034 O ? E ? . O 1
   HETATM 2178 O . HOH A 304 ? 1.91942 -5.33703 -23.98194 0.781 26.54504 O ? E ? . O 1
   HETATM 2179 O . HOH A 305 ? -3.59306 5.65830 -36.43533 1.000 38.12059 O ? E ? . O 1
   HETATM 2181 O . HOH A 307 ? -9.87342 17.92892 -11.16149 1.000 22.30158 O ? E ? . O 1
   HETATM 2182 O . HOH A 308 ? -3.70767 17.76959 -8.26167 0.628 19.69638 O ? E ? . O 1
   HETATM 2183 O . HOH A 309 ? -7.13865 7.15197 -0.72022 0.808 28.18815 O ? E ? . O 1
   HETATM 2184 O . HOH A 311 ? -9.01635 7.47250 -33.01420 1.000 26.75027 O ? E ? . O 1
   HETATM 2185 O . HOH A 312 ? -5.72773 16.81839 -11.99398 1.000 15.84155 O ? E ? . O 1
   HETATM 2187 O . HOH A 314 ? 16.15024 -9.89364 -17.62960 0.940 35.20244 O ? E ? . O 1
   HETATM 2188 O . HOH A 315 ? -27.53425 -0.02717 -13.46540 0.703 22.07388 O ? E ? . O 1
   HETATM 2189 O . HOH A 317 ? 6.89789 -8.46766 -6.04278 1.000 19.52020 O ? E ? . O 1
   HETATM 2190 O . HOH A 318 ? -16.18782 -1.11033 -27.98352 0.822 23.24686 O ? E ? . O 1
   HETATM 2193 O . HOH A 321 ? -19.09288 0.94709 -7.60051 0.833 18.99256 O ? E ? . O 1
   HETATM 2194 O . HOH A 322 ? -11.10232 2.10318 -28.48063 0.817 17.03597 O ? E ? . O 1
   HETATM 2195 O . HOH A 323 ? -6.30903 -7.07044 -29.74074 0.989 11.38964 O ? E ? . O 1
   HETATM 2197 O . HOH A 325 ? 3.29156 -9.87713 -2.08442 0.920 16.86762 O ? E ? . O 1
   HETATM 2198 O . HOH A 327 ? -18.46885 2.14012 -23.60906 1.000 15.10894 O ? E ? . O 1
   HETATM 2199 O . HOH A 328 ? -8.26335 13.95295 -23.30358 1.000 27.76126 O ? E ? . O 1
   HETATM 2200 O . HOH A 329 ? 7.35167 7.73371 -9.97816 1.000 22.07865 O ? E ? . O 1
   HETATM 2201 O . HOH A 330 ? -11.55465 -7.78126 -2.82081 0.626 23.82666 O ? E ? . O 1
   HETATM 2202 O . HOH A 331 ? -1.33696 15.31836 -13.43036 1.000 15.19521 O ? E ? . O 1
   HETATM 2203 O . HOH A 332 ? -7.66754 15.70973 -30.11910 1.000 32.50242 O ? E ? . O 1
   HETATM 2204 O . HOH A 333 ? 1.00297 1.59238 3.17313 0.957 35.97789 O ? E ? . O 1
   HETATM 2205 O . HOH A 334 ? 14.06012 -4.48715 -11.65873 0.863 19.18031 O ? E ? . O 1
   HETATM 2206 O . HOH A 335 ? 2.12246 -12.02368 -2.92979 0.813 25.57701 O ? E ? . O 1
   HETATM 2207 O . HOH A 336 ? 6.25476 -9.84384 -3.79213 1.000 14.02172 O ? E ? . O 1
   HETATM 2208 O . HOH A 337 ? 17.97348 -4.39876 -15.84710 0.839 30.31720 O ? E ? . O 1
   HETATM 2209 O . HOH A 338 ? -2.21547 8.50095 -25.18616 1.000 16.21977 O ? E ? . O 1
   HETATM 2210 O . HOH A 339 ? -13.03074 -5.75452 -29.27085 0.851 16.76355 O ? E ? . O 1
   HETATM 2211 O . HOH A 340 ? 10.73487 -8.18460 -8.20015 0.877 27.23820 O ? E ? . O 1
   HETATM 2212 O . HOH A 341 ? 5.29066 -5.36966 -18.15023 0.938 14.16972 O ? E ? . O 1
   HETATM 2213 O . HOH A 342 ? 0.00076 -6.66784 -25.24950 0.585 20.01181 O ? E ? . O 1
   HETATM 2214 O . HOH A 344 ? -15.09713 2.75914 -26.01008 0.930 30.37810 O ? E ? . O 1
   HETATM 2215 O . HOH A 345 ? 7.74784 -5.08635 -18.78095 1.000 27.18404 O ? E ? . O 1
   HETATM 2216 O . HOH A 346 ? -22.07603 5.01081 -21.20735 0.965 26.78248 O ? E ? . O 1
   HETATM 2217 O . HOH A 347 ? -3.18973 -3.61527 -29.75688 0.787 13.90898 O ? E ? . O 1
   HETATM 2218 O . HOH A 349 ? 2.36272 7.78781 -27.22338 0.957 27.14800 O ? E ? . O 1
   HETATM 2219 O . HOH A 350 ? -0.30752 15.11578 -17.24068 1.000 12.62723 O ? E ? . O 1
   HETATM 2220 O . HOH A 351 ? -17.48754 -2.64273 -25.03169 0.736 31.49237 O ? E ? . O 1
   HETATM 2221 O . HOH A 352 ? -6.83707 -16.34155 -24.47700 0.793 26.43103 O ? E ? . O 1
   HETATM 2222 O . HOH A 353 ? -17.56439 4.10801 -4.84145 0.860 13.46624 O ? E ? . O 1
   HETATM 2223 O . HOH A 354 ? -11.08337 -0.59816 -2.53372 0.965 9.89884 O ? E ? . O 1
   HETATM 2224 O . HOH A 355 ? -12.24585 0.88346 -26.06906 0.942 18.96747 O ? E ? . O 1
   HETATM 2225 O . HOH A 356 ? -4.69608 -0.30746 -30.75012 1.000 12.28628 O ? E ? . O 1
   HETATM 2226 O . HOH A 357 ? -8.31170 -10.28353 -31.19545 0.814 21.29595 O ? E ? . O 1
   HETATM 2227 O . HOH A 358 ? -4.39289 -9.89730 -18.78648 0.869 19.02251 O ? E ? . O 1
   HETATM 2228 O . HOH A 359 ? -13.84920 7.50691 -2.91918 1.000 15.60251 O ? E ? . O 1
   HETATM 2229 O . HOH A 360 ? -3.77663 -13.40978 -24.81675 0.793 16.22589 O ? E ? . O 1
   HETATM 2231 O . HOH A 362 ? -7.19264 -9.90435 -18.88815 1.000 23.95942 O ? E ? . O 1
   HETATM 2232 O . HOH A 363 ? -11.71591 14.89215 -8.34271 0.811 25.41462 O ? E ? . O 1
   HETATM 2234 O . HOH A 365 ? -5.88348 4.67843 -1.18157 0.989 14.96209 O ? E ? . O 1
   HETATM 2236 O . HOH A 367 ? 7.87137 -8.26619 -8.62402 0.988 15.42564 O ? E ? . O 1
   HETATM 2237 O . HOH A 368 ? -11.15212 6.44934 -28.30062 1.000 30.39187 O ? E ? . O 1
   HETATM 2238 O . HOH A 369 ? 16.35783 1.14314 -15.64407 0.864 22.00473 O ? E ? . O 1
   HETATM 2239 O . HOH A 370 ? -5.60696 -4.52110 -30.52336 0.913 9.36823 O ? E ? . O 1
   HETATM 2240 O . HOH A 371 ? -18.33678 5.72690 -22.36495 1.000 25.32010 O ? E ? . O 1
   HETATM 2241 O . HOH A 372 ? -2.74764 -8.38037 -10.83489 0.964 14.49599 O ? E ? . O 1
   HETATM 2242 O . HOH A 373 ? 5.34764 14.28553 -14.15839 0.931 22.83493 O ? E ? . O 1
   HETATM 2243 O . HOH A 374 ? 8.38379 13.02981 -16.41426 0.788 29.59935 O ? E ? . O 1
   HETATM 2244 O . HOH A 375 ? 5.86609 12.34515 -12.32327 1.000 24.26756 O ? E ? . O 1
   HETATM 2245 O . HOH A 376 ? -26.64074 4.93673 -17.17275 0.920 18.35701 O ? E ? . O 1
   HETATM 2246 O A HOH A 377 ? -14.96326 17.06390 -16.76414 0.630 27.84127 O ? E ? . O 1
   HETATM 2247 O B HOH A 377 ? -15.45105 15.73125 -16.74363 0.370 26.60366 O ? E ? . O 1
   HETATM 2250 O . HOH A 382 ? -1.56203 -5.50052 -28.73570 0.730 18.89230 O ? E ? . O 1
   HETATM 2252 O . HOH A 385 ? -15.27077 -5.99453 -10.99619 0.995 30.47205 O ? E ? . O 1
   HETATM 2253 O . HOH A 386 ? -25.44403 0.93094 -23.72229 1.000 33.06295 O ? E ? . O 1
   HETATM 2254 O . HOH A 387 ? 4.14253 7.61305 -25.58495 1.000 36.16919 O ? E ? . O 1
   HETATM 2255 O . HOH A 388 ? -6.15269 -11.55262 -10.06047 0.663 19.51466 O ? E ? . O 1
   HETATM 2256 O . HOH A 389 ? 16.18159 3.87600 -16.03306 0.841 21.11335 O ? E ? . O 1
   HETATM 2258 O . HOH A 391 ? -21.10620 -0.78482 -8.69214 0.910 31.03285 O ? E ? . O 1
   HETATM 2262 O . HOH A 396 ? -12.83640 5.74513 -26.34766 1.000 37.85617 O ? E ? . O 1
   HETATM 2263 O . HOH A 398 ? -12.08917 -10.13332 -30.08901 1.000 35.83276 O ? E ? . O 1
   HETATM 2264 O . HOH A 399 ? -3.90044 -1.55698 -33.22114 1.000 18.03769 O ? E ? . O 1
   HETATM 2265 O . HOH A 400 ? -16.86638 -4.54271 -26.71431 0.946 22.44530 O ? E ? . O 1
   HETATM 2267 O . HOH A 402 ? -3.43435 0.28891 3.26830 1.000 24.01548 O ? E ? . O 1
   HETATM 2268 O . HOH A 403 ? -4.97185 -1.04243 1.06179 1.000 33.34237 O ? E ? . O 1
   HETATM 2269 O . HOH A 404 ? -11.01455 7.44593 -2.55048 0.942 20.16036 O ? E ? . O 1
   HETATM 2270 O . HOH A 405 ? 3.95292 13.71685 -16.57365 0.841 18.58359 O ? E ? . O 1
   HETATM 2271 O . HOH A 406 ? 9.81747 14.17937 -13.20112 1.000 33.72272 O ? E ? . O 1
   HETATM 2272 O . HOH A 407 ? 8.27033 15.08442 -14.95014 1.000 35.89810 O ? E ? . O 1
   HETATM 2273 O . HOH A 409 ? 2.31635 -4.64179 -21.09652 1.000 23.52837 O ? E ? . O 1
   HETATM 2275 O A HOH A 411 ? -13.97052 -8.05589 -10.26505 0.406 18.44098 O ? E ? . O 1
   HETATM 2276 O B HOH A 411 ? -11.92737 -8.58592 -9.81181 0.594 20.47588 O ? E ? . O 1
   HETATM 2277 O . HOH A 412 ? -3.97115 -14.91109 -27.02473 0.815 34.17703 O ? E ? . O 1
   HETATM 2279 O . HOH A 414 ? -4.20789 -8.62509 -30.30982 0.750 17.68126 O ? E ? . O 1
   HETATM 2280 O . HOH A 415 ? -15.84093 -8.53284 -26.57049 0.805 31.45149 O ? E ? . O 1
   HETATM 2281 O . HOH A 416 ? -5.77403 -10.96245 -31.52473 0.780 31.49066 O ? E ? . O 1
   HETATM 2282 O . HOH A 417 ? 5.46924 6.03368 -2.75399 1.000 31.03747 O ? E ? . O 1
   HETATM 2283 O . HOH A 418 ? -19.94950 7.85216 -4.10963 0.858 25.38573 O ? E ? . O 1
   HETATM 2284 O . HOH A 419 ? -17.57611 1.13789 -16.73074 1.000 11.02767 O ? E ? . O 1
   HETATM 2285 O . HOH A 420 ? -14.16487 -4.54110 -12.96802 1.000 11.41664 O ? E ? . O 1
   HETATM 2286 O . HOH A 421 ? 10.33808 -1.44385 -11.63117 1.000 10.19475 O ? E ? . O 1
   HETATM 2287 O . HOH A 422 ? 8.16385 1.30039 -18.18067 1.000 12.35165 O ? E ? . O 1
   HETATM 2288 O . HOH A 423 ? -6.95653 -5.39685 -6.26433 1.000 10.61255 O ? E ? . O 1
   HETATM 2289 O . HOH A 424 ? -10.17527 -0.25010 -24.35360 0.824 13.98777 O ? E ? . O 1
   HETATM 2291 O . HOH A 426 ? 3.47560 -2.13193 -21.27571 1.000 12.63995 O ? E ? . O 1
   HETATM 2292 O . HOH A 427 ? 6.08450 -1.87250 -18.21522 1.000 15.33932 O ? E ? . O 1
   HETATM 2293 O . HOH A 428 ? -20.36340 1.27166 -16.71815 1.000 11.34386 O ? E ? . O 1
   HETATM 2294 O . HOH A 429 ? -9.28457 11.57380 -27.86813 1.000 17.99843 O ? E ? . O 1
   HETATM 2295 O . HOH A 430 ? -7.10294 11.05712 -9.08893 0.999 15.76860 O ? E ? . O 1
   HETATM 2296 O . HOH A 431 ? 3.24921 1.16619 -24.85630 0.898 18.52375 O ? E ? . O 1
   HETATM 2297 O . HOH A 432 ? 1.96472 -1.09618 -23.47293 0.774 17.85930 O ? E ? . O 1
   HETATM 2298 O . HOH A 433 ? 12.10732 -1.42519 -9.51114 0.995 19.11421 O ? E ? . O 1
   HETATM 2299 O . HOH A 434 ? -10.56282 -6.40346 -10.06764 0.842 17.03232 O ? E ? . O 1
   HETATM 2300 O . HOH A 435 ? -19.84812 5.48841 -5.23483 0.824 21.35325 O ? E ? . O 1
   HETATM 2301 O . HOH A 436 ? -25.12342 1.45457 -10.67088 0.967 23.41789 O ? E ? . O 1
   HETATM 2302 O . HOH A 437 ? -20.67723 -2.07332 -11.31378 0.919 22.20806 O ? E ? . O 1
   HETATM 2303 O . HOH A 438 ? 13.04770 0.33281 -17.59061 1.000 23.00320 O ? E ? . O 1
   HETATM 2304 O . HOH A 439 ? -14.72263 -5.64182 -23.23239 0.741 18.15294 O ? E ? . O 1
   HETATM 2305 O . HOH A 440 ? 8.73937 0.11467 -20.51594 0.625 23.63127 O ? E ? . O 1
   HETATM 2306 O . HOH A 441 ? 7.89264 1.36647 -23.49523 0.760 24.73629 O ? E ? . O 1
   HETATM 2307 O . HOH A 442 ? 10.03823 7.77590 -21.29308 0.931 20.33741 O ? E ? . O 1
   HETATM 2308 O . HOH A 443 ? 6.40151 -2.07275 -20.73509 0.892 21.94729 O ? E ? . O 1
   HETATM 2309 O . HOH A 444 ? 11.84765 7.51539 -18.54228 0.970 28.35140 O ? E ? . O 1
   HETATM 2310 O . HOH A 445 ? -20.16684 5.95182 -7.81074 0.855 28.29488 O ? E ? . O 1
   HETATM 2311 O . HOH A 446 ? 1.77769 1.24115 -27.54287 0.548 18.43806 O ? E ? . O 1
   HETATM 2312 O . HOH A 447 ? -22.48211 -4.84745 -14.64226 0.801 22.58745 O ? E ? . O 1
   HETATM 2313 O . HOH A 448 ? 13.15679 1.05336 -8.86665 1.000 30.68279 O ? E ? . O 1
   HETATM 2314 O . HOH A 449 ? -9.94816 13.35543 -25.67318 0.747 21.29614 O ? E ? . O 1
   HETATM 2315 O . HOH A 450 ? -26.53193 7.46902 -16.46716 0.963 28.78306 O ? E ? . O 1
   HETATM 2316 O . HOH A 451 ? 3.15219 -4.54418 2.05889 0.687 24.84695 O ? E ? . O 1
   HETATM 2317 O . HOH A 452 ? 14.08515 4.11147 -17.84378 0.756 19.75288 O ? E ? . O 1
   HETATM 2318 O . HOH A 453 ? 9.94120 -3.55979 -4.40893 1.000 42.03495 O ? E ? . O 1
   HETATM 2319 O . HOH A 454 ? 5.22176 4.12212 -25.69875 0.595 24.13730 O ? E ? . O 1
   HETATM 2320 O . HOH A 455 ? -1.69923 -9.09255 0.13679 0.754 29.99063 O ? E ? . O 1
   HETATM 2321 O . HOH A 456 ? -27.43354 5.08337 -19.71584 1.000 38.31328 O ? E ? . O 1
   HETATM 2322 O . HOH A 457 ? -0.79795 -6.31764 0.12594 0.718 23.10560 O ? E ? . O 1
   HETATM 2324 O . HOH A 460 ? 12.89452 0.21427 -5.59138 0.916 34.77047 O ? E ? . O 1
   HETATM 2325 O . HOH A 461 ? 6.68128 4.23782 -1.12906 1.000 34.36594 O ? E ? . O 1
   HETATM 2326 O . HOH A 462 ? 10.81911 7.02819 -14.76876 0.932 37.42631 O ? E ? . O 1
   HETATM 2328 O . HOH A 464 ? 0.13121 -5.92106 2.58475 0.817 29.02609 O ? E ? . O 1
   HETATM 2330 O . HOH A 466 ? -21.93362 -6.17259 -17.40423 0.679 23.86995 O ? E ? . O 1
   HETATM 2332 O . HOH A 468 ? -13.06899 12.04096 -7.52718 0.945 36.72212 O ? E ? . O 1
   HETATM 2341 O . HOH A 480 ? 5.76624 0.15313 -24.78580 1.000 32.08477 O ? E ? . O 1
   HETATM 2343 O . HOH A 482 ? 1.75599 12.42475 -15.37475 0.833 18.70317 O ? E ? . O 1
   HETATM 2347 O . HOH A 486 ? -22.22461 7.35898 -7.77335 1.000 39.44093 O ? E ? . O 1
   HETATM 2815 O . HOH S 493 ? -16.88980 -4.13114 -22.57116 1.000 15.19992 O ? F ? . O 1
   HETATM 2816 O . HOH S 494 ? -13.02681 3.35494 -27.14416 0.402 15.57089 O ? F ? . O 1
   HETATM 2818 O . HOH S 496 ? -18.12286 -4.77379 -14.18540 1.000 35.80030 O ? F ? . O 1
   HETATM 2819 O . HOH S 497 ? -2.93760 -2.08713 0.12021 0.395 22.20017 O ? F ? . O 1
   HETATM 2821 O . HOH S 499 ? 1.64124 14.56734 -16.18109 0.598 23.89989 O ? F ? . O 1
   HETATM 2822 O . HOH S 500 ? -0.90348 9.86465 -26.67210 0.277 16.25875 O ? F ? . O 1
   HETATM 2823 O . HOH S 501 ? -20.32279 7.05863 -20.61113 1.000 37.54450 O ? F ? . O 1
   HETATM 2824 O . HOH S 502 ? -4.58050 -3.47286 0.78563 0.559 26.39500 O ? F ? . O 1
   HETATM 2825 O . HOH S 503 ? 14.73190 -2.41666 -10.16931 0.610 25.30708 O ? F ? . O 1
   HETATM 2826 O . HOH S 504 ? -17.30636 8.09105 -22.50950 0.820 38.26274 O ? F ? . O 1
   HETATM 2827 O . HOH S 505 ? 8.07530 13.18273 -11.48145 1.000 34.40838 O ? F ? . O 1
   HETATM 2828 O . HOH S 506 ? -5.17986 5.34669 -38.23553 0.680 33.35584 O ? F ? . O 1
   HETATM 2829 O . HOH S 507 ? 9.81437 3.75042 -6.42732 0.753 31.04248 O ? F ? . O 1
   HETATM 2830 O . HOH S 508 ? 16.90715 -2.12969 -15.98642 0.760 32.74151 O ? F ? . O 1
   HETATM 2831 O . HOH S 509 ? 8.84692 6.11719 -8.65483 0.471 20.70464 O ? F ? . O 1
   HETATM 2834 O . HOH S 512 ? 1.48763 12.06850 0.97440 1.000 40.95856 O ? F ? . O 1
   HETATM 2835 O . HOH S 513 ? -29.09776 0.11653 -11.20762 0.840 35.03013 O ? F ? . O 1
   HETATM 2837 O . HOH S 515 ? -11.83952 12.83335 -23.74094 0.792 34.36004 O ? F ? . O 1
   HETATM 2839 O . HOH S 517 ? 2.36646 5.61079 -28.97183 0.603 32.82327 O ? F ? . O 1
   HETATM 2843 O . HOH S 521 ? -18.92827 15.58069 -15.43401 0.883 32.78464 O ? F ? . O 1
   HETATM 2844 O . HOH S 522 ? -2.04618 -8.09380 -28.47533 0.339 15.44193 O ? F ? . O 1
   HETATM 2845 O . HOH S 523 ? -5.76389 12.53564 -31.47640 0.779 34.22753 O ? F ? . O 1
   HETATM 2847 O . HOH S 525 ? -15.12496 -6.06196 -14.65516 0.324 19.47521 O ? F ? . O 1
   HETATM 2850 O . HOH S 528 ? -6.30379 -12.83182 -7.98970 0.452 22.66076 O ? F ? . O 1
   HETATM 2852 O . HOH S 530 ? -4.88982 -14.37303 -3.90812 0.556 28.37068 O ? F ? . O 1
   HETATM 2853 O . HOH S 531 ? -6.07208 10.65071 -33.45556 0.643 31.01748 O ? F ? . O 1
   HETATM 2860 O . HOH S 538 ? -20.84219 -3.94031 -20.36954 0.619 26.74780 O ? F ? . O 1
   HETATM 2865 O . HOH S 543 ? 12.35498 6.74105 -22.77367 0.921 37.99264 O ? F ? . O 1
   HETATM 2874 O . HOH S 552 ? 9.71117 -1.90593 -2.33736 0.636 34.58914 O ? F ? . O 1
   HETATM 2876 O . HOH S 554 ? 12.02405 -0.69003 -19.82781 0.800 32.31818 O ? F ? . O 1
   HETATM 2886 O . HOH S 564 ? -13.68630 7.41501 -28.52462 0.661 29.04855 O ? F ? . O 1
   HETATM 2892 O . HOH S 570 ? -10.06821 -11.89589 -32.24046 0.448 29.15373 O ? F ? . O 1
   HETATM 2930 O . HOH S 573 ? -14.63352 -6.12900 -25.92842 0.746 17.78169 O ? G ? . O 1
   HETATM 2931 O . HOH S 574 ? 8.08567 7.26670 -6.68471 0.891 36.42614 O ? G ? . O 1
   HETATM 2936 O . HOH S 579 ? -17.28836 -6.94670 -14.75999 0.806 35.92470 O ? G ? . O 1
   HETATM 2939 O . HOH S 582 ? -9.24880 -8.28997 -10.77897 0.783 31.55144 O ? G ? . O 1
   HETATM 2941 O . HOH S 584 ? 0.56562 -1.08259 -30.83055 0.956 38.08211 O ? G ? . O 1
   HETATM 2942 O . HOH S 585 ? -16.04452 -9.23219 -8.40200 0.864 38.08043 O ? G ? . O 1
   HETATM 2947 O . HOH S 590 ? 10.17993 -4.81536 -20.21990 0.967 37.49353 O ? G ? . O 1
   HETATM 2950 O . HOH S 593 ? -1.81138 7.24769 0.86859 0.678 26.93545 O ? G ? . O 1
   HETATM 2951 O . HOH S 594 ? -1.36481 4.80596 -36.08808 0.591 34.81225 O ? G ? . O 1
   HETATM 2960 O . HOH S 603 ? 3.43639 6.70519 -1.73484 0.597 33.60786 O ? G ? . O 1
   HETATM 2976 O . HOH S 619 ? -8.36364 -9.20852 -8.44070 0.658 34.92574 O ? G ? . O 1
   HETATM 2980 O . HOH S 623 ? 2.28272 8.27269 -29.66257 0.522 29.55370 O ? G ? . O 1
   HETATM 2983 O . HOH S 626 ? -19.20368 -4.94796 -22.75082 0.703 33.44510 O ? G ? . O 1
   HETATM 2994 O . HOH S 637 ? 3.19601 10.14846 1.09925 0.543 32.68488 O ? G ? . O 1
   HETATM 3001 O . HOH S 644 ? 7.30933 -3.98423 -21.99394 0.432 23.53462 O ? G ? . O 1
   HETATM 3017 O . HOH S 647 ? 0.97462 -7.62230 4.24770 0.741 31.77493 O ? H ? . O 1
   HETATM 3021 O . HOH S 651 ? -8.37245 18.30404 -7.00640 1.000 44.87522 O ? H ? . O 1
   HETATM 3022 O . HOH S 652 ? 12.07210 -4.95676 -18.68403 0.560 25.09552 O ? H ? . O 1
   HETATM 3024 O . HOH S 654 ? 15.97377 0.13374 -17.92889 0.946 36.31165 O ? H ? . O 1
   HETATM 3027 O . HOH S 657 ? -14.77810 -7.69261 -23.99402 0.345 23.91654 O ? H ? . O 1
   HETATM 3029 O . HOH S 659 ? -4.23610 10.58490 -31.76036 0.864 37.56046 O ? H ? . O 1
   HETATM 3035 O . HOH S 665 ? 16.39479 -2.63988 -18.47558 0.934 38.02374 O ? H ? . O 1
   HETATM 3036 O . HOH S 666 ? -11.35935 -11.89144 -28.14525 0.721 31.66701 O ? H ? . O 1
   HETATM 3039 O . HOH S 669 ? -5.82278 -12.85335 -5.57823 0.252 17.35268 O ? H ? . O 1
   HETATM 3040 O . HOH S 670 ? -5.33776 -13.25292 -30.58863 0.678 29.80337 O ? H ? . O 1
   HETATM 3043 O . HOH S 673 ? -4.13743 -8.87596 0.37889 0.697 35.50460 O ? H ? . O 1
   HETATM 3044 O . HOH S 674 ? -18.90471 4.60639 -24.87079 0.452 26.62009 O ? H ? . O 1
   HETATM 3045 O . HOH S 675 ? 8.38971 -8.74252 -2.47282 0.483 25.93245 O ? H ? . O 1
   HETATM 3046 O . HOH S 676 ? -23.74905 0.19175 -8.56560 0.545 30.28537 O ? H ? . O 1
   HETATM 3051 O . HOH S 681 ? -15.39855 10.81590 -11.62174 0.915 39.14948 O ? H ? . O 1
   HETATM 3054 O . HOH S 684 ? -21.22692 9.92673 -24.79357 0.850 36.62557 O ? H ? . O 1
   HETATM 3062 O . HOH S 692 ? 7.67885 10.88207 -10.60766 0.306 19.50623 O ? H ? . O 1
   HETATM 3065 O . HOH S 695 ? -11.48203 10.54620 -28.88503 0.732 38.08628 O ? H ? . O 1
   HETATM 3068 O . HOH S 698 ? -5.09012 12.35742 -35.01849 0.543 27.34190 O ? H ? . O 1
   HETATM 3071 O . HOH S 701 ? -3.43327 5.79682 2.33077 0.691 32.65592 O ? H ? . O 1
   HETATM 3108 O . HOH S 709 ? -12.97179 -13.00259 -26.47656 0.720 30.79189 O ? I ? . O 1
   HETATM 3114 O . HOH S 715 ? -25.37763 8.67112 -19.38816 0.635 29.82077 O ? I ? . O 1
   HETATM 3121 O . HOH S 722 ? 11.14903 5.52576 -9.83788 0.652 31.20539 O ? I ? . O 1
   HETATM 3122 O . HOH S 723 ? -12.93985 -10.44054 -10.98928 0.662 33.77017 O ? I ? . O 1
   HETATM 3126 O . HOH S 727 ? -15.03485 10.84291 -6.44907 0.540 27.00640 O ? I ? . O 1
   HETATM 3129 O . HOH S 730 ? -8.50072 -1.27585 -0.70927 0.490 25.01648 O ? I ? . O 1
   HETATM 3131 O . HOH S 732 ? -16.39378 17.80436 -18.92829 0.912 41.82653 O ? I ? . O 1
   HETATM 3132 O . HOH S 733 ? 13.88394 -3.22956 -19.31726 0.713 34.30579 O ? I ? . O 1
   HETATM 3134 O . HOH S 735 ? -6.31091 17.06419 -6.47139 0.507 29.38009 O ? I ? . O 1
   HETATM 3139 O . HOH S 740 ? -8.00079 -12.74427 -4.36346 0.483 24.97586 O ? I ? . O 1
   HETATM 3151 O . HOH S 752 ? -9.34567 -12.14048 -29.80892 0.461 23.62629 O ? I ? . O 1
   HETATM 3153 O . HOH S 753 ? -13.78023 -11.62969 -24.27804 0.534 21.61273 O ? J ? . O 1
   HETATM 3155 O . HOH S 755 ? -5.02983 11.87107 -2.39774 0.510 19.11036 O ? J ? . O 1
   HETATM 3163 O . HOH S 763 ? -24.77746 6.56484 -20.73392 0.568 34.31598 O ? J ? . O 1
   HETATM 3166 O . HOH S 766 ? -12.63103 16.91004 -10.03405 0.546 32.00066 O ? J ? . O 1
   HETATM 3167 O . HOH S 767 ? -15.10420 -10.21953 -20.58602 0.515 29.15552 O ? J ? . O 1
   HETATM 3168 O . HOH S 768 ? 0.08038 -12.72251 -3.28335 0.412 27.09267 O ? J ? . O 1
   HETATM 3170 O . HOH S 770 ? 11.65928 6.44856 -12.69662 0.259 20.89155 O ? J ? . O 1
   HETATM 3172 O . HOH S 772 ? -27.58698 1.13676 -9.58814 0.413 24.35964 O ? J ? . O 1
   HETATM 3174 O . HOH S 774 ? 5.60791 -1.63226 -22.88877 0.438 26.90196 O ? J ? . O 1
   HETATM 3177 O . HOH S 777 ? -15.26002 -9.88749 -24.03433 0.326 24.91435 O ? J ? . O 1
   HETATM 3178 O . HOH S 778 ? -6.77284 17.82422 -31.07787 0.604 29.67611 O ? J ? . O 1
   HETATM 3194 O . HOH S 794 ? -20.25757 -5.28634 -13.20743 0.621 30.01203 O ? J ? . O 1

data_comp_37L
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
   37L CAD C CH3 0 -0.437 2.0993 0.3744 4.4965
   37L OBE O O2 0 -0.467 2.9138 -0.4058 3.6470
   37L CBS C CR6 0 0.349 3.1891 0.0670 2.4159
   37L CAS C CR16 0 -0.451 2.7555 1.2989 1.9368
   37L CBU C CR6 0 0.163 3.9736 -0.7673 1.6161
   37L OBG O O2 0 -0.485 4.4338 -1.9466 2.1123
   37L CAF C CH3 0 -0.407 3.5894 -3.0572 1.8365
   37L CBT C CR6 0 0.367 4.2925 -0.3736 0.3171
   37L OBF O O2 0 -0.464 5.0514 -1.2338 -0.3845
   37L CAE C CH3 0 -0.441 5.4135 -0.8879 -1.7042
   37L CAT C CR16 0 -0.483 3.8412 0.8532 -0.1663
   37L CBP C CR6 0 0.204 3.0769 1.6864 0.6414
   37L CBW C CH1 0 -0.508 2.6721 3.0363 0.0918
   37L CAW C CH2 0 -0.482 3.2256 4.2045 0.9361
   37L CAK C C1 0 -0.145 4.7185 4.1841 1.0089
   37L CAA C C2 0 -0.538 5.5074 5.1317 0.5156
   37L CBL C C 0 0.629 1.1592 3.1902 0.0065
   37L OAI O O 0 -0.469 0.4651 2.9379 0.9794
   37L N N NT 0 -0.491 0.5988 3.6094 -1.1621
   37L CBB C CH2 0 -0.311 1.3203 4.4843 -2.0913
   37L CAV C CH2 0 -0.436 0.7629 4.4168 -3.5007
   37L CAU C CH2 0 -0.449 -0.7195 4.7427 -3.4988
   37L CB C CH2 0 -0.465 -1.4354 3.7781 -2.5699
   37L CA C CH1 0 -0.149 -0.8504 3.8044 -1.1494
   37L C C C 0 0.588 -1.5911 2.7497 -0.3479
   37L O O O 0 -0.445 -2.4861 3.0060 0.4166
   37L OBI O O2 0 -0.464 -1.2583 1.5209 -0.7211
   37L CBV C CH1 0 -0.030 -1.9295 0.4207 -0.0966
   37L CBA C CH2 0 -0.446 -1.1867 -0.8382 -0.5199
   37L CAY C CH2 0 -0.511 0.2703 -0.8940 -0.0595
   37L CBM C CR6 0 0.148 0.9500 -2.1433 -0.5453
   37L CAQ C CR16 0 -0.436 0.5907 -3.3905 -0.0226
   37L CAO C CR16 0 -0.329 1.9168 -2.0970 -1.5297
   37L CAP C CR16 0 -0.362 2.5271 -3.2621 -1.9938
   37L CBQ C CR6 0 0.289 2.1709 -4.4949 -1.4778
   37L OBC O O2 0 -0.466 2.6972 -5.6789 -1.8554
   37L CAB C CH3 0 -0.435 3.7084 -5.6667 -2.8395
   37L CBR C CR6 0 0.319 1.1834 -4.5572 -0.4718
   37L OBD O O2 0 -0.466 0.8960 -5.7938 -0.0169
   37L CAC C CH3 0 -0.436 -0.0566 -5.9157 1.0176
   37L CBO C CR6 0 0.145 -3.3769 0.3579 -0.5145
   37L CAR C CR16 0 -0.427 -4.3483 0.0788 0.4292
   37L CAN C CR16 0 -0.329 -3.7388 0.5179 -1.8523
   37L CAL C CR16 0 -0.226 -5.0697 0.4046 -2.2125
   37L CAM C CR16 0 -0.397 -6.0540 0.1228 -1.2705
   37L CBN C CR6 0 0.407 -5.6921 -0.0484 0.0644
   37L OBH O O2 0 -0.463 -6.5487 -0.3259 1.0606
   37L CAX C CH2 0 -0.331 -7.9237 -0.4643 0.7615
   37L CBJ C C 0 0.383 -8.7218 -0.8080 2.0301
   37L OAJ O OC -1 -0.622 -9.9469 -0.9226 1.8307
   37L OAG O O 0 -0.592 -8.1042 -0.9415 3.0962
   37L H1 H HCH3 0 0.226 2.5611 1.3346 4.7409
   37L H2 H HCH3 0 0.225 1.1136 0.5600 4.0618
   37L H3 H HCH3 0 0.259 1.9738 -0.1957 5.4139
   37L H4 H HCR6 0 0.267 2.1549 1.9480 2.5553
   37L H5 H HCH3 0 0.230 4.0445 -3.9308 2.3009
   37L H6 H HCH3 0 0.214 2.5885 -2.9179 2.2533
   37L H7 H HCH3 0 0.232 3.4928 -3.2334 0.7633
   37L H8 H HCH3 0 0.230 6.0007 0.0335 -1.7397
   37L H9 H HCH3 0 0.258 6.0233 -1.7053 -2.0815
   37L H10 H HCH3 0 0.224 4.5418 -0.7741 -2.3542
   37L H11 H HCR6 0 0.273 4.0905 1.1754 -1.1689
   37L H12 H HCH1 0 0.284 3.1171 3.1104 -0.8985
   37L H13 H HCH2 0 0.258 2.8892 5.1540 0.5108
   37L H14 H HCH2 0 0.253 2.8056 4.1418 1.9434
   37L H15 H H 0 0.248 5.1652 3.3245 1.4995
   37L H16 H H 0 0.234 5.1061 6.0063 0.0167
   37L H17 H H 0 0.238 6.5848 5.0689 0.5958
   37L H18 H HCH2 0 0.241 1.2605 5.5184 -1.7308
   37L H19 H HCH2 0 0.269 2.3715 4.2166 -2.1134
   37L H20 H HCH2 0 0.249 1.3215 5.1201 -4.1202
   37L H21 H HCH2 0 0.231 0.9306 3.4183 -3.9128
   37L H22 H HCH2 0 0.226 -0.8726 5.7729 -3.1632
   37L H23 H HCH2 0 0.249 -1.1378 4.6679 -4.5037
   37L H24 H HCH2 0 0.258 -2.4982 4.0187 -2.5009
   37L H25 H HCH2 0 0.244 -1.3579 2.7676 -2.9768
   37L H26 H HCH1 0 0.270 -1.0892 4.7735 -0.6953
   37L H27 H HCH1 0 0.253 -1.8647 0.5323 0.9912
   37L H28 H HCH2 0 0.249 -1.7341 -1.6902 -0.1084
   37L H29 H HCH2 0 0.241 -1.2385 -0.9396 -1.6086
   37L H30 H HCH2 0 0.259 0.8151 -0.0239 -0.4269
   37L H31 H HCH2 0 0.236 0.3125 -0.8417 1.0325
   37L H32 H HCR6 0 0.270 -0.1569 -3.4269 0.7598
   37L H33 H HCR6 0 0.240 2.2164 -1.1432 -1.9461
   37L H34 H HCR6 0 0.269 3.2861 -3.1806 -2.7599
   37L H35 H HCH3 0 0.258 4.0045 -6.7014 -2.9942
   37L H36 H HCH3 0 0.225 3.3541 -5.2575 -3.7898
   37L H37 H HCH3 0 0.223 4.5850 -5.0958 -2.5199
   37L H38 H HCH3 0 0.259 -0.1343 -6.9763 1.2444
   37L H39 H HCH3 0 0.225 0.2518 -5.3851 1.9228
   37L H40 H HCH3 0 0.226 -1.0413 -5.5483 0.7161
   37L H41 H HCR6 0 0.251 -4.0748 -0.0408 1.4718
   37L H42 H HCR6 0 0.246 -2.9903 0.7261 -2.6064
   37L H43 H HCR6 0 0.256 -5.3579 0.5336 -3.2481
   37L H44 H HCR6 0 0.274 -7.0828 0.0423 -1.5938
   37L H45 H HCH2 0 0.227 -8.3199 0.4614 0.3257
   37L H46 H HCH2 0 0.227 -8.0796 -1.2571 0.0196

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
   37L CAA CAK double 1.328 0.020 1.328
   37L CAK CAW single 1.495 0.020 1.495
   37L CAW CBW single 1.544 0.020 1.544
   37L OAI CBL double 1.221 0.020 1.221
   37L CBL CBW single 1.523 0.020 1.523
   37L CBL N single 1.362 0.020 1.362
   37L CB CA single 1.536 0.020 1.536
   37L CB CAU single 1.519 0.020 1.519
   37L CA N single 1.462 0.020 1.462
   37L CA C single 1.518 0.020 1.518
   37L CBW CBP single 1.513 0.020 1.513
   37L N CBB single 1.466 0.020 1.466
   37L CAU CAV single 1.518 0.020 1.518
   37L CAV CBB single 1.517 0.020 1.517
   37L C O double 1.205 0.020 1.205
   37L C OBI single 1.327 0.020 1.327
   37L CBP CAT aromatic 1.390 0.020 1.390
   37L CBP CAS aromatic 1.390 0.020 1.390
   37L CAT CBT aromatic 1.394 0.020 1.394
   37L OBD CAC single 1.411 0.020 1.411
   37L OBD CBR single 1.349 0.020 1.349
   37L CAE OBF single 1.411 0.020 1.411
   37L OBI CBV single 1.432 0.020 1.432
   37L OBC CAB single 1.411 0.020 1.411
   37L OBC CBQ single 1.350 0.020 1.350
   37L CAS CBS aromatic 1.391 0.020 1.391
   37L CBR CBQ aromatic 1.411 0.020 1.411
   37L CBR CAQ aromatic 1.384 0.020 1.384
   37L CBT OBF single 1.345 0.020 1.345
   37L CBT CBU aromatic 1.394 0.020 1.394
   37L CBQ CAP aromatic 1.383 0.020 1.383
   37L CAQ CBM aromatic 1.399 0.020 1.399
   37L CBV CBA single 1.522 0.020 1.522
   37L CBV CBO single 1.508 0.020 1.508
   37L CBA CAY single 1.529 0.020 1.529
   37L CBS CBU aromatic 1.397 0.020 1.397
   37L CBS OBE single 1.347 0.020 1.347
   37L CAP CAO aromatic 1.395 0.020 1.395
   37L CBU OBG single 1.360 0.020 1.360
   37L CBM CAO aromatic 1.381 0.020 1.381
   37L CBM CAY single 1.503 0.020 1.503
   37L CBO CAN aromatic 1.395 0.020 1.395
   37L CBO CAR aromatic 1.383 0.020 1.383
   37L CAD OBE single 1.412 0.020 1.412
   37L CAN CAL aromatic 1.383 0.020 1.383
   37L CAR CBN aromatic 1.398 0.020 1.398
   37L OBG CAF single 1.422 0.020 1.422
   37L CAL CAM aromatic 1.391 0.020 1.391
   37L CBN CAM aromatic 1.394 0.020 1.394
   37L CBN OBH single 1.343 0.020 1.343
   37L OBH CAX single 1.414 0.020 1.414
   37L CAX CBJ single 1.538 0.020 1.538
   37L CBJ OAG deloc 1.239 0.020 1.239
   37L CBJ OAJ deloc 1.247 0.020 1.247
   37L CAD H1 single 0.970 0.020 1.090
   37L CAD H2 single 0.970 0.020 1.090
   37L CAD H3 single 0.970 0.020 1.090
   37L CAS H4 single 0.930 0.020 1.080
   37L CAF H5 single 0.970 0.020 1.090
   37L CAF H6 single 0.970 0.020 1.090
   37L CAF H7 single 0.970 0.020 1.090
   37L CAE H8 single 0.970 0.020 1.090
   37L CAE H9 single 0.970 0.020 1.090
   37L CAE H10 single 0.970 0.020 1.090
   37L CAT H11 single 0.930 0.020 1.080
   37L CBW H12 single 0.970 0.020 1.090
   37L CAW H13 single 0.970 0.020 1.090
   37L CAW H14 single 0.970 0.020 1.090
   37L CAK H15 single 0.930 0.020 1.080
   37L CAA H16 single 0.930 0.020 1.080
   37L CAA H17 single 0.930 0.020 1.080
   37L CBB H18 single 0.970 0.020 1.090
   37L CBB H19 single 0.970 0.020 1.090
   37L CAV H20 single 0.970 0.020 1.090
   37L CAV H21 single 0.970 0.020 1.090
   37L CAU H22 single 0.970 0.020 1.090
   37L CAU H23 single 0.970 0.020 1.090
   37L CB H24 single 0.970 0.020 1.090
   37L CB H25 single 0.970 0.020 1.090
   37L CA H26 single 0.970 0.020 1.090
   37L CBV H27 single 0.970 0.020 1.090
   37L CBA H28 single 0.970 0.020 1.090
   37L CBA H29 single 0.970 0.020 1.090
   37L CAY H30 single 0.970 0.020 1.090
   37L CAY H31 single 0.970 0.020 1.090
   37L CAQ H32 single 0.930 0.020 1.080
   37L CAO H33 single 0.930 0.020 1.080
   37L CAP H34 single 0.930 0.020 1.080
   37L CAB H35 single 0.970 0.020 1.090
   37L CAB H36 single 0.970 0.020 1.090
   37L CAB H37 single 0.970 0.020 1.090
   37L CAC H38 single 0.970 0.020 1.090
   37L CAC H39 single 0.970 0.020 1.090
   37L CAC H40 single 0.970 0.020 1.090
   37L CAR H41 single 0.930 0.020 1.080
   37L CAN H42 single 0.930 0.020 1.080
   37L CAL H43 single 0.930 0.020 1.080
   37L CAM H44 single 0.930 0.020 1.080
   37L CAX H45 single 0.970 0.020 1.090
   37L CAX H46 single 0.970 0.020 1.090

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
   37L H3 CAD H2 108.69 3.000
   37L H3 CAD H1 108.70 3.000
   37L H2 CAD H1 108.70 3.000
   37L H3 CAD OBE 106.53 3.000
   37L H2 CAD OBE 112.01 3.000
   37L H1 CAD OBE 112.10 3.000
   37L CBS OBE CAD 118.28 3.000
   37L CBU CBS CAS 120.45 3.000
   37L CBU CBS OBE 115.37 3.000
   37L CAS CBS OBE 124.19 3.000
   37L H4 CAS CBP 119.68 3.000
   37L H4 CAS CBS 120.58 3.000
   37L CBP CAS CBS 119.73 3.000
   37L CBT CBU OBG 120.49 3.000
   37L OBG CBU CBS 119.94 3.000
   37L CBT CBU CBS 119.56 3.000
   37L CAF OBG CBU 113.92 3.000
   37L H7 CAF H6 108.32 3.000
   37L H7 CAF H5 109.07 3.000
   37L H6 CAF H5 108.80 3.000
   37L H7 CAF OBG 111.67 3.000
   37L H6 CAF OBG 111.72 3.000
   37L H5 CAF OBG 107.19 3.000
   37L CAT CBT OBF 124.39 3.000
   37L OBF CBT CBU 115.76 3.000
   37L CAT CBT CBU 119.84 3.000
   37L CAE OBF CBT 118.41 3.000
   37L H10 CAE H9 108.61 3.000
   37L H10 CAE H8 108.74 3.000
   37L H9 CAE H8 108.73 3.000
   37L H10 CAE OBF 112.14 3.000
   37L H9 CAE OBF 106.50 3.000
   37L H8 CAE OBF 112.01 3.000
   37L H11 CAT CBP 119.12 3.000
   37L H11 CAT CBT 120.59 3.000
   37L CBP CAT CBT 120.28 3.000
   37L CBW CBP CAT 118.11 3.000
   37L CAT CBP CAS 120.12 3.000
   37L CBW CBP CAS 121.71 3.000
   37L H12 CBW CBL 110.38 3.000
   37L H12 CBW CAW 107.43 3.000
   37L CBL CBW CAW 108.08 3.000
   37L H12 CBW CBP 106.38 3.000
   37L CBL CBW CBP 112.10 3.000
   37L CAW CBW CBP 112.37 3.000
   37L H14 CAW H13 106.85 3.000
   37L H14 CAW CAK 109.76 3.000
   37L H13 CAW CAK 109.76 3.000
   37L H14 CAW CBW 108.83 3.000
   37L H13 CAW CBW 109.51 3.000
   37L CAK CAW CBW 111.98 3.000
   37L H15 CAK CAA 119.23 3.000
   37L H15 CAK CAW 116.34 3.000
   37L CAA CAK CAW 124.43 3.000
   37L H17 CAA H16 116.71 3.000
   37L H17 CAA CAK 121.50 3.000
   37L H16 CAA CAK 121.79 3.000
   37L N CBL OAI 120.87 3.000
   37L N CBL CBW 119.19 3.000
   37L OAI CBL CBW 119.93 3.000
   37L CA N CBB 114.43 3.000
   37L CBB N CBL 121.66 3.000
   37L CA N CBL 116.19 3.000
   37L H19 CBB H18 106.99 3.000
   37L H19 CBB CAV 109.03 3.000
   37L H18 CBB CAV 109.10 3.000
   37L H19 CBB N 110.03 3.000
   37L H18 CBB N 109.12 3.000
   37L CAV CBB N 112.42 3.000
   37L H21 CAV H20 107.23 3.000
   37L H21 CAV CAU 110.27 3.000
   37L H20 CAV CAU 111.24 3.000
   37L H21 CAV CBB 109.54 3.000
   37L H20 CAV CBB 108.10 3.000
   37L CAU CAV CBB 110.38 3.000
   37L H23 CAU H22 107.06 3.000
   37L H23 CAU CB 109.83 3.000
   37L H22 CAU CB 110.15 3.000
   37L H23 CAU CAV 111.01 3.000
   37L H22 CAU CAV 109.83 3.000
   37L CB CAU CAV 108.95 3.000
   37L H25 CB H24 107.25 3.000
   37L H25 CB CA 109.47 3.000
   37L H24 CB CA 107.96 3.000
   37L H25 CB CAU 109.05 3.000
   37L H24 CB CAU 110.95 3.000
   37L CA CB CAU 112.04 3.000
   37L H26 CA C 106.81 3.000
   37L H26 CA CB 108.37 3.000
   37L C CA CB 106.89 3.000
   37L H26 CA N 109.71 3.000
   37L C CA N 113.30 3.000
   37L CB CA N 111.53 3.000
   37L OBI C O 124.19 3.000
   37L OBI C CA 111.88 3.000
   37L O C CA 123.36 3.000
   37L CBV OBI C 118.12 3.000
   37L H27 CBV CBO 109.65 3.000
   37L H27 CBV CBA 109.37 3.000
   37L CBO CBV CBA 110.92 3.000
   37L H27 CBV OBI 109.09 3.000
   37L CBO CBV OBI 111.16 3.000
   37L CBA CBV OBI 106.59 3.000
   37L H29 CBA H28 106.17 3.000
   37L H29 CBA CAY 109.95 3.000
   37L H28 CBA CAY 109.60 3.000
   37L H29 CBA CBV 109.28 3.000
   37L H28 CBA CBV 107.20 3.000
   37L CAY CBA CBV 114.30 3.000
   37L H31 CAY H30 106.20 3.000
   37L H31 CAY CBM 110.17 3.000
   37L H30 CAY CBM 109.17 3.000
   37L H31 CAY CBA 109.61 3.000
   37L H30 CAY CBA 110.22 3.000
   37L CBM CAY CBA 111.34 3.000
   37L CAO CBM CAQ 118.43 3.000
   37L CAO CBM CAY 121.29 3.000
   37L CAQ CBM CAY 120.27 3.000
   37L H32 CAQ CBR 120.13 3.000
   37L H32 CAQ CBM 118.50 3.000
   37L CBR CAQ CBM 121.36 3.000
   37L H33 CAO CAP 119.13 3.000
   37L H33 CAO CBM 119.83 3.000
   37L CAP CAO CBM 121.04 3.000
   37L H34 CAP CBQ 120.81 3.000
   37L H34 CAP CAO 118.68 3.000
   37L CBQ CAP CAO 120.52 3.000
   37L CBR CBQ OBC 115.70 3.000
   37L CBR CBQ CAP 119.05 3.000
   37L OBC CBQ CAP 125.25 3.000
   37L CAB OBC CBQ 117.84 3.000
   37L H37 CAB H36 108.55 3.000
   37L H37 CAB H35 108.67 3.000
   37L H36 CAB H35 108.70 3.000
   37L H37 CAB OBC 112.03 3.000
   37L H36 CAB OBC 112.15 3.000
   37L H35 CAB OBC 106.63 3.000
   37L OBD CBR CBQ 115.48 3.000
   37L CBQ CBR CAQ 119.61 3.000
   37L OBD CBR CAQ 124.92 3.000
   37L CAC OBD CBR 118.05 3.000
   37L H40 CAC H39 108.61 3.000
   37L H40 CAC H38 108.71 3.000
   37L H39 CAC H38 108.71 3.000
   37L H40 CAC OBD 112.13 3.000
   37L H39 CAC OBD 111.99 3.000
   37L H38 CAC OBD 106.58 3.000
   37L CAN CBO CAR 119.70 3.000
   37L CAR CBO CBV 119.58 3.000
   37L CAN CBO CBV 120.66 3.000
   37L H41 CAR CBN 118.89 3.000
   37L H41 CAR CBO 120.08 3.000
   37L CBN CAR CBO 121.03 3.000
   37L H42 CAN CAL 119.96 3.000
   37L H42 CAN CBO 120.71 3.000
   37L CAL CAN CBO 119.33 3.000
   37L H43 CAL CAM 118.91 3.000
   37L H43 CAL CAN 119.70 3.000
   37L CAM CAL CAN 121.40 3.000
   37L H44 CAM CBN 121.62 3.000
   37L H44 CAM CAL 119.06 3.000
   37L CBN CAM CAL 119.32 3.000
   37L OBH CBN CAM 124.77 3.000
   37L OBH CBN CAR 115.99 3.000
   37L CAM CBN CAR 119.23 3.000
   37L CAX OBH CBN 118.92 3.000
   37L H46 CAX H45 106.85 3.000
   37L H46 CAX CBJ 108.82 3.000
   37L H45 CAX CBJ 109.20 3.000
   37L H46 CAX OBH 110.61 3.000
   37L H45 CAX OBH 110.65 3.000
   37L CBJ CAX OBH 110.61 3.000
   37L OAG CBJ OAJ 128.13 3.000
   37L OAJ CBJ CAX 113.50 3.000
   37L OAG CBJ CAX 118.37 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
   37L CONST_01 CAT CBP CAS CBS 0.00 0.0 0
   37L CONST_02 CAT CBT CBU CBS 0.00 0.0 0
   37L CONST_03 CBT CAT CBP CAS 0.00 0.0 0
   37L CONST_04 CBT CBU CBS CAS 0.00 0.0 0
   37L CONST_05 CBP CAT CBT CBU 0.00 0.0 0
   37L CONST_06 CBP CAS CBS CBU 0.00 0.0 0
   37L CONST_07 CBQ CBR CAQ CBM 0.00 0.0 0
   37L CONST_08 CBQ CAP CAO CBM 0.00 0.0 0
   37L CONST_09 CAP CBQ CBR CAQ 0.00 0.0 0
   37L CONST_10 CAP CAO CBM CAQ 0.00 0.0 0
   37L CONST_11 CBR CBQ CAP CAO 0.00 0.0 0
   37L CONST_12 CBR CAQ CBM CAO 0.00 0.0 0
   37L CONST_13 CAM CAL CAN CBO 0.00 0.0 0
   37L CONST_14 CAM CBN CAR CBO 0.00 0.0 0
   37L CONST_15 CAL CAN CBO CAR 0.00 0.0 0
   37L CONST_16 CAL CAM CBN CAR 0.00 0.0 0
   37L CONST_17 CBN CAR CBO CAN 0.00 0.0 0
   37L CONST_18 CBN CAM CAL CAN 0.00 0.0 0
   37L CONST_19 CBP CAS CBS OBE 180.00 0.0 0
   37L CONST_20 CBT CBU CBS OBE 180.00 0.0 0
   37L CONST_21 CBW CBP CAS CBS 180.00 0.0 0
   37L CONST_22 OBF CBT CBU CBS 180.00 0.0 0
   37L CONST_23 OBG CBU CBS CAS 180.00 0.0 0
   37L CONST_24 CAT CBT CBU OBG 180.00 0.0 0
   37L CONST_25 CBW CBP CAT CBT 180.00 0.0 0
   37L CONST_26 CBP CAT CBT OBF 180.00 0.0 0
   37L CONST_27 CAL CAN CBO CBV 180.00 0.0 0
   37L CONST_28 CBN CAR CBO CBV 180.00 0.0 0
   37L CONST_29 CBR CAQ CBM CAY 180.00 0.0 0
   37L CONST_30 CAP CAO CBM CAY 180.00 0.0 0
   37L CONST_31 OBD CBR CAQ CBM 180.00 0.0 0
   37L CONST_32 OBC CBQ CBR CAQ 180.00 0.0 0
   37L CONST_33 OBC CBQ CAP CAO 180.00 0.0 0
   37L CONST_34 OBD CBR CBQ CAP 180.00 0.0 0
   37L CONST_35 OBH CBN CAR CBO 180.00 0.0 0
   37L CONST_36 OBH CBN CAM CAL 180.00 0.0 0
   37L CONST_37 H11 CAT CBP CAS 180.00 0.0 0
   37L CONST_38 H4 CAS CBS CBU 180.00 0.0 0
   37L CONST_39 H34 CAP CAO CBM 180.00 0.0 0
   37L CONST_40 H33 CAO CBM CAQ 180.00 0.0 0
   37L CONST_41 H32 CAQ CBM CAO 180.00 0.0 0
   37L CONST_42 H43 CAL CAN CBO 180.00 0.0 0
   37L CONST_43 H42 CAN CBO CAR 180.00 0.0 0
   37L CONST_44 H44 CAM CBN CAR 180.00 0.0 0
   37L CONST_45 H41 CAR CBO CAN 180.00 0.0 0
   37L CONST_46 CA N CBL CBW 180.00 0.0 0
   37L CONST_47 CA N CBL OAI 0.00 0.0 0
   37L Var_01 CAU CAV CBB N 55.88 30.0 1
   37L Var_02 CB CAU CAV CBB -57.23 30.0 1
   37L Var_03 CA CB CAU CAV 56.10 30.0 1
   37L Var_04 CA N CBB CAV -52.88 30.0 1
   37L Var_05 CAS CBS OBE CAD 2.06 30.0 2
   37L Var_06 CBT CBU OBG CAF -87.80 30.0 3
   37L Var_07 CAT CBT OBF CAE -0.53 30.0 1
   37L Var_08 CAQ CBM CAY CBA -69.39 30.0 3
   37L Var_09 CBR CBQ OBC CAB -178.73 30.0 2
   37L Var_10 CBM CAY CBA CBV -178.39 30.0 3
   37L Var_11 CBJ CAX OBH CBN 178.83 30.0 3
   37L Var_12 H1 CAD OBE CBS -63.16 30.0 3
   37L Var_13 H5 CAF OBG CBU -178.57 30.0 3
   37L Var_14 H8 CAE OBF CBT 60.84 30.0 3
   37L Var_15 H35 CAB OBC CBQ 179.37 30.0 3
   37L Var_16 H38 CAC OBD CBR -179.35 30.0 3
   37L Var_17 CAA CAK CAW CBW 116.23 30.0 2
   37L Var_18 OAG CBJ CAX OBH -1.30 30.0 3
   37L Var_19 H16 CAA CAK CAW 0.15 0.0 2
   37L Var_20 CAU CB CA N -52.45 30.0 1
   37L Var_21 CB CA N CBB 50.37 30.0 1
   37L Var_22 CB CA N CBL -159.64 30.0 1
   37L Var_23 C CA N CBB 171.03 30.0 1
   37L Var_24 C CA CB CAU -176.80 30.0 1
   37L Var_25 H24 CB CA N -174.91 30.0 1
   37L Var_26 H25 CB CA N 68.65 30.0 1
   37L Var_27 H26 CA N CBB -69.71 30.0 1
   37L Var_28 CAW CBW CBP CAS 58.09 30.0 3
   37L Var_29 CBL CBW CBP CAS -63.87 30.0 3
   37L Var_30 CAW CBW CBP CAT -118.97 30.0 3
   37L Var_31 CBL CBW CBP CAT 119.07 30.0 3
   37L Var_32 N CBL CBW CBP -129.36 30.0 3
   37L Var_33 C CA N CBL -38.97 30.0 1
   37L Var_34 O C CA N 136.09 30.0 3
   37L Var_35 OBI C CA N -52.23 30.0 3
   37L Var_36 O C CA CB -100.65 30.0 3
   37L Var_37 OBI C CA CB 71.03 30.0 3
   37L Var_38 CAN CBO CBV OBI 44.84 30.0 2
   37L Var_39 CAR CBO CBV OBI -138.10 30.0 2
   37L Var_40 CAN CBO CBV CBA -73.57 30.0 2
   37L Var_41 CAR CBO CBV CBA 103.49 30.0 2
   37L Var_42 CAC OBD CBR CAQ -1.60 30.0 2
   37L Var_43 CAC OBD CBR CBQ 178.20 30.0 2
   37L Var_44 CAX OBH CBN CAR 179.84 30.0 2
   37L Var_45 CAX OBH CBN CAM 0.22 30.0 2
   37L Var_46 H12 CBW CBP CAS 175.38 30.0 3
   37L Var_47 H27 CBV CBO CAR -17.40 30.0 2
   37L Var_48 CAK CAW CBW CBP 59.16 30.0 1
   37L Var_49 OAI CBL CBW CBP 50.62 30.0 3
   37L Var_50 N CBL CBW CAW 106.26 30.0 3
   37L Var_51 CBV OBI C CA -176.92 30.0 3
   37L Var_52 CBO CBV OBI C 69.02 30.0 3
   37L Var_53 CBO CBV CBA CAY -176.47 30.0 1
   37L Var_54 H13 CAW CBW CBP -178.85 30.0 1
   37L Var_55 H14 CAW CBW CBP -62.36 30.0 1
   37L Var_56 OAI CBL CBW CAW -73.76 30.0 3
   37L Var_57 CBL CBW CAW CAK -176.62 30.0 3
   37L Var_58 CBA CBV OBI C -169.99 30.0 3
   37L Var_59 CBV OBI C O -5.32 30.0 3
   37L Var_60 CAY CBA CBV OBI 62.39 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
   37L chir_01 CBW CAW CBL CBP positiv
   37L chir_02 CA N C CB positiv
   37L chir_03 CBV OBI CBA CBO 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
   37L plan-1 OBE 0.020
   37L plan-1 CBS 0.020
   37L plan-1 CAS 0.020
   37L plan-1 CBU 0.020
   37L plan-1 OBG 0.020
   37L plan-1 CBT 0.020
   37L plan-1 OBF 0.020
   37L plan-1 CAT 0.020
   37L plan-1 CBP 0.020
   37L plan-1 CBW 0.020
   37L plan-1 H4 0.020
   37L plan-1 H11 0.020
   37L plan-2 CAY 0.020
   37L plan-2 CBM 0.020
   37L plan-2 CAQ 0.020
   37L plan-2 CAO 0.020
   37L plan-2 CAP 0.020
   37L plan-2 CBQ 0.020
   37L plan-2 OBC 0.020
   37L plan-2 CBR 0.020
   37L plan-2 OBD 0.020
   37L plan-2 H32 0.020
   37L plan-2 H33 0.020
   37L plan-2 H34 0.020
   37L plan-3 CBV 0.020
   37L plan-3 CBO 0.020
   37L plan-3 CAR 0.020
   37L plan-3 CAN 0.020
   37L plan-3 CAL 0.020
   37L plan-3 CAM 0.020
   37L plan-3 CBN 0.020
   37L plan-3 OBH 0.020
   37L plan-3 H41 0.020
   37L plan-3 H42 0.020
   37L plan-3 H43 0.020
   37L plan-3 H44 0.020
   37L plan-4 CBW 0.020
   37L plan-4 CBL 0.020
   37L plan-4 OAI 0.020
   37L plan-4 N 0.020
   37L plan-4 CBB 0.020
   37L plan-4 CA 0.020
   37L plan-5 CAX 0.020
   37L plan-5 CBJ 0.020
   37L plan-5 OAJ 0.020
   37L plan-5 OAG 0.020
   37L plan-6 CAW 0.020
   37L plan-6 CAK 0.020
   37L plan-6 CAA 0.020
   37L plan-6 H15 0.020
   37L plan-6 H16 0.020
   37L plan-6 H17 0.020
   37L plan-7 CA 0.020
   37L plan-7 C 0.020
   37L plan-7 O 0.020
   37L plan-7 OBI 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   37L plan-1
   37L plan-2
   37L plan-3
   37L plan-4
   37L plan-5
   37L plan-6
   37L plan-7

loop_
  _chem_comp.id
  _chem_comp.three_letter_code
  _chem_comp.name
  _chem_comp.group
  _chem_comp.number_atoms_all
  _chem_comp.number_atoms_nh
  _chem_comp.desc_level
   37L 37L '(3-{(1R)-3-(3,4-dimethoxyphenyl)-1-[({(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)pent-4-enoyl]piperidin-2-yl}carbonyl)oxy]propyl}phenoxy)acetic acid' ligand 97 51 .

data_comp_GOL
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
   GOL C1 C CH2 0 -0.152 29.6298 2.1025 30.9776
   GOL O1 O OH1 0 -0.666 28.2700 1.8661 30.7005
   GOL C2 C CH1 0 -0.013 30.2386 2.9038 29.8466
   GOL O2 O OH1 0 -0.668 29.6164 4.1681 29.8048
   GOL C3 C CH2 0 -0.170 31.7401 3.0348 30.0466
   GOL O3 O OH1 0 -0.671 32.2536 3.7872 28.9689
   GOL H11 H HCH2 0 0.194 29.7648 2.6515 31.9197
   GOL H12 H HCH2 0 0.197 30.1916 1.1640 31.0710
   GOL HO1 H HOH1 0 0.452 27.9044 1.3487 31.4232
   GOL H2 H HCH1 0 0.200 30.0683 2.3541 28.9067
   GOL HO2 H HOH1 0 0.443 30.0828 4.6994 29.1509
   GOL H31 H HCH2 0 0.201 31.9376 3.5237 31.0094
   GOL H32 H HCH2 0 0.196 32.1887 2.0344 30.0909
   GOL HO3 H HOH1 0 0.457 33.1352 4.0920 29.2000

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
   GOL C1 O1 single 1.408 0.020 1.408
   GOL C1 C2 single 1.514 0.020 1.514
   GOL C1 H11 single 0.970 0.020 1.090
   GOL C1 H12 single 0.970 0.020 1.090
   GOL O1 HO1 single 0.850 0.020 0.980
   GOL C2 O2 single 1.410 0.020 1.410
   GOL C2 C3 single 1.520 0.020 1.520
   GOL C2 H2 single 0.970 0.020 1.090
   GOL O2 HO2 single 0.850 0.020 0.980
   GOL C3 O3 single 1.411 0.020 1.411
   GOL C3 H31 single 0.970 0.020 1.090
   GOL C3 H32 single 0.970 0.020 1.090
   GOL O3 HO3 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
   GOL H12 C1 H11 106.94 3.000
   GOL H12 C1 C2 108.08 3.000
   GOL H11 C1 C2 109.07 3.000
   GOL H12 C1 O1 111.57 3.000
   GOL H11 C1 O1 111.79 3.000
   GOL C2 C1 O1 109.28 3.000
   GOL HO1 O1 C1 108.05 3.000
   GOL H2 C2 C3 107.93 3.000
   GOL H2 C2 O2 110.73 3.000
   GOL C3 C2 O2 111.25 3.000
   GOL H2 C2 C1 108.12 3.000
   GOL C3 C2 C1 110.15 3.000
   GOL O2 C2 C1 108.63 3.000
   GOL HO2 O2 C2 107.53 3.000
   GOL H32 C3 H31 107.28 3.000
   GOL H32 C3 O3 111.60 3.000
   GOL H31 C3 O3 111.52 3.000
   GOL H32 C3 C2 109.30 3.000
   GOL H31 C3 C2 109.36 3.000
   GOL O3 C3 C2 107.75 3.000
   GOL HO3 O3 C3 108.62 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
   GOL Var_01 O3 C3 C2 C1 -180.00 30.0 3
   GOL Var_02 O2 C2 C1 O1 64.36 30.0 3
   GOL Var_03 HO2 O2 C2 C1 173.53 30.0 3
   GOL Var_04 HO1 O1 C1 C2 179.36 30.0 3
   GOL Var_05 HO3 O3 C3 C2 164.00 30.0 3

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
   GOL GOL 'propane-1,2,3-triol      ' ligand 14 6 .

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

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

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

