data_8pyo_qFit
_cell.length_a                    79.200
_cell.length_b                    79.200
_cell.length_c                    38.200
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      239614.834
_space_group.crystal_system       tetragonal
_space_group.IT_number            96
_space_group.name_H-M_alt         'P 43 21 2'
_space_group.name_Hall            ' P 4nw 2abw'
_symmetry.space_group_name_H-M    'P 43 21 2'
_symmetry.space_group_name_Hall   ' P 4nw 2abw'
_symmetry.Int_Tables_number       96
_reflns.B_iso_Wilson_estimate     21.88
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              39.60
_refine.ls_d_res_high             1.43
_refine.pdbx_ls_sigma_F           1.36
_refine.ls_percent_reflns_obs     99.93
_refine.ls_number_reflns_obs      23036
_refine.ls_number_reflns_R_work   21036
_refine.ls_number_reflns_R_free   2000
_refine.ls_R_factor_obs           0.1875
_refine.ls_R_factor_R_work        0.1851
_refine.ls_R_factor_R_free        0.2136
_refine.ls_percent_reflns_R_free  8.68
_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             0.2353
_refine.pdbx_overall_phase_error  25.4913
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                27.01
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 -y+1/2,x+1/2,z+3/4
   3 y+1/2,-x+1/2,z+1/4
   4 x+1/2,-y+1/2,-z+1/4
   5 -x+1/2,y+1/2,-z+3/4
   6 -x,-y,z+1/2
   7 y,x,-z
   8 -y,-x,-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 1090 0.0079 ? ?
   'X-RAY DIFFRACTION' f_angle_d 1485 0.9217 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 153 0.0863 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 197 0.0084 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 396 13.8925 ? ?

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' 3.45 39.60 1635 0.1617 99.61 0.1656 156
   'X-RAY DIFFRACTION' 2.74 3.45 1540 0.1687 100.00 0.1894 147
   'X-RAY DIFFRACTION' 2.39 2.73 1524 0.1697 100.00 0.1846 144
   'X-RAY DIFFRACTION' 2.17 2.39 1525 0.1678 100.00 0.2024 145
   'X-RAY DIFFRACTION' 2.02 2.17 1486 0.1675 99.94 0.2219 141
   'X-RAY DIFFRACTION' 1.90 2.02 1496 0.1664 100.00 0.2336 142
   'X-RAY DIFFRACTION' 1.80 1.90 1489 0.1859 100.00 0.2326 142
   'X-RAY DIFFRACTION' 1.72 1.80 1473 0.2073 100.00 0.2775 140
   'X-RAY DIFFRACTION' 1.66 1.72 1490 0.2768 99.94 0.3238 142
   'X-RAY DIFFRACTION' 1.60 1.66 1471 0.2438 100.00 0.2895 140
   'X-RAY DIFFRACTION' 1.55 1.60 1489 0.2683 100.00 0.3398 141
   'X-RAY DIFFRACTION' 1.51 1.55 1475 0.3399 99.94 0.3530 141
   'X-RAY DIFFRACTION' 1.47 1.51 1441 0.3922 99.87 0.4136 136
   'X-RAY DIFFRACTION' 1.43 1.47 1502 0.4395 99.82 0.4626 143

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

loop_
  _struct_conn.id
  _struct_conn.conn_type_id
  _struct_conn.ptnr1_auth_comp_id
  _struct_conn.ptnr1_auth_asym_id
  _struct_conn.ptnr1_auth_seq_id
  _struct_conn.ptnr1_auth_atom_id
  _struct_conn.ptnr1_label_comp_id
  _struct_conn.ptnr1_label_asym_id
  _struct_conn.ptnr1_label_seq_id
  _struct_conn.ptnr1_label_atom_id
  _struct_conn.ptnr1_role
  _struct_conn.ptnr2_auth_comp_id
  _struct_conn.ptnr2_auth_asym_id
  _struct_conn.ptnr2_auth_seq_id
  _struct_conn.ptnr2_auth_atom_id
  _struct_conn.ptnr2_label_comp_id
  _struct_conn.ptnr2_label_asym_id
  _struct_conn.ptnr2_label_seq_id
  _struct_conn.ptnr2_label_atom_id
  _struct_conn.ptnr2_role
  _struct_conn.details
   C00001 disulf CYS A 6 SG CYS A 6 SG . CYS A 127 SG CYS A 127 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'
   C00002 disulf CYS A 30 SG CYS A 30 SG . CYS A 115 SG CYS A 115 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'
   C00003 disulf CYS A 64 SG CYS A 64 SG . CYS A 80 SG CYS A 80 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'
   C00004 disulf CYS A 76 SG CYS A 76 SG . CYS A 94 SG CYS A 94 SG . 'Comput. Cryst. Newsl. (2015), 6, 13-13.'

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.
;
 .
   Cl . . 9.50761 7.44341 . . 1.04373 23.83732 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Na1+ . . 5.56094 4.42395 . . 7.30808 1.06976 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   CL
   CYS
   GLN
   GLU
   GLY
   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 . LYS A 1 ? -9.82851 3.04589 -18.30018 1.000 22.87255 N ? A ? 1 N 1
   ATOM 2 CA . LYS A 1 ? -10.25310 2.13012 -19.35902 1.000 24.83093 C ? A ? 1 CA 1
   ATOM 3 C . LYS A 1 ? -11.76358 2.23449 -19.55872 1.000 21.21547 C ? A ? 1 C 1
   ATOM 4 O . LYS A 1 ? -12.51107 2.31114 -18.58061 1.000 22.18390 O ? A ? 1 O 1
   ATOM 5 CB . LYS A 1 ? -9.84919 0.69224 -18.99205 1.000 23.59483 C ? A ? 1 CB 1
   ATOM 6 CG . LYS A 1 ? -10.31798 -0.31012 -19.99840 1.000 30.26499 C ? A ? 1 CG 1
   ATOM 7 CD . LYS A 1 ? -9.80806 -1.69468 -19.64707 1.000 25.79161 C ? A ? 1 CD 1
   ATOM 8 CE . LYS A 1 ? -10.34310 -2.73990 -20.62074 1.000 34.29164 C ? A ? 1 CE 1
   ATOM 9 NZ . LYS A 1 ? -9.80065 -4.07460 -20.24506 1.000 44.83067 N ? A ? 1 NZ 1
   ATOM 10 N . VAL A 2 ? -12.20618 2.30400 -20.81530 1.000 22.90190 N ? A ? 2 N 1
   ATOM 11 CA . VAL A 2 ? -13.62094 2.23195 -21.16215 1.000 22.60954 C ? A ? 2 CA 1
   ATOM 12 C . VAL A 2 ? -13.87166 0.81998 -21.66355 1.000 26.94780 C ? A ? 2 C 1
   ATOM 13 O . VAL A 2 ? -13.33289 0.41877 -22.70259 1.000 26.41612 O ? A ? 2 O 1
   ATOM 14 CB . VAL A 2 ? -14.00451 3.26903 -22.22152 1.000 25.54825 C ? A ? 2 CB 1
   ATOM 15 CG1 . VAL A 2 ? -15.45297 3.09032 -22.62990 1.000 30.80993 C ? A ? 2 CG1 1
   ATOM 16 CG2 . VAL A 2 ? -13.77715 4.68609 -21.69147 1.000 23.05259 C ? A ? 2 CG2 1
   ATOM 17 N . PHE A 3 ? -14.65876 0.05255 -20.91234 1.000 21.40942 N ? A ? 3 N 1
   ATOM 18 CA . PHE A 3 ? -14.89949 -1.34051 -21.26123 1.000 28.41640 C ? A ? 3 CA 1
   ATOM 19 C . PHE A 3 ? -15.91792 -1.44490 -22.38563 1.000 27.38751 C ? A ? 3 C 1
   ATOM 20 O . PHE A 3 ? -16.80599 -0.60887 -22.52966 1.000 24.37713 O ? A ? 3 O 1
   ATOM 21 CB . PHE A 3 ? -15.47288 -2.08295 -20.05372 1.000 25.82858 C ? A ? 3 CB 1
   ATOM 22 CG . PHE A 3 ? -14.43853 -2.65175 -19.14789 1.000 20.97822 C ? A ? 3 CG 1
   ATOM 23 CD1 . PHE A 3 ? -13.82643 -1.86374 -18.18394 1.000 26.83696 C ? A ? 3 CD1 1
   ATOM 24 CD2 . PHE A 3 ? -14.06422 -3.99255 -19.24414 1.000 22.55889 C ? A ? 3 CD2 1
   ATOM 25 CE1 . PHE A 3 ? -12.84426 -2.39947 -17.34521 1.000 25.10032 C ? A ? 3 CE1 1
   ATOM 26 CE2 . PHE A 3 ? -13.08369 -4.52910 -18.41792 1.000 28.91642 C ? A ? 3 CE2 1
   ATOM 27 CZ . PHE A 3 ? -12.48265 -3.73840 -17.45752 1.000 30.31531 C ? A ? 3 CZ 1
   ATOM 28 N . GLY A 4 ? -15.79483 -2.50821 -23.18543 1.000 30.32544 N ? A ? 4 N 1
   ATOM 29 CA . GLY A 4 ? -16.91384 -2.91912 -23.99773 1.000 29.28388 C ? A ? 4 CA 1
   ATOM 30 C . GLY A 4 ? -17.92691 -3.68607 -23.16806 1.000 25.63573 C ? A ? 4 C 1
   ATOM 31 O . GLY A 4 ? -17.60229 -4.21954 -22.11016 1.000 21.63754 O ? A ? 4 O 1
   ATOM 32 N . ARG A 5 ? -19.15480 -3.74467 -23.68202 1.000 33.85455 N ? A ? 5 N 1
   ATOM 33 CA . ARG A 5 ? -20.25301 -4.38353 -22.96667 1.000 26.66264 C ? A ? 5 CA 1
   ATOM 34 C . ARG A 5 ? -19.93219 -5.84311 -22.63769 1.000 28.61854 C ? A ? 5 C 1
   ATOM 35 O . ARG A 5 ? -19.96205 -6.26361 -21.46896 1.000 25.81543 O ? A ? 5 O 1
   ATOM 36 CB . ARG A 5 ? -21.51628 -4.27203 -23.82291 1.000 30.61907 C ? A ? 5 CB 1
   ATOM 37 CG . ARG A 5 ? -22.73503 -4.96241 -23.24270 1.000 30.70032 C ? A ? 5 CG 1
   ATOM 38 CD . ARG A 5 ? -23.98000 -4.70420 -24.08551 1.000 27.62326 C ? A ? 5 CD 1
   ATOM 39 NE . ARG A 5 ? -23.91610 -5.30839 -25.41325 1.000 37.79919 N ? A ? 5 NE 1
   ATOM 40 CZ . ARG A 5 ? -24.22976 -6.57046 -25.67917 1.000 40.81827 C ? A ? 5 CZ 1
   ATOM 41 NH1 . ARG A 5 ? -24.59905 -7.41265 -24.72187 1.000 34.64393 N ? A ? 5 NH1 1
   ATOM 42 NH2 . ARG A 5 ? -24.15716 -7.00596 -26.93436 1.000 44.88646 N ? A ? 5 NH2 1
   ATOM 43 N . CYS A 6 ? -19.60207 -6.64145 -23.65905 1.000 27.52904 N ? A ? 6 N 1
   ATOM 44 CA . CYS A 6 ? -19.34060 -8.05316 -23.40095 1.000 28.24815 C ? A ? 6 CA 1
   ATOM 45 C . CYS A 6 ? -18.02112 -8.26054 -22.66619 1.000 26.86948 C ? A ? 6 C 1
   ATOM 46 O . CYS A 6 ? -17.89720 -9.19141 -21.86599 1.000 25.68803 O ? A ? 6 O 1
   ATOM 47 CB . CYS A 6 ? -19.40334 -8.86361 -24.70748 1.000 30.06154 C ? A ? 6 CB 1
   ATOM 48 SG . CYS A 6 ? -21.05244 -8.89493 -25.46631 1.000 33.75598 S ? A ? 6 SG 1
   ATOM 49 N . GLU A 7 ? -17.02917 -7.39176 -22.90839 1.000 24.50199 N ? A ? 7 N 1
   ATOM 50 CA . GLU A 7 ? -15.77671 -7.46660 -22.17918 1.000 20.13527 C ? A ? 7 CA 1
   ATOM 51 C . GLU A 7 ? -15.99243 -7.28651 -20.68425 1.000 21.09119 C ? A ? 7 C 1
   ATOM 52 O . GLU A 7 ? -15.39255 -7.99408 -19.86949 1.000 23.40638 O ? A ? 7 O 1
   ATOM 53 CB . GLU A 7 ? -14.84363 -6.36557 -22.69046 1.000 24.74551 C ? A ? 7 CB 1
   ATOM 54 CG . GLU A 7 ? -13.46096 -6.41518 -22.10370 1.000 34.18426 C ? A ? 7 CG 1
   ATOM 55 CD . GLU A 7 ? -12.61804 -5.20309 -22.47157 1.000 35.33183 C ? A ? 7 CD 1
   ATOM 56 OE1 . GLU A 7 ? -13.16785 -4.17866 -22.95622 1.000 31.85399 O ? A ? 7 OE1 1
   ATOM 57 OE2 . GLU A 7 ? -11.39470 -5.28255 -22.26202 1.000 38.71805 O ? A ? 7 OE2 1
   ATOM 58 N . LEU A 8 ? -16.85592 -6.34050 -20.29957 1.000 26.02192 N ? A ? 8 N 1
   ATOM 59 CA . LEU A 8 ? -17.11175 -6.13174 -18.87807 1.000 21.25393 C ? A ? 8 CA 1
   ATOM 60 C . LEU A 8 ? -17.92400 -7.27426 -18.29633 1.000 22.90652 C ? A ? 8 C 1
   ATOM 61 O . LEU A 8 ? -17.66350 -7.70525 -17.16991 1.000 22.70354 O ? A ? 8 O 1
   ATOM 62 CB . LEU A 8 ? -17.84543 -4.80727 -18.67740 1.000 21.34343 C ? A ? 8 CB 1
   ATOM 63 CG . LEU A 8 ? -18.21325 -4.48220 -17.22691 1.000 26.19979 C ? A ? 8 CG 1
   ATOM 64 CD1 . LEU A 8 ? -16.93696 -4.18180 -16.46264 1.000 27.13053 C ? A ? 8 CD1 1
   ATOM 65 CD2 . LEU A 8 ? -19.22975 -3.32083 -17.15130 1.000 27.55393 C ? A ? 8 CD2 1
   ATOM 66 N . ALA A 9 ? -18.91463 -7.75916 -19.05274 1.000 21.59429 N ? A ? 9 N 1
   ATOM 67 CA . ALA A 9 ? -19.70526 -8.91241 -18.63504 1.000 22.60407 C ? A ? 9 CA 1
   ATOM 68 C . ALA A 9 ? -18.80464 -10.08645 -18.28603 1.000 21.75826 C ? A ? 9 C 1
   ATOM 69 O . ALA A 9 ? -18.92808 -10.67135 -17.21028 1.000 23.59922 O ? A ? 9 O 1
   ATOM 70 CB . ALA A 9 ? -20.72495 -9.28956 -19.72387 1.000 27.06838 C ? A ? 9 CB 1
   ATOM 71 N . ALA A 10 ? -17.83178 -10.39069 -19.15497 1.000 21.80793 N ? A ? 10 N 1
   ATOM 72 CA . ALA A 10 ? -16.91157 -11.49226 -18.89139 1.000 26.03622 C ? A ? 10 CA 1
   ATOM 73 C . ALA A 10 ? -16.04530 -11.23769 -17.66161 1.000 26.51381 C ? A ? 10 C 1
   ATOM 74 O . ALA A 10 ? -15.83310 -12.13859 -16.84900 1.000 25.36433 O ? A ? 10 O 1
   ATOM 75 CB . ALA A 10 ? -16.03210 -11.74130 -20.11815 1.000 33.18237 C ? A ? 10 CB 1
   ATOM 76 N . ALA A 11 ? -15.52946 -10.01888 -17.50133 1.000 23.28655 N ? A ? 11 N 1
   ATOM 77 CA . ALA A 11 ? -14.71771 -9.72974 -16.32536 1.000 21.54844 C ? A ? 11 CA 1
   ATOM 78 C . ALA A 11 ? -15.53511 -9.84474 -15.04931 1.000 23.91758 C ? A ? 11 C 1
   ATOM 79 O . ALA A 11 ? -15.05432 -10.38582 -14.04024 1.000 23.73919 O ? A ? 11 O 1
   ATOM 80 CB . ALA A 11 ? -14.08745 -8.33338 -16.44087 1.000 23.61740 C ? A ? 11 CB 1
   ATOM 81 N . MET A 12 ? -16.77202 -9.32965 -15.07145 1.000 20.97236 N ? A ? 12 N 1
   ATOM 82 CA . MET A 12 ? -17.64005 -9.45769 -13.90653 1.000 24.00272 C ? A ? 12 CA 1
   ATOM 83 C . MET A 12 ? -17.95938 -10.91619 -13.59754 1.000 24.49845 C ? A ? 12 C 1
   ATOM 84 O . MET A 12 ? -17.97362 -11.31509 -12.42742 1.000 27.21745 O ? A ? 12 O 1
   ATOM 85 CB . MET A 12 ? -18.92051 -8.64904 -14.12813 1.000 19.59513 C ? A ? 12 CB 1
   ATOM 86 CG . MET A 12 ? -18.69643 -7.15086 -13.91818 1.000 19.92589 C ? A ? 12 CG 1
   ATOM 87 SD . MET A 12 ? -20.18275 -6.24888 -14.29940 1.000 22.72845 S ? A ? 12 SD 1
   ATOM 88 CE . MET A 12 ? -19.79339 -4.67158 -13.52059 1.000 23.72891 C ? A ? 12 CE 1
   ATOM 89 N . LYS A 13 ? -18.22279 -11.72548 -14.62816 1.000 23.55364 N ? A ? 13 N 1
   ATOM 90 CA . LYS A 13 ? -18.49953 -13.14774 -14.41170 1.000 27.50906 C ? A ? 13 CA 1
   ATOM 91 C . LYS A 13 ? -17.30422 -13.85572 -13.77997 1.000 26.15042 C ? A ? 13 C 1
   ATOM 92 O . LYS A 13 ? -17.45496 -14.63495 -12.82685 1.000 25.95866 O ? A ? 13 O 1
   ATOM 93 CB . LYS A 13 ? -18.87740 -13.79165 -15.74491 1.000 23.71566 C ? A ? 13 CB 1
   ATOM 94 CG . LYS A 13 ? -19.30302 -15.27234 -15.64348 1.000 31.16249 C ? A ? 13 CG 1
   ATOM 95 CD . LYS A 13 ? -19.87583 -15.75672 -16.95803 1.000 41.29631 C ? A ? 13 CD 1
   ATOM 96 CE . LYS A 13 ? -20.46252 -17.16919 -16.83269 1.000 57.50763 C ? A ? 13 CE 1
   ATOM 97 NZ . LYS A 13 ? -21.11937 -17.38585 -15.50606 1.000 58.04074 N ? A ? 13 NZ 1
   ATOM 98 N . ARG A 14 ? -16.09287 -13.60290 -14.30986 1.000 23.82882 N ? A ? 14 N 1
   ATOM 99 CA . ARG A 14 ? -14.89865 -14.23292 -13.77144 1.000 26.88197 C ? A ? 14 CA 1
   ATOM 100 C . ARG A 14 ? -14.67172 -13.85426 -12.32058 1.000 26.65657 C ? A ? 14 C 1
   ATOM 101 O . ARG A 14 ? -14.10021 -14.63795 -11.56263 1.000 28.89173 O ? A ? 14 O 1
   ATOM 102 CB . ARG A 14 ? -13.67106 -13.86060 -14.60861 1.000 34.86605 C ? A ? 14 CB 1
   ATOM 103 CG . ARG A 14 ? -12.36824 -14.40819 -14.02398 1.000 39.55286 C ? A ? 14 CG 1
   ATOM 104 CD . ARG A 14 ? -11.19102 -14.21725 -14.96219 1.000 45.35199 C ? A ? 14 CD 1
   ATOM 105 NE . ARG A 14 ? -10.81983 -12.81433 -15.11144 1.000 49.92347 N ? A ? 14 NE 1
   ATOM 106 CZ . ARG A 14 ? -9.90190 -12.20638 -14.37260 1.000 41.08097 C ? A ? 14 CZ 1
   ATOM 107 NH1 . ARG A 14 ? -9.28806 -12.83047 -13.38132 1.000 43.31089 N ? A ? 14 NH1 1
   ATOM 108 NH2 . ARG A 14 ? -9.58005 -10.94701 -14.64591 1.000 40.82037 N ? A ? 14 NH2 1
   ATOM 109 N . HIS A 15 ? -15.10552 -12.65560 -11.91907 1.000 28.70069 N ? A ? 15 N 1
   ATOM 110 CA . HIS A 15 ? -14.95548 -12.17677 -10.55610 1.000 28.90459 C ? A ? 15 CA 1
   ATOM 111 C . HIS A 15 ? -16.12744 -12.54427 -9.65584 1.000 27.29881 C ? A ? 15 C 1
   ATOM 112 O . HIS A 15 ? -16.17424 -12.06426 -8.52024 1.000 28.78789 O ? A ? 15 O 1
   ATOM 113 CB . HIS A 15 ? -14.73338 -10.66625 -10.53712 1.000 25.91541 C ? A ? 15 CB 1
   ATOM 114 CG . HIS A 15 ? -13.35778 -10.26014 -10.95845 1.000 28.20291 C ? A ? 15 CG 1
   ATOM 115 ND1 . HIS A 15 ? -12.24000 -10.53321 -10.19908 1.000 42.43951 N ? A ? 15 ND1 1
   ATOM 116 CD2 . HIS A 15 ? -12.91377 -9.61993 -12.06620 1.000 28.96328 C ? A ? 15 CD2 1
   ATOM 117 CE1 . HIS A 15 ? -11.16796 -10.07640 -10.81837 1.000 34.69406 C ? A ? 15 CE1 1
   ATOM 118 NE2 . HIS A 15 ? -11.54771 -9.51832 -11.95345 1.000 37.49919 N ? A ? 15 NE2 1
   ATOM 119 N . GLY A 16 ? -17.04505 -13.39339 -10.12209 1.000 25.33530 N ? A ? 16 N 1
   ATOM 120 CA . GLY A 16 ? -18.04765 -13.99611 -9.26145 1.000 25.55733 C ? A ? 16 CA 1
   ATOM 121 C . GLY A 16 ? -19.31652 -13.19615 -9.06605 1.000 25.20052 C ? A ? 16 C 1
   ATOM 122 O . GLY A 16 ? -20.07911 -13.49457 -8.13518 1.000 29.27272 O ? A ? 16 O 1
   ATOM 123 N . LEU A 17 ? -19.59563 -12.22230 -9.93517 1.000 29.21638 N ? A ? 17 N 1
   ATOM 124 CA . LEU A 17 ? -20.79554 -11.40486 -9.75567 1.000 26.01436 C ? A ? 17 CA 1
   ATOM 125 C . LEU A 17 ? -22.05913 -12.03221 -10.32663 1.000 31.33920 C ? A ? 17 C 1
   ATOM 126 O . LEU A 17 ? -23.16247 -11.59606 -9.96984 1.000 24.80694 O ? A ? 17 O 1
   ATOM 127 CB . LEU A 17 ? -20.61488 -10.02833 -10.38967 1.000 25.52447 C ? A ? 17 CB 1
   ATOM 128 CG . LEU A 17 ? -19.83495 -9.01242 -9.57895 1.000 28.49199 C ? A ? 17 CG 1
   ATOM 129 CD1 . LEU A 17 ? -19.86216 -7.66819 -10.30721 1.000 30.75119 C ? A ? 17 CD1 1
   ATOM 130 CD2 . LEU A 17 ? -20.39841 -8.86194 -8.18316 1.000 28.81719 C ? A ? 17 CD2 1
   ATOM 131 N . ASP A 18 ? -21.94973 -13.02785 -11.20764 1.000 27.83672 N ? A ? 18 N 1
   ATOM 132 CA . ASP A 18 ? -23.14437 -13.57370 -11.82725 1.000 27.08834 C ? A ? 18 CA 1
   ATOM 133 C . ASP A 18 ? -23.93714 -14.33400 -10.77661 1.000 31.32421 C ? A ? 18 C 1
   ATOM 134 O . ASP A 18 ? -23.44698 -15.32592 -10.21298 1.000 27.67636 O ? A ? 18 O 1
   ATOM 135 CB . ASP A 18 ? -22.79079 -14.50926 -12.97881 1.000 29.76087 C ? A ? 18 CB 1
   ATOM 136 CG . ASP A 18 ? -24.02774 -14.95981 -13.77819 1.000 36.30931 C ? A ? 18 CG 1
   ATOM 137 OD1 . ASP A 18 ? -23.86136 -15.85963 -14.63480 1.000 46.21887 O ? A ? 18 OD1 1
   ATOM 138 OD2 . ASP A 18 ? -25.16059 -14.43082 -13.57721 1.000 32.53621 O ? A ? 18 OD2 1
   ATOM 139 N . ASN A 19 ? -25.14741 -13.85609 -10.49689 1.000 27.34399 N ? A ? 19 N 1
   ATOM 140 CA . ASN A 19 ? -26.03660 -14.43493 -9.50452 1.000 27.65577 C ? A ? 19 CA 1
   ATOM 141 C . ASN A 19 ? -25.60802 -14.14242 -8.07431 1.000 24.75805 C ? A ? 19 C 1
   ATOM 142 O . ASN A 19 ? -26.13932 -14.75785 -7.13454 1.000 27.49039 O ? A ? 19 O 1
   ATOM 143 CB . ASN A 19 ? -26.24011 -15.93859 -9.73778 1.000 31.78461 C ? A ? 19 CB 1
   ATOM 144 CG . ASN A 19 ? -26.96309 -16.22355 -11.04021 1.000 38.70934 C ? A ? 19 CG 1
   ATOM 145 OD1 . ASN A 19 ? -27.92204 -15.53516 -11.39050 1.000 50.12148 O ? A ? 19 OD1 1
   ATOM 146 ND2 . ASN A 19 ? -26.49954 -17.23438 -11.77056 1.000 50.84749 N ? A ? 19 ND2 1
   ATOM 147 N . TYR A 20 ? -24.65873 -13.23225 -7.87171 1.000 24.18230 N ? A ? 20 N 1
   ATOM 148 CA . TYR A 20 ? -24.25836 -12.86944 -6.52128 1.000 20.90046 C ? A ? 20 CA 1
   ATOM 149 C . TYR A 20 ? -25.43186 -12.22025 -5.78683 1.000 26.52716 C ? A ? 20 C 1
   ATOM 150 O . TYR A 20 ? -26.04331 -11.26915 -6.28765 1.000 24.37539 O ? A ? 20 O 1
   ATOM 151 CB . TYR A 20 ? -23.02247 -11.95201 -6.55475 1.000 25.70284 C ? A ? 20 CB 1
   ATOM 152 CG . TYR A 20 ? -22.39669 -11.78037 -5.19689 1.000 23.86325 C ? A ? 20 CG 1
   ATOM 153 CD1 . TYR A 20 ? -21.41139 -12.65400 -4.75071 1.000 26.56499 C ? A ? 20 CD1 1
   ATOM 154 CD2 . TYR A 20 ? -22.81375 -10.75855 -4.34083 1.000 26.66845 C ? A ? 20 CD2 1
   ATOM 155 CE1 . TYR A 20 ? -20.84491 -12.51010 -3.50115 1.000 28.69687 C ? A ? 20 CE1 1
   ATOM 156 CE2 . TYR A 20 ? -22.26127 -10.61774 -3.08678 1.000 28.67223 C ? A ? 20 CE2 1
   ATOM 157 CZ . TYR A 20 ? -21.28092 -11.50126 -2.67016 1.000 28.91855 C ? A ? 20 CZ 1
   ATOM 158 OH . TYR A 20 ? -20.72735 -11.36501 -1.42955 1.000 33.84174 O ? A ? 20 OH 1
   ATOM 159 N . ARG A 21 ? -25.77558 -12.78654 -4.62688 1.000 26.10733 N ? A ? 21 N 1
   ATOM 160 CA . ARG A 21 ? -26.94425 -12.38005 -3.83946 1.000 26.72520 C ? A ? 21 CA 1
   ATOM 161 C . ARG A 21 ? -28.22457 -12.39402 -4.66455 1.000 21.99286 C ? A ? 21 C 1
   ATOM 162 O . ARG A 21 ? -29.15671 -11.61957 -4.41292 1.000 26.49550 O ? A ? 21 O 1
   ATOM 163 CB . ARG A 21 ? -26.74356 -11.02102 -3.16761 1.000 28.77547 C ? A ? 21 CB 1
   ATOM 164 CG . ARG A 21 ? -25.76211 -11.00406 -2.01206 1.000 38.66110 C ? A ? 21 CG 1
   ATOM 165 CD . ARG A 21 ? -26.30912 -11.78584 -0.83608 1.000 51.69684 C ? A ? 21 CD 1
   ATOM 166 NE . ARG A 21 ? -25.61195 -11.47493 0.40464 1.000 57.66724 N ? A ? 21 NE 1
   ATOM 167 CZ . ARG A 21 ? -24.44164 -11.99165 0.75813 1.000 59.37031 C ? A ? 21 CZ 1
   ATOM 168 NH1 . ARG A 21 ? -23.79237 -12.83816 -0.02690 1.000 60.28562 N ? A ? 21 NH1 1
   ATOM 169 NH2 . ARG A 21 ? -23.90552 -11.64602 1.92677 1.000 62.61436 N ? A ? 21 NH2 1
   ATOM 170 N . GLY A 22 ? -28.28191 -13.24077 -5.68310 1.000 22.54196 N ? A ? 22 N 1
   ATOM 171 CA . GLY A 22 ? -29.50465 -13.33710 -6.45397 1.000 23.72161 C ? A ? 22 CA 1
   ATOM 172 C . GLY A 22 ? -29.62815 -12.38139 -7.62059 1.000 18.11716 C ? A ? 22 C 1
   ATOM 173 O . GLY A 22 ? -30.64838 -12.40253 -8.31222 1.000 23.66372 O ? A ? 22 O 1
   ATOM 174 N . TYR A 23 ? -28.59366 -11.57690 -7.89714 1.000 20.42779 N ? A ? 23 N 1
   ATOM 175 CA . TYR A 23 ? -28.61541 -10.61514 -9.00416 1.000 20.91095 C ? A ? 23 CA 1
   ATOM 176 C . TYR A 23 ? -27.87954 -11.21068 -10.19375 1.000 19.17430 C ? A ? 23 C 1
   ATOM 177 O . TYR A 23 ? -26.65367 -11.35238 -10.15484 1.000 22.05286 O ? A ? 23 O 1
   ATOM 178 CB . TYR A 23 ? -27.98675 -9.28457 -8.59094 1.000 18.43279 C ? A ? 23 CB 1
   ATOM 179 CG . TYR A 23 ? -28.83009 -8.55137 -7.57665 1.000 14.68587 C ? A ? 23 CG 1
   ATOM 180 CD1 . TYR A 23 ? -29.87549 -7.74311 -7.98702 1.000 16.22009 C ? A ? 23 CD1 1
   ATOM 181 CD2 . TYR A 23 ? -28.62900 -8.72123 -6.20796 1.000 17.27829 C ? A ? 23 CD2 1
   ATOM 182 CE1 . TYR A 23 ? -30.67347 -7.09484 -7.07309 1.000 18.68375 C ? A ? 23 CE1 1
   ATOM 183 CE2 . TYR A 23 ? -29.43708 -8.07044 -5.27197 1.000 17.56526 C ? A ? 23 CE2 1
   ATOM 184 CZ . TYR A 23 ? -30.45221 -7.24639 -5.71753 1.000 20.00547 C ? A ? 23 CZ 1
   ATOM 185 OH . TYR A 23 ? -31.28157 -6.60090 -4.80302 1.000 19.45266 O ? A ? 23 OH 1
   ATOM 186 N . SER A 24 ? -28.62378 -11.50936 -11.25934 1.000 21.52429 N ? A ? 24 N 1
   ATOM 187 CA . SER A 24 ? -28.03131 -12.03655 -12.47660 1.000 21.91133 C ? A ? 24 CA 1
   ATOM 188 C . SER A 24 ? -27.10745 -11.00329 -13.10747 1.000 24.52754 C ? A ? 24 C 1
   ATOM 189 O . SER A 24 ? -27.17852 -9.79639 -12.82370 1.000 21.68049 O ? A ? 24 O 1
   ATOM 190 CB . SER A 24 ? -29.11149 -12.42291 -13.48799 1.000 22.90713 C ? A ? 24 CB 1
   ATOM 191 OG . SER A 24 ? -29.83399 -11.28707 -13.92661 1.000 30.03008 O ? A ? 24 OG 1
   ATOM 192 N . LEU A 25 ? -26.23140 -11.51029 -13.98284 1.000 20.69191 N ? A ? 25 N 1
   ATOM 193 CA . LEU A 25 ? -25.13027 -10.71062 -14.51081 1.000 19.90510 C ? A ? 25 CA 1
   ATOM 194 C . LEU A 25 ? -25.62680 -9.44323 -15.19990 1.000 20.87408 C ? A ? 25 C 1
   ATOM 195 O . LEU A 25 ? -24.99088 -8.37528 -15.10841 1.000 19.01505 O ? A ? 25 O 1
   ATOM 196 CB . LEU A 25 ? -24.36664 -11.57734 -15.50836 1.000 26.14227 C ? A ? 25 CB 1
   ATOM 197 CG . LEU A 25 ? -23.02227 -11.06367 -16.00238 1.000 24.30703 C ? A ? 25 CG 1
   ATOM 198 CD1 . LEU A 25 ? -22.13027 -10.78879 -14.82946 1.000 21.46763 C ? A ? 25 CD1 1
   ATOM 199 CD2 . LEU A 25 ? -22.40936 -12.13587 -16.90635 1.000 25.65568 C ? A ? 25 CD2 1
   ATOM 200 N . GLY A 26 ? -26.73010 -9.54208 -15.93240 1.000 20.43965 N ? A ? 26 N 1
   ATOM 201 CA . GLY A 26 ? -27.26976 -8.38846 -16.64659 1.000 19.62364 C ? A ? 26 CA 1
   ATOM 202 C . GLY A 26 ? -27.54265 -7.18702 -15.76361 1.000 19.23651 C ? A ? 26 C 1
   ATOM 203 O . GLY A 26 ? -27.44965 -6.05094 -16.23233 1.000 19.54373 O ? A ? 26 O 1
   ATOM 204 N . ASN A 27 ? -27.88083 -7.41801 -14.48760 1.000 16.32469 N ? A ? 27 N 1
   ATOM 205 CA . ASN A 27 ? -28.10750 -6.30425 -13.55812 1.000 18.25311 C ? A ? 27 CA 1
   ATOM 206 C . ASN A 27 ? -26.83167 -5.48914 -13.35053 1.000 17.01668 C ? A ? 27 C 1
   ATOM 207 O . ASN A 27 ? -26.88047 -4.25201 -13.27625 1.000 17.74417 O ? A ? 27 O 1
   ATOM 208 CB . ASN A 27 ? -28.58188 -6.85673 -12.21071 1.000 17.82523 C ? A ? 27 CB 1
   ATOM 209 CG . ASN A 27 ? -30.04121 -7.29116 -12.24004 1.000 16.76456 C ? A ? 27 CG 1
   ATOM 210 OD1 . ASN A 27 ? -30.94021 -6.46505 -12.28988 1.000 17.58491 O ? A ? 27 OD1 1
   ATOM 211 ND2 . ASN A 27 ? -30.26848 -8.62945 -12.25393 1.000 19.75882 N ? A ? 27 ND2 1
   ATOM 212 N . TRP A 28 ? -25.69962 -6.17159 -13.19710 1.000 17.81081 N ? A ? 28 N 1
   ATOM 213 CA . TRP A 28 ? -24.44175 -5.48164 -12.91611 1.000 17.90787 C ? A ? 28 CA 1
   ATOM 214 C . TRP A 28 ? -23.95833 -4.71297 -14.13194 1.000 19.80144 C ? A ? 28 C 1
   ATOM 215 O . TRP A 28 ? -23.46578 -3.57962 -14.00623 1.000 17.12717 O ? A ? 28 O 1
   ATOM 216 CB . TRP A 28 ? -23.40049 -6.51382 -12.46942 1.000 18.82082 C ? A ? 28 CB 1
   ATOM 217 CG . TRP A 28 ? -23.80672 -7.21903 -11.22856 1.000 15.62547 C ? A ? 28 CG 1
   ATOM 218 CD1 . TRP A 28 ? -24.37006 -8.46016 -11.13320 1.000 16.84609 C ? A ? 28 CD1 1
   ATOM 219 CD2 . TRP A 28 ? -23.69830 -6.71682 -9.89865 1.000 18.62265 C ? A ? 28 CD2 1
   ATOM 220 NE1 . TRP A 28 ? -24.58891 -8.76848 -9.81125 1.000 20.44768 N ? A ? 28 NE1 1
   ATOM 221 CE2 . TRP A 28 ? -24.17366 -7.71442 -9.03582 1.000 21.55891 C ? A ? 28 CE2 1
   ATOM 222 CE3 . TRP A 28 ? -23.17056 -5.52751 -9.34669 1.000 19.51192 C ? A ? 28 CE3 1
   ATOM 223 CZ2 . TRP A 28 ? -24.18795 -7.55558 -7.66133 1.000 23.85071 C ? A ? 28 CZ2 1
   ATOM 224 CZ3 . TRP A 28 ? -23.21019 -5.37040 -7.98025 1.000 21.63290 C ? A ? 28 CZ3 1
   ATOM 225 CH2 . TRP A 28 ? -23.71216 -6.38207 -7.15398 1.000 25.41595 C ? A ? 28 CH2 1
   ATOM 226 N . VAL A 29 ? -24.10214 -5.29912 -15.32011 1.000 16.49900 N ? A ? 29 N 1
   ATOM 227 CA . VAL A 29 ? -23.73669 -4.60817 -16.55489 1.000 15.50718 C ? A ? 29 CA 1
   ATOM 228 C . VAL A 29 ? -24.62690 -3.38187 -16.77695 1.000 19.73104 C ? A ? 29 C 1
   ATOM 229 O . VAL A 29 ? -24.15740 -2.29982 -17.15230 1.000 19.00930 O ? A ? 29 O 1
   ATOM 230 CB . VAL A 29 ? -23.77288 -5.59727 -17.74256 1.000 20.12415 C ? A ? 29 CB 1
   ATOM 231 CG1 . VAL A 29 ? -23.45769 -4.90786 -19.08129 1.000 21.49327 C ? A ? 29 CG1 1
   ATOM 232 CG2 . VAL A 29 ? -22.81510 -6.76797 -17.46406 1.000 18.87155 C ? A ? 29 CG2 1
   ATOM 233 N . CYS A 30 ? -25.93434 -3.53269 -16.56833 1.000 16.46037 N ? A ? 30 N 1
   ATOM 234 CA . CYS A 30 ? -26.84813 -2.39666 -16.67050 1.000 15.49466 C ? A ? 30 CA 1
   ATOM 235 C . CYS A 30 ? -26.47207 -1.27494 -15.69179 1.000 15.29138 C ? A ? 30 C 1
   ATOM 236 O . CYS A 30 ? -26.41940 -0.09603 -16.06221 1.000 19.10814 O ? A ? 30 O 1
   ATOM 237 CB . CYS A 30 ? -28.28780 -2.88933 -16.43156 1.000 17.25831 C ? A ? 30 CB 1
   ATOM 238 SG . CYS A 30 ? -29.54999 -1.65014 -16.70158 1.000 18.40113 S ? A ? 30 SG 1
   ATOM 239 N . ALA A 31 ? -26.20654 -1.63345 -14.43616 1.000 15.13148 N ? A ? 31 N 1
   ATOM 240 CA . ALA A 31 ? -25.81839 -0.60622 -13.46694 1.000 17.41377 C ? A ? 31 CA 1
   ATOM 241 C . ALA A 31 ? -24.54365 0.10471 -13.89630 1.000 18.98595 C ? A ? 31 C 1
   ATOM 242 O . ALA A 31 ? -24.45159 1.33277 -13.80804 1.000 19.94553 O ? A ? 31 O 1
   ATOM 243 CB . ALA A 31 ? -25.67335 -1.19037 -12.06733 1.000 16.54447 C ? A ? 31 CB 1
   ATOM 244 N . ALA A 32 ? -23.53598 -0.64416 -14.35237 1.000 16.46815 N ? A ? 32 N 1
   ATOM 245 CA . ALA A 32 ? -22.28180 -0.01965 -14.76997 1.000 17.49889 C ? A ? 32 CA 1
   ATOM 246 C . ALA A 32 ? -22.49222 0.91331 -15.96530 1.000 20.12019 C ? A ? 32 C 1
   ATOM 247 O . ALA A 32 ? -21.83418 1.96203 -16.08480 1.000 20.24979 O ? A ? 32 O 1
   ATOM 248 CB . ALA A 32 ? -21.22942 -1.09148 -15.07413 1.000 16.27682 C ? A ? 32 CB 1
   ATOM 249 N . LYS A 33 ? -23.37180 0.54430 -16.88469 1.000 17.05321 N ? A ? 33 N 1
   ATOM 250 CA . LYS A 33 ? -23.60839 1.39205 -18.04320 1.000 14.86419 C ? A ? 33 CA 1
   ATOM 251 C . LYS A 33 ? -24.15522 2.75683 -17.63247 1.000 17.48573 C ? A ? 33 C 1
   ATOM 252 O . LYS A 33 ? -23.67798 3.79677 -18.09261 1.000 20.50758 O ? A ? 33 O 1
   ATOM 253 CB . LYS A 33 ? -24.56934 0.67736 -18.99518 1.000 16.67592 C ? A ? 33 CB 1
   ATOM 254 CG . LYS A 33 ? -25.15843 1.61109 -20.03182 1.000 26.56725 C ? A ? 33 CG 1
   ATOM 255 CD . LYS A 33 ? -24.19891 1.99584 -21.14199 1.000 27.31703 C ? A ? 33 CD 1
   ATOM 256 CE . LYS A 33 ? -24.89171 3.02142 -22.04858 1.000 36.66724 C ? A ? 33 CE 1
   ATOM 257 NZ . LYS A 33 ? -24.09854 3.34494 -23.25591 1.000 46.77260 N ? A ? 33 NZ 1
   ATOM 258 N . PHE A 34 ? -25.16678 2.77996 -16.76994 1.000 18.61846 N ? A ? 34 N 1
   ATOM 259 CA . PHE A 34 ? -25.79142 4.04660 -16.44632 1.000 16.38375 C ? A ? 34 CA 1
   ATOM 260 C . PHE A 34 ? -25.07447 4.79414 -15.32573 1.000 20.58238 C ? A ? 34 C 1
   ATOM 261 O . PHE A 34 ? -25.20370 6.02115 -15.23693 1.000 23.69412 O ? A ? 34 O 1
   ATOM 262 CB . PHE A 34 ? -27.27364 3.81832 -16.15684 1.000 18.69439 C ? A ? 34 CB 1
   ATOM 263 CG . PHE A 34 ? -28.04800 3.37350 -17.36313 1.000 17.58621 C ? A ? 34 CG 1
   ATOM 264 CD1 . PHE A 34 ? -27.99813 4.08403 -18.54929 1.000 19.62424 C ? A ? 34 CD1 1
   ATOM 265 CD2 . PHE A 34 ? -28.80258 2.20026 -17.31355 1.000 21.34440 C ? A ? 34 CD2 1
   ATOM 266 CE1 . PHE A 34 ? -28.71375 3.66032 -19.65848 1.000 21.53754 C ? A ? 34 CE1 1
   ATOM 267 CE2 . PHE A 34 ? -29.51604 1.77940 -18.42346 1.000 29.16014 C ? A ? 34 CE2 1
   ATOM 268 CZ . PHE A 34 ? -29.47583 2.51705 -19.58399 1.000 19.22513 C ? A ? 34 CZ 1
   ATOM 269 N . GLU A 35 ? -24.30270 4.10227 -14.49500 1.000 17.78235 N ? A ? 35 N 1
   ATOM 270 CA . GLU A 35 ? -23.49779 4.79678 -13.48322 1.000 17.67024 C ? A ? 35 CA 1
   ATOM 271 C . GLU A 35 ? -22.28191 5.48777 -14.09220 1.000 20.07010 C ? A ? 35 C 1
   ATOM 272 O . GLU A 35 ? -21.95637 6.62073 -13.72257 1.000 20.43642 O ? A ? 35 O 1
   ATOM 273 CB . GLU A 35 ? -23.03715 3.80294 -12.41877 1.000 18.44463 C ? A ? 35 CB 1
   ATOM 274 CG . GLU A 35 ? -24.13565 3.30501 -11.50204 1.000 24.07007 C ? A ? 35 CG 1
   ATOM 275 CD . GLU A 35 ? -24.70117 4.36732 -10.56810 1.000 23.76719 C ? A ? 35 CD 1
   ATOM 276 OE1 . GLU A 35 ? -24.15512 5.50401 -10.49782 1.000 22.26697 O ? A ? 35 OE1 1
   ATOM 277 OE2 . GLU A 35 ? -25.70124 4.05962 -9.89254 1.000 24.12571 O ? A ? 35 OE2 1
   ATOM 278 N . SER A 36 ? -21.55378 4.80463 -14.96964 1.000 17.91112 N ? A ? 36 N 1
   ATOM 279 CA . SER A 36 ? -20.23814 5.30470 -15.38234 1.000 15.09229 C ? A ? 36 CA 1
   ATOM 280 C . SER A 36 ? -20.02850 5.30606 -16.88516 1.000 21.34110 C ? A ? 36 C 1
   ATOM 281 O . SER A 36 ? -18.94627 5.70195 -17.33767 1.000 22.96520 O ? A ? 36 O 1
   ATOM 282 CB . SER A 36 ? -19.12947 4.42983 -14.77868 1.000 20.63351 C ? A ? 36 CB 1
   ATOM 283 OG . SER A 36 ? -19.19936 3.12414 -15.33706 1.000 18.75061 O ? A ? 36 OG 1
   ATOM 284 N . ASN A 37 ? -21.01279 4.84828 -17.67348 1.000 20.20300 N ? A ? 37 N 1
   ATOM 285 CA . ASN A 37 ? -20.80877 4.62267 -19.10747 1.000 25.08934 C ? A ? 37 CA 1
   ATOM 286 C . ASN A 37 ? -19.64551 3.66210 -19.38416 1.000 19.56622 C ? A ? 37 C 1
   ATOM 287 O . ASN A 37 ? -18.93408 3.81554 -20.39213 1.000 21.93753 O ? A ? 37 O 1
   ATOM 288 CB . ASN A 37 ? -20.64263 5.94846 -19.87271 1.000 25.37018 C ? A ? 37 CB 1
   ATOM 289 CG . ASN A 37 ? -21.06206 5.83607 -21.31680 1.000 44.09534 C ? A ? 37 CG 1
   ATOM 290 OD1 . ASN A 37 ? -21.95946 5.06212 -21.65619 1.000 39.12204 O ? A ? 37 OD1 1
   ATOM 291 ND2 . ASN A 37 ? -20.41060 6.60591 -22.18506 1.000 40.05651 N ? A ? 37 ND2 1
   ATOM 292 N . PHE A 38 ? -19.40442 2.69551 -18.48022 1.000 19.39644 N ? A ? 38 N 1
   ATOM 293 CA . PHE A 38 ? -18.36813 1.66174 -18.59401 1.000 22.01984 C ? A ? 38 CA 1
   ATOM 294 C . PHE A 38 ? -16.94368 2.21258 -18.44729 1.000 19.47789 C ? A ? 38 C 1
   ATOM 295 O . PHE A 38 ? -15.97738 1.55243 -18.84683 1.000 21.47642 O ? A ? 38 O 1
   ATOM 296 CB . PHE A 38 ? -18.44823 0.85043 -19.89653 1.000 18.47895 C ? A ? 38 CB 1
   ATOM 297 CG . PHE A 38 ? -19.74706 0.06333 -20.08190 1.000 17.92283 C ? A ? 38 CG 1
   ATOM 298 CD1 . PHE A 38 ? -20.37711 -0.53432 -19.01487 1.000 18.53315 C ? A ? 38 CD1 1
   ATOM 299 CD2 . PHE A 38 ? -20.28454 -0.08485 -21.34947 1.000 27.56662 C ? A ? 38 CD2 1
   ATOM 300 CE1 . PHE A 38 ? -21.54279 -1.29007 -19.21658 1.000 23.04002 C ? A ? 38 CE1 1
   ATOM 301 CE2 . PHE A 38 ? -21.45233 -0.82916 -21.56294 1.000 27.23974 C ? A ? 38 CE2 1
   ATOM 302 CZ . PHE A 38 ? -22.07012 -1.42409 -20.49206 1.000 23.36011 C ? A ? 38 CZ 1
   ATOM 303 N A ASN A 39 ? -16.79350 3.39160 -17.84916 0.495 20.98261 N ? A ? 39 N 1
   ATOM 304 CA A ASN A 39 ? -15.51417 4.08456 -17.76120 0.495 18.62175 C ? A ? 39 CA 1
   ATOM 305 C A ASN A 39 ? -14.98273 3.94653 -16.33980 0.495 18.93504 C ? A ? 39 C 1
   ATOM 306 O A ASN A 39 ? -15.58453 4.47456 -15.39934 0.495 18.87584 O ? A ? 39 O 1
   ATOM 307 CB A ASN A 39 ? -15.73549 5.56060 -18.10895 0.495 17.01975 C ? A ? 39 CB 1
   ATOM 308 CG A ASN A 39 ? -14.44359 6.36826 -18.16828 0.495 17.81390 C ? A ? 39 CG 1
   ATOM 309 OD1 A ASN A 39 ? -13.38855 5.90304 -17.75402 0.495 19.13328 O ? A ? 39 OD1 1
   ATOM 310 ND2 A ASN A 39 ? -14.53693 7.59819 -18.68404 0.495 21.97364 N ? A ? 39 ND2 1
   ATOM 311 N B ASN A 39 ? -16.79571 3.39900 -17.86474 0.505 20.98903 N ? A ? 39 N 1
   ATOM 312 CA B ASN A 39 ? -15.50807 4.07126 -17.76106 0.505 18.59222 C ? A ? 39 CA 1
   ATOM 313 C B ASN A 39 ? -14.98803 3.93071 -16.33849 0.505 18.93020 C ? A ? 39 C 1
   ATOM 314 O B ASN A 39 ? -15.60033 4.44720 -15.39849 0.505 18.88632 O ? A ? 39 O 1
   ATOM 315 CB B ASN A 39 ? -15.67110 5.55056 -18.11513 0.505 17.02849 C ? A ? 39 CB 1
   ATOM 316 CG B ASN A 39 ? -14.38393 6.34125 -17.94648 0.505 17.34694 C ? A ? 39 CG 1
   ATOM 317 OD1 B ASN A 39 ? -13.29730 5.77251 -17.98182 0.505 19.29557 O ? A ? 39 OD1 1
   ATOM 318 ND2 B ASN A 39 ? -14.50452 7.66224 -17.78187 0.505 23.07596 N ? A ? 39 ND2 1
   ATOM 319 N . THR A 40 ? -13.84485 3.25522 -16.18459 1.000 18.88556 N ? A ? 40 N 1
   ATOM 320 CA . THR A 40 ? -13.28863 3.05156 -14.84733 1.000 20.44351 C ? A ? 40 CA 1
   ATOM 321 C . THR A 40 ? -12.80950 4.35965 -14.20513 1.000 16.09160 C ? A ? 40 C 1
   ATOM 322 O . THR A 40 ? -12.67016 4.40684 -12.98063 1.000 18.57710 O ? A ? 40 O 1
   ATOM 323 CB . THR A 40 ? -12.11514 2.08240 -14.85710 1.000 21.02572 C ? A ? 40 CB 1
   ATOM 324 OG1 . THR A 40 ? -11.04775 2.63970 -15.63605 1.000 23.73170 O ? A ? 40 OG1 1
   ATOM 325 CG2 . THR A 40 ? -12.50058 0.68934 -15.40936 1.000 21.47755 C ? A ? 40 CG2 1
   ATOM 326 N . GLN A 41 ? -12.58250 5.40884 -14.98801 1.000 17.94599 N ? A ? 41 N 1
   ATOM 327 CA . GLN A 41 ? -12.05748 6.67010 -14.45640 1.000 16.83231 C ? A ? 41 CA 1
   ATOM 328 C . GLN A 41 ? -13.14600 7.67737 -14.08829 1.000 18.68683 C ? A ? 41 C 1
   ATOM 329 O . GLN A 41 ? -12.82664 8.81867 -13.71643 1.000 20.86412 O ? A ? 41 O 1
   ATOM 330 CB . GLN A 41 ? -11.10553 7.30604 -15.46654 1.000 20.02176 C ? A ? 41 CB 1
   ATOM 331 CG . GLN A 41 ? -9.93212 6.43015 -15.83044 1.000 20.44851 C ? A ? 41 CG 1
   ATOM 332 CD . GLN A 41 ? -8.81183 7.24432 -16.44840 1.000 23.38313 C ? A ? 41 CD 1
   ATOM 333 OE1 . GLN A 41 ? -8.21949 8.09837 -15.78394 1.000 29.53381 O ? A ? 41 OE1 1
   ATOM 334 NE2 . GLN A 41 ? -8.53937 7.01564 -17.72248 1.000 23.09238 N ? A ? 41 NE2 1
   ATOM 335 N . ALA A 42 ? -14.42201 7.30975 -14.17291 1.000 17.08206 N ? A ? 42 N 1
   ATOM 336 CA . ALA A 42 ? -15.50129 8.24734 -13.90930 1.000 19.20323 C ? A ? 42 CA 1
   ATOM 337 C . ALA A 42 ? -15.50172 8.68313 -12.44613 1.000 17.88365 C ? A ? 42 C 1
   ATOM 338 O . ALA A 42 ? -15.35401 7.85938 -11.53095 1.000 18.30690 O ? A ? 42 O 1
   ATOM 339 CB . ALA A 42 ? -16.84127 7.57055 -14.22970 1.000 21.34603 C ? A ? 42 CB 1
   ATOM 340 N . THR A 43 ? -15.69428 9.98703 -12.22790 1.000 18.73178 N ? A ? 43 N 1
   ATOM 341 CA . THR A 43 ? -15.85967 10.54467 -10.88893 1.000 19.66658 C ? A ? 43 CA 1
   ATOM 342 C . THR A 43 ? -16.98685 11.57094 -10.91991 1.000 21.43956 C ? A ? 43 C 1
   ATOM 343 O . THR A 43 ? -17.18498 12.27901 -11.91433 1.000 23.64018 O ? A ? 43 O 1
   ATOM 344 CB . THR A 43 ? -14.59445 11.26767 -10.34894 1.000 17.11618 C ? A ? 43 CB 1
   ATOM 345 OG1 . THR A 43 ? -14.21293 12.33227 -11.23805 1.000 19.74933 O ? A ? 43 OG1 1
   ATOM 346 CG2 . THR A 43 ? -13.42328 10.32937 -10.15900 1.000 17.68991 C ? A ? 43 CG2 1
   ATOM 347 N . ASN A 44 ? -17.71158 11.67503 -9.81056 1.000 18.35757 N ? A ? 44 N 1
   ATOM 348 CA . ASN A 44 ? -18.81486 12.63857 -9.73528 1.000 21.00507 C ? A ? 44 CA 1
   ATOM 349 C . ASN A 44 ? -18.94040 13.11041 -8.30440 1.000 18.32247 C ? A ? 44 C 1
   ATOM 350 O . ASN A 44 ? -18.91579 12.29082 -7.38812 1.000 20.53172 O ? A ? 44 O 1
   ATOM 351 CB . ASN A 44 ? -20.12287 11.98444 -10.19137 1.000 19.27344 C ? A ? 44 CB 1
   ATOM 352 CG . ASN A 44 ? -20.21186 11.91213 -11.69798 1.000 28.38196 C ? A ? 44 CG 1
   ATOM 353 OD1 . ASN A 44 ? -20.33592 12.93985 -12.37267 1.000 35.13560 O ? A ? 44 OD1 1
   ATOM 354 ND2 . ASN A 44 ? -20.10315 10.70433 -12.24049 1.000 31.37598 N ? A ? 44 ND2 1
   ATOM 355 N A ARG A 45 ? -19.05177 14.42692 -8.12757 0.515 25.31120 N ? A ? 45 N 1
   ATOM 356 CA A ARG A 45 ? -19.21920 15.00630 -6.80957 0.515 21.26793 C ? A ? 45 CA 1
   ATOM 357 C A ARG A 45 ? -20.67238 14.88566 -6.37736 0.515 23.55597 C ? A ? 45 C 1
   ATOM 358 O A ARG A 45 ? -21.60064 14.99285 -7.18595 0.515 25.18786 O ? A ? 45 O 1
   ATOM 359 CB A ARG A 45 ? -18.85025 16.48915 -6.83721 0.515 28.25896 C ? A ? 45 CB 1
   ATOM 360 CG A ARG A 45 ? -18.94544 17.17223 -5.48711 0.515 30.13184 C ? A ? 45 CG 1
   ATOM 361 CD A ARG A 45 ? -17.77036 16.80840 -4.59615 0.515 29.14936 C ? A ? 45 CD 1
   ATOM 362 NE A ARG A 45 ? -16.63120 17.68202 -4.84411 0.515 43.28134 N ? A ? 45 NE 1
   ATOM 363 CZ A ARG A 45 ? -15.72996 17.48039 -5.79688 0.515 37.82969 C ? A ? 45 CZ 1
   ATOM 364 NH1 A ARG A 45 ? -15.81232 16.44572 -6.61946 0.515 39.20542 N ? A ? 45 NH1 1
   ATOM 365 NH2 A ARG A 45 ? -14.70041 18.31392 -5.90447 0.515 26.39950 N ? A ? 45 NH2 1
   ATOM 366 N B ARG A 45 ? -19.08900 14.41945 -8.10109 0.485 25.32941 N ? A ? 45 N 1
   ATOM 367 CA B ARG A 45 ? -19.12082 14.98405 -6.75870 0.485 21.19336 C ? A ? 45 CA 1
   ATOM 368 C B ARG A 45 ? -20.56697 15.14440 -6.30264 0.485 24.34359 C ? A ? 45 C 1
   ATOM 369 O B ARG A 45 ? -21.38586 15.71024 -7.03400 0.485 29.42171 O ? A ? 45 O 1
   ATOM 370 CB B ARG A 45 ? -18.42405 16.34061 -6.74450 0.485 28.18694 C ? A ? 45 CB 1
   ATOM 371 CG B ARG A 45 ? -18.13883 16.82419 -5.35683 0.485 29.23568 C ? A ? 45 CG 1
   ATOM 372 CD B ARG A 45 ? -16.69461 16.59634 -5.01755 0.485 24.90930 C ? A ? 45 CD 1
   ATOM 373 NE B ARG A 45 ? -15.98967 17.87183 -4.98897 0.485 44.64009 N ? A ? 45 NE 1
   ATOM 374 CZ B ARG A 45 ? -15.69565 18.52403 -3.87455 0.485 33.56711 C ? A ? 45 CZ 1
   ATOM 375 NH1 B ARG A 45 ? -15.96479 18.00934 -2.68375 0.485 31.24279 N ? A ? 45 NH1 1
   ATOM 376 NH2 B ARG A 45 ? -15.11790 19.71829 -3.95523 0.485 43.78382 N ? A ? 45 NH2 1
   ATOM 377 N . ASN A 46 ? -20.86959 14.67659 -5.08763 1.000 20.12157 N ? A ? 46 N 1
   ATOM 378 CA . ASN A 46 ? -22.20986 14.76585 -4.51619 1.000 26.16437 C ? A ? 46 CA 1
   ATOM 379 C . ASN A 46 ? -22.37970 16.07629 -3.75186 1.000 23.89893 C ? A ? 46 C 1
   ATOM 380 O . ASN A 46 ? -21.41064 16.75935 -3.42106 1.000 31.11076 O ? A ? 46 O 1
   ATOM 381 CB . ASN A 46 ? -22.47113 13.59152 -3.57227 1.000 26.19271 C ? A ? 46 CB 1
   ATOM 382 CG . ASN A 46 ? -22.34868 12.25501 -4.27042 1.000 25.65234 C ? A ? 46 CG 1
   ATOM 383 OD1 . ASN A 46 ? -22.82447 12.09745 -5.37978 1.000 29.13021 O ? A ? 46 OD1 1
   ATOM 384 ND2 . ASN A 46 ? -21.67446 11.30610 -3.63966 1.000 24.57502 N ? A ? 46 ND2 1
   ATOM 385 N A THR A 47 ? -23.64164 16.40751 -3.45989 0.525 33.24320 N ? A ? 47 N 1
   ATOM 386 CA A THR A 47 ? -23.94583 17.68652 -2.81808 0.525 37.58308 C ? A ? 47 CA 1
   ATOM 387 C A THR A 47 ? -23.30326 17.78734 -1.44067 0.525 33.30390 C ? A ? 47 C 1
   ATOM 388 O A THR A 47 ? -22.84006 18.86365 -1.03944 0.525 36.93528 O ? A ? 47 O 1
   ATOM 389 CB A THR A 47 ? -25.46303 17.87771 -2.71689 0.525 37.07428 C ? A ? 47 CB 1
   ATOM 390 OG1 A THR A 47 ? -26.05311 17.74173 -4.01622 0.525 40.52774 O ? A ? 47 OG1 1
   ATOM 391 CG2 A THR A 47 ? -25.79439 19.25885 -2.15866 0.525 37.78795 C ? A ? 47 CG2 1
   ATOM 392 N B THR A 47 ? -23.64124 16.40618 -3.45314 0.475 33.23611 N ? A ? 47 N 1
   ATOM 393 CA B THR A 47 ? -23.94086 17.69173 -2.82268 0.475 37.55042 C ? A ? 47 CA 1
   ATOM 394 C B THR A 47 ? -23.35666 17.79422 -1.42063 0.475 33.27918 C ? A ? 47 C 1
   ATOM 395 O B THR A 47 ? -22.98866 18.89151 -0.98323 0.475 36.91616 O ? A ? 47 O 1
   ATOM 396 CB B THR A 47 ? -25.45341 17.94929 -2.80081 0.475 37.14256 C ? A ? 47 CB 1
   ATOM 397 OG1 B THR A 47 ? -26.12918 16.87034 -2.13901 0.475 36.10941 O ? A ? 47 OG1 1
   ATOM 398 CG2 B THR A 47 ? -25.98720 18.09507 -4.21858 0.475 40.00733 C ? A ? 47 CG2 1
   ATOM 399 N . ASP A 48 ? -23.25220 16.67566 -0.70525 1.000 30.52897 N ? A ? 48 N 1
   ATOM 400 CA . ASP A 48 ? -22.70875 16.68852 0.64675 1.000 27.32712 C ? A ? 48 CA 1
   ATOM 401 C . ASP A 48 ? -21.18413 16.78889 0.69379 1.000 29.00116 C ? A ? 48 C 1
   ATOM 402 O . ASP A 48 ? -20.61800 16.84195 1.79297 1.000 31.61179 O ? A ? 48 O 1
   ATOM 403 CB . ASP A 48 ? -23.21629 15.48978 1.45926 1.000 27.60471 C ? A ? 48 CB 1
   ATOM 404 CG . ASP A 48 ? -22.73686 14.14658 0.90451 1.000 29.25168 C ? A ? 48 CG 1
   ATOM 405 OD1 . ASP A 48 ? -22.07011 14.12820 -0.14621 1.000 34.77541 O ? A ? 48 OD1 1
   ATOM 406 OD2 . ASP A 48 ? -23.02769 13.10614 1.52382 1.000 39.89455 O ? A ? 48 OD2 1
   ATOM 407 N . GLY A 49 ? -20.49856 16.82537 -0.45560 1.000 30.22827 N ? A ? 49 N 1
   ATOM 408 CA . GLY A 49 ? -19.05621 16.86715 -0.48661 1.000 20.71343 C ? A ? 49 CA 1
   ATOM 409 C . GLY A 49 ? -18.38190 15.53242 -0.75641 1.000 24.83214 C ? A ? 49 C 1
   ATOM 410 O . GLY A 49 ? -17.18948 15.52107 -1.09018 1.000 29.79614 O ? A ? 49 O 1
   ATOM 411 N . SER A 50 ? -19.10679 14.41870 -0.63111 1.000 23.31232 N ? A ? 50 N 1
   ATOM 412 CA . SER A 50 ? -18.53057 13.12720 -0.98929 1.000 18.55760 C ? A ? 50 CA 1
   ATOM 413 C . SER A 50 ? -18.42613 13.01608 -2.51015 1.000 19.36884 C ? A ? 50 C 1
   ATOM 414 O . SER A 50 ? -18.97845 13.82495 -3.25994 1.000 21.03713 O ? A ? 50 O 1
   ATOM 415 CB . SER A 50 ? -19.39755 11.99694 -0.43019 1.000 19.41549 C ? A ? 50 CB 1
   ATOM 416 OG . SER A 50 ? -20.70857 12.02147 -0.98932 1.000 25.48829 O ? A ? 50 OG 1
   ATOM 417 N . THR A 51 ? -17.69989 11.99631 -2.96928 1.000 18.12053 N ? A ? 51 N 1
   ATOM 418 CA . THR A 51 ? -17.46727 11.77227 -4.39135 1.000 17.63617 C ? A ? 51 CA 1
   ATOM 419 C . THR A 51 ? -17.72274 10.30191 -4.69411 1.000 15.66534 C ? A ? 51 C 1
   ATOM 420 O . THR A 51 ? -17.43622 9.43080 -3.86369 1.000 16.83412 O ? A ? 51 O 1
   ATOM 421 CB . THR A 51 ? -16.00706 12.14214 -4.74741 1.000 16.72676 C ? A ? 51 CB 1
   ATOM 422 OG1 . THR A 51 ? -15.75184 13.51940 -4.38430 1.000 18.28728 O ? A ? 51 OG1 1
   ATOM 423 CG2 . THR A 51 ? -15.71295 11.95424 -6.22854 1.000 17.13611 C ? A ? 51 CG2 1
   ATOM 424 N . ASP A 52 ? -18.25257 10.03336 -5.89522 1.000 16.80658 N ? A ? 52 N 1
   ATOM 425 CA . ASP A 52 ? -18.48034 8.66868 -6.37256 1.000 16.66510 C ? A ? 52 CA 1
   ATOM 426 C . ASP A 52 ? -17.37166 8.30414 -7.35381 1.000 16.32061 C ? A ? 52 C 1
   ATOM 427 O . ASP A 52 ? -16.97167 9.12449 -8.18306 1.000 18.89761 O ? A ? 52 O 1
   ATOM 428 CB . ASP A 52 ? -19.81193 8.56196 -7.12163 1.000 16.32089 C ? A ? 52 CB 1
   ATOM 429 CG . ASP A 52 ? -20.99302 8.81555 -6.23816 1.000 24.99694 C ? A ? 52 CG 1
   ATOM 430 OD1 . ASP A 52 ? -20.86144 8.71528 -5.01218 1.000 24.02124 O ? A ? 52 OD1 1
   ATOM 431 OD2 . ASP A 52 ? -22.08757 9.06499 -6.77658 1.000 42.96161 O ? A ? 52 OD2 1
   ATOM 432 N . TYR A 53 ? -16.87754 7.06524 -7.26951 1.000 16.55801 N ? A ? 53 N 1
   ATOM 433 CA . TYR A 53 ? -15.65481 6.67495 -7.96733 1.000 16.83358 C ? A ? 53 CA 1
   ATOM 434 C . TYR A 53 ? -15.86166 5.40004 -8.77929 1.000 19.31304 C ? A ? 53 C 1
   ATOM 435 O . TYR A 53 ? -16.32594 4.38844 -8.24722 1.000 18.72267 O ? A ? 53 O 1
   ATOM 436 CB . TYR A 53 ? -14.53178 6.36729 -6.96773 1.000 20.63445 C ? A ? 53 CB 1
   ATOM 437 CG . TYR A 53 ? -14.02556 7.59832 -6.27981 1.000 16.77688 C ? A ? 53 CG 1
   ATOM 438 CD1 . TYR A 53 ? -14.60468 8.01662 -5.10292 1.000 18.39502 C ? A ? 53 CD1 1
   ATOM 439 CD2 . TYR A 53 ? -12.98231 8.35034 -6.81995 1.000 16.24512 C ? A ? 53 CD2 1
   ATOM 440 CE1 . TYR A 53 ? -14.16860 9.17803 -4.46065 1.000 17.44987 C ? A ? 53 CE1 1
   ATOM 441 CE2 . TYR A 53 ? -12.56361 9.51313 -6.19391 1.000 19.06998 C ? A ? 53 CE2 1
   ATOM 442 CZ . TYR A 53 ? -13.14329 9.89730 -5.01206 1.000 17.30726 C ? A ? 53 CZ 1
   ATOM 443 OH . TYR A 53 ? -12.76334 11.05344 -4.34107 1.000 20.92775 O ? A ? 53 OH 1
   ATOM 444 N . GLY A 54 ? -15.43208 5.43186 -10.03220 1.000 18.59581 N ? A ? 54 N 1
   ATOM 445 CA . GLY A 54 ? -15.20731 4.21388 -10.77753 1.000 17.68321 C ? A ? 54 CA 1
   ATOM 446 C . GLY A 54 ? -16.42904 3.71026 -11.51688 1.000 16.37250 C ? A ? 54 C 1
   ATOM 447 O . GLY A 54 ? -17.46616 4.37606 -11.68779 1.000 17.85373 O ? A ? 54 O 1
   ATOM 448 N . ILE A 55 ? -16.25342 2.48804 -12.01585 1.000 19.48909 N ? A ? 55 N 1
   ATOM 449 CA . ILE A 55 ? -17.21388 1.89609 -12.93526 1.000 20.37332 C ? A ? 55 CA 1
   ATOM 450 C . ILE A 55 ? -18.56197 1.69904 -12.25745 1.000 18.52622 C ? A ? 55 C 1
   ATOM 451 O . ILE A 55 ? -19.60815 1.74526 -12.91789 1.000 19.44741 O ? A ? 55 O 1
   ATOM 452 CB . ILE A 55 ? -16.60778 0.60704 -13.53086 1.000 21.70425 C ? A ? 55 CB 1
   ATOM 453 CG1 . ILE A 55 ? -17.35000 0.21103 -14.80364 1.000 26.63258 C ? A ? 55 CG1 1
   ATOM 454 CG2 . ILE A 55 ? -16.48316 -0.46015 -12.47818 1.000 19.17034 C ? A ? 55 CG2 1
   ATOM 455 CD1 . ILE A 55 ? -16.62700 -0.81235 -15.60784 1.000 42.40433 C ? A ? 55 CD1 1
   ATOM 456 N . LEU A 56 ? -18.57217 1.51384 -10.93477 1.000 17.52028 N ? A ? 56 N 1
   ATOM 457 CA . LEU A 56 ? -19.82640 1.39543 -10.20017 1.000 18.00517 C ? A ? 56 CA 1
   ATOM 458 C . LEU A 56 ? -20.09563 2.56897 -9.25557 1.000 21.41389 C ? A ? 56 C 1
   ATOM 459 O . LEU A 56 ? -21.01669 2.50209 -8.43322 1.000 19.71477 O ? A ? 56 O 1
   ATOM 460 CB . LEU A 56 ? -19.89436 0.05079 -9.47011 1.000 19.46478 C ? A ? 56 CB 1
   ATOM 461 CG . LEU A 56 ? -20.13757 -1.19250 -10.36015 1.000 19.68093 C ? A ? 56 CG 1
   ATOM 462 CD1 . LEU A 56 ? -19.80449 -2.47138 -9.59129 1.000 24.01943 C ? A ? 56 CD1 1
   ATOM 463 CD2 . LEU A 56 ? -21.56107 -1.18138 -10.88893 1.000 26.48239 C ? A ? 56 CD2 1
   ATOM 464 N . GLN A 57 ? -19.34212 3.67659 -9.37693 1.000 16.94573 N ? A ? 57 N 1
   ATOM 465 CA . GLN A 57 ? -19.69234 4.94359 -8.71635 1.000 14.84617 C ? A ? 57 CA 1
   ATOM 466 C . GLN A 57 ? -19.87583 4.75568 -7.20970 1.000 15.17011 C ? A ? 57 C 1
   ATOM 467 O . GLN A 57 ? -20.85886 5.21931 -6.60855 1.000 20.03026 O ? A ? 57 O 1
   ATOM 468 CB . GLN A 57 ? -20.87546 5.64817 -9.39106 1.000 17.37551 C ? A ? 57 CB 1
   ATOM 469 CG . GLN A 57 ? -20.49374 6.16747 -10.76298 1.000 18.18521 C ? A ? 57 CG 1
   ATOM 470 CD . GLN A 57 ? -19.53460 7.36000 -10.67449 1.000 17.32287 C ? A ? 57 CD 1
   ATOM 471 OE1 . GLN A 57 ? -19.97282 8.48415 -10.44359 1.000 20.34485 O ? A ? 57 OE1 1
   ATOM 472 NE2 . GLN A 57 ? -18.24779 7.11659 -10.88433 1.000 18.23405 N ? A ? 57 NE2 1
   ATOM 473 N . ILE A 58 ? -18.87913 4.11245 -6.60831 1.000 16.94498 N ? A ? 58 N 1
   ATOM 474 CA . ILE A 58 ? -18.86632 3.82820 -5.18038 1.000 18.23902 C ? A ? 58 CA 1
   ATOM 475 C . ILE A 58 ? -18.52697 5.10892 -4.40720 1.000 18.96017 C ? A ? 58 C 1
   ATOM 476 O . ILE A 58 ? -17.56847 5.82173 -4.73747 1.000 18.83980 O ? A ? 58 O 1
   ATOM 477 CB . ILE A 58 ? -17.90855 2.66160 -4.90239 1.000 21.03594 C ? A ? 58 CB 1
   ATOM 478 CG1 . ILE A 58 ? -18.54949 1.34927 -5.41703 1.000 23.15699 C ? A ? 58 CG1 1
   ATOM 479 CG2 . ILE A 58 ? -17.54294 2.60534 -3.43592 1.000 23.20199 C ? A ? 58 CG2 1
   ATOM 480 CD1 . ILE A 58 ? -17.62004 0.16748 -5.44145 1.000 28.09439 C ? A ? 58 CD1 1
   ATOM 481 N . ASN A 59 ? -19.33371 5.41496 -3.38540 1.000 19.36239 N ? A ? 59 N 1
   ATOM 482 CA . ASN A 59 ? -19.34053 6.71407 -2.70471 1.000 18.08565 C ? A ? 59 CA 1
   ATOM 483 C . ASN A 59 ? -18.32739 6.74798 -1.55446 1.000 19.08912 C ? A ? 59 C 1
   ATOM 484 O . ASN A 59 ? -18.23543 5.80266 -0.76104 1.000 20.77784 O ? A ? 59 O 1
   ATOM 485 CB . ASN A 59 ? -20.77552 6.90069 -2.17085 1.000 18.70936 C ? A ? 59 CB 1
   ATOM 486 CG . ASN A 59 ? -21.08229 8.29011 -1.67231 1.000 26.50808 C ? A ? 59 CG 1
   ATOM 487 OD1 . ASN A 59 ? -20.21259 9.06438 -1.34106 1.000 34.91679 O ? A ? 59 OD1 1
   ATOM 488 ND2 . ASN A 59 ? -22.36919 8.60778 -1.62785 1.000 36.19944 N ? A ? 59 ND2 1
   ATOM 489 N . SER A 60 ? -17.54791 7.84733 -1.47261 1.000 17.93852 N ? A ? 60 N 1
   ATOM 490 CA . SER A 60 ? -16.58046 8.03658 -0.39314 1.000 18.74976 C ? A ? 60 CA 1
   ATOM 491 C . SER A 60 ? -17.24476 8.30360 0.95659 1.000 19.46096 C ? A ? 60 C 1
   ATOM 492 O . SER A 60 ? -16.55720 8.25356 1.98212 1.000 21.08072 O ? A ? 60 O 1
   ATOM 493 CB . SER A 60 ? -15.60751 9.19260 -0.74278 1.000 15.51713 C ? A ? 60 CB 1
   ATOM 494 OG . SER A 60 ? -16.32876 10.42698 -0.77161 1.000 18.39434 O ? A ? 60 OG 1
   ATOM 495 N A ARG A 61 ? -18.54921 8.58977 0.99184 0.515 21.03713 N ? A ? 61 N 1
   ATOM 496 CA A ARG A 61 ? -19.20607 8.79125 2.27982 0.515 22.15971 C ? A ? 61 CA 1
   ATOM 497 C A ARG A 61 ? -19.07943 7.55330 3.15453 0.515 27.43686 C ? A ? 61 C 1
   ATOM 498 O A ARG A 61 ? -18.87767 7.65716 4.36980 0.515 24.04769 O ? A ? 61 O 1
   ATOM 499 CB A ARG A 61 ? -20.67834 9.15775 2.07997 0.515 21.46036 C ? A ? 61 CB 1
   ATOM 500 CG A ARG A 61 ? -21.47495 9.21852 3.37126 0.515 31.43672 C ? A ? 61 CG 1
   ATOM 501 CD A ARG A 61 ? -20.88945 10.21965 4.35324 0.515 37.74585 C ? A ? 61 CD 1
   ATOM 502 NE A ARG A 61 ? -21.67756 10.30249 5.57850 0.515 43.68006 N ? A ? 61 NE 1
   ATOM 503 CZ A ARG A 61 ? -21.50609 9.53538 6.64798 0.515 41.58228 C ? A ? 61 CZ 1
   ATOM 504 NH1 A ARG A 61 ? -20.57774 8.59303 6.68543 0.515 30.01591 N ? A ? 61 NH1 1
   ATOM 505 NH2 A ARG A 61 ? -22.28540 9.72279 7.70984 0.515 39.83548 N ? A ? 61 NH2 1
   ATOM 506 N B ARG A 61 ? -18.55615 8.56400 0.97859 0.485 21.01496 N ? A ? 61 N 1
   ATOM 507 CA B ARG A 61 ? -19.25584 8.79797 2.23866 0.485 22.19138 C ? A ? 61 CA 1
   ATOM 508 C B ARG A 61 ? -19.22120 7.56933 3.13936 0.485 27.42987 C ? A ? 61 C 1
   ATOM 509 O B ARG A 61 ? -19.22654 7.70112 4.36834 0.485 22.44860 O ? A ? 61 O 1
   ATOM 510 CB B ARG A 61 ? -20.69813 9.23316 1.94679 0.485 21.32135 C ? A ? 61 CB 1
   ATOM 511 CG B ARG A 61 ? -21.65579 9.20843 3.12959 0.485 32.36160 C ? A ? 61 CG 1
   ATOM 512 CD B ARG A 61 ? -21.24250 10.14843 4.25061 0.485 37.52061 C ? A ? 61 CD 1
   ATOM 513 NE B ARG A 61 ? -22.40317 10.75332 4.89329 0.485 41.08582 N ? A ? 61 NE 1
   ATOM 514 CZ B ARG A 61 ? -22.50523 11.00022 6.19335 0.485 45.54603 C ? A ? 61 CZ 1
   ATOM 515 NH1 B ARG A 61 ? -21.54681 10.65798 7.04228 0.485 48.90083 N ? A ? 61 NH1 1
   ATOM 516 NH2 B ARG A 61 ? -23.59722 11.60601 6.65446 0.485 42.08710 N ? A ? 61 NH2 1
   ATOM 517 N . TRP A 62 ? -19.16994 6.36983 2.55337 1.000 20.63655 N ? A ? 62 N 1
   ATOM 518 CA . TRP A 62 ? -19.15656 5.13338 3.32826 1.000 22.12115 C ? A ? 62 CA 1
   ATOM 519 C . TRP A 62 ? -18.06027 4.13368 2.99944 1.000 23.85351 C ? A ? 62 C 1
   ATOM 520 O . TRP A 62 ? -17.66509 3.37078 3.88261 1.000 23.16956 O ? A ? 62 O 1
   ATOM 521 CB . TRP A 62 ? -20.49793 4.39165 3.18738 1.000 21.89017 C ? A ? 62 CB 1
   ATOM 522 CG . TRP A 62 ? -21.69699 5.21882 3.53496 1.000 23.66056 C ? A ? 62 CG 1
   ATOM 523 CD1 . TRP A 62 ? -22.55587 5.82188 2.66696 1.000 29.23961 C ? A ? 62 CD1 1
   ATOM 524 CD2 . TRP A 62 ? -22.14123 5.56045 4.84896 1.000 32.20887 C ? A ? 62 CD2 1
   ATOM 525 NE1 . TRP A 62 ? -23.52301 6.50624 3.36287 1.000 36.38102 N ? A ? 62 NE1 1
   ATOM 526 CE2 . TRP A 62 ? -23.28680 6.36348 4.70529 1.000 34.22907 C ? A ? 62 CE2 1
   ATOM 527 CE3 . TRP A 62 ? -21.68477 5.25532 6.13429 1.000 41.24029 C ? A ? 62 CE3 1
   ATOM 528 CZ2 . TRP A 62 ? -23.99282 6.86278 5.80000 1.000 48.03254 C ? A ? 62 CZ2 1
   ATOM 529 CZ3 . TRP A 62 ? -22.38199 5.75508 7.22174 1.000 45.35004 C ? A ? 62 CZ3 1
   ATOM 530 CH2 . TRP A 62 ? -23.52432 6.55142 7.04571 1.000 53.23014 C ? A ? 62 CH2 1
   ATOM 531 N . TRP A 63 ? -17.55499 4.09087 1.76308 1.000 20.55540 N ? A ? 63 N 1
   ATOM 532 CA . TRP A 63 ? -16.91562 2.87138 1.28339 1.000 21.07631 C ? A ? 63 CA 1
   ATOM 533 C . TRP A 63 ? -15.43418 2.98264 0.97703 1.000 22.51143 C ? A ? 63 C 1
   ATOM 534 O . TRP A 63 ? -14.77958 1.95033 0.86434 1.000 21.17248 O ? A ? 63 O 1
   ATOM 535 CB . TRP A 63 ? -17.63464 2.35318 0.02843 1.000 20.56104 C ? A ? 63 CB 1
   ATOM 536 CG . TRP A 63 ? -19.15117 2.20448 0.26843 1.000 17.39612 C ? A ? 63 CG 1
   ATOM 537 CD1 . TRP A 63 ? -20.15801 3.02146 -0.17711 1.000 22.93935 C ? A ? 63 CD1 1
   ATOM 538 CD2 . TRP A 63 ? -19.77840 1.16612 1.02762 1.000 23.46268 C ? A ? 63 CD2 1
   ATOM 539 NE1 . TRP A 63 ? -21.38424 2.54258 0.26818 1.000 26.45677 N ? A ? 63 NE1 1
   ATOM 540 CE2 . TRP A 63 ? -21.16484 1.40796 1.01145 1.000 22.49468 C ? A ? 63 CE2 1
   ATOM 541 CE3 . TRP A 63 ? -19.29410 0.05704 1.72373 1.000 21.78135 C ? A ? 63 CE3 1
   ATOM 542 CZ2 . TRP A 63 ? -22.08642 0.56651 1.67859 1.000 21.67074 C ? A ? 63 CZ2 1
   ATOM 543 CZ3 . TRP A 63 ? -20.21288 -0.77696 2.37876 1.000 27.37169 C ? A ? 63 CZ3 1
   ATOM 544 CH2 . TRP A 63 ? -21.58087 -0.50774 2.34618 1.000 24.04166 C ? A ? 63 CH2 1
   ATOM 545 N . CYS A 64 ? -14.88366 4.18091 0.81374 1.000 17.79455 N ? A ? 64 N 1
   ATOM 546 CA . CYS A 64 ? -13.47183 4.29583 0.48723 1.000 17.93823 C ? A ? 64 CA 1
   ATOM 547 C . CYS A 64 ? -12.97817 5.61664 1.05097 1.000 18.34645 C ? A ? 64 C 1
   ATOM 548 O . CYS A 64 ? -13.76691 6.51150 1.35970 1.000 22.15947 O ? A ? 64 O 1
   ATOM 549 CB . CYS A 64 ? -13.21674 4.22480 -1.03307 1.000 18.67637 C ? A ? 64 CB 1
   ATOM 550 SG . CYS A 64 ? -14.01649 5.49911 -2.02625 1.000 18.89365 S ? A ? 64 SG 1
   ATOM 551 N . ASN A 65 ? -11.66116 5.73300 1.15098 1.000 21.24252 N ? A ? 65 N 1
   ATOM 552 CA . ASN A 65 ? -11.01261 6.91448 1.70441 1.000 24.28237 C ? A ? 65 CA 1
   ATOM 553 C . ASN A 65 ? -10.42760 7.77311 0.58917 1.000 17.58446 C ? A ? 65 C 1
   ATOM 554 O . ASN A 65 ? -9.58673 7.29892 -0.18919 1.000 20.13943 O ? A ? 65 O 1
   ATOM 555 CB . ASN A 65 ? -9.89026 6.49259 2.64041 1.000 21.83206 C ? A ? 65 CB 1
   ATOM 556 CG . ASN A 65 ? -9.13272 7.70132 3.15761 1.000 32.99796 C ? A ? 65 CG 1
   ATOM 557 OD1 . ASN A 65 ? -7.92131 7.83090 2.97832 1.000 47.30335 O ? A ? 65 OD1 1
   ATOM 558 ND2 . ASN A 65 ? -9.87374 8.63222 3.75230 1.000 28.37885 N ? A ? 65 ND2 1
   ATOM 559 N . ASP A 66 ? -10.86826 9.03804 0.51573 1.000 18.30486 N ? A ? 66 N 1
   ATOM 560 CA . ASP A 66 ? -10.28495 9.97854 -0.43218 1.000 19.84833 C ? A ? 66 CA 1
   ATOM 561 C . ASP A 66 ? -9.61517 11.18217 0.22996 1.000 24.39426 C ? A ? 66 C 1
   ATOM 562 O . ASP A 66 ? -9.13231 12.07002 -0.48050 1.000 24.72229 O ? A ? 66 O 1
   ATOM 563 CB . ASP A 66 ? -11.29076 10.40417 -1.52273 1.000 19.58619 C ? A ? 66 CB 1
   ATOM 564 CG . ASP A 66 ? -12.43985 11.24901 -0.99714 1.000 18.45983 C ? A ? 66 CG 1
   ATOM 565 OD1 . ASP A 66 ? -12.49697 11.53431 0.21856 1.000 20.84243 O ? A ? 66 OD1 1
   ATOM 566 OD2 . ASP A 66 ? -13.32756 11.61780 -1.81191 1.000 20.31705 O ? A ? 66 OD2 1
   ATOM 567 N . GLY A 67 ? -9.55579 11.23202 1.55664 1.000 22.36107 N ? A ? 67 N 1
   ATOM 568 CA . GLY A 67 ? -8.86967 12.31465 2.24894 1.000 27.25534 C ? A ? 67 CA 1
   ATOM 569 C . GLY A 67 ? -9.58034 13.65005 2.27051 1.000 27.64528 C ? A ? 67 C 1
   ATOM 570 O . GLY A 67 ? -9.01936 14.62165 2.79459 1.000 30.89697 O ? A ? 67 O 1
   ATOM 571 N . ARG A 68 ? -10.80259 13.73913 1.73690 1.000 19.03142 N ? A ? 68 N 1
   ATOM 572 CA . ARG A 68 ? -11.49806 15.01026 1.67271 1.000 20.85233 C ? A ? 68 CA 1
   ATOM 573 C . ARG A 68 ? -12.99433 14.86699 1.90071 1.000 22.19298 C ? A ? 68 C 1
   ATOM 574 O . ARG A 68 ? -13.76486 15.72514 1.44274 1.000 28.41908 O ? A ? 68 O 1
   ATOM 575 CB . ARG A 68 ? -11.21428 15.65602 0.33011 1.000 28.20753 C ? A ? 68 CB 1
   ATOM 576 CG . ARG A 68 ? -11.84382 14.92563 -0.82956 1.000 25.68451 C ? A ? 68 CG 1
   ATOM 577 CD . ARG A 68 ? -11.74299 15.79715 -2.02153 1.000 34.02362 C ? A ? 68 CD 1
   ATOM 578 NE . ARG A 68 ? -12.80876 15.56237 -2.97467 1.000 28.62491 N ? A ? 68 NE 1
   ATOM 579 CZ . ARG A 68 ? -12.78672 15.98970 -4.22956 1.000 30.38839 C ? A ? 68 CZ 1
   ATOM 580 NH1 . ARG A 68 ? -11.81781 16.76237 -4.67470 1.000 33.85089 N ? A ? 68 NH1 1
   ATOM 581 NH2 . ARG A 68 ? -13.74963 15.60787 -5.06445 1.000 27.48369 N ? A ? 68 NH2 1
   ATOM 582 N . THR A 69 ? -13.43413 13.80809 2.60009 1.000 23.44324 N ? A ? 69 N 1
   ATOM 583 CA . THR A 69 ? -14.83547 13.63803 2.99477 1.000 22.80760 C ? A ? 69 CA 1
   ATOM 584 C . THR A 69 ? -14.88535 13.53952 4.51475 1.000 29.12173 C ? A ? 69 C 1
   ATOM 585 O . THR A 69 ? -14.96963 12.43561 5.07656 1.000 29.15428 O ? A ? 69 O 1
   ATOM 586 CB . THR A 69 ? -15.47477 12.42322 2.32084 1.000 23.31742 C ? A ? 69 CB 1
   ATOM 587 OG1 . THR A 69 ? -15.14760 12.41791 0.92555 1.000 24.21484 O ? A ? 69 OG1 1
   ATOM 588 CG2 . THR A 69 ? -16.98557 12.49972 2.46879 1.000 19.94082 C ? A ? 69 CG2 1
   ATOM 589 N . PRO A 70 ? -14.81146 14.66895 5.22311 1.000 27.11458 N ? A ? 70 N 1
   ATOM 590 CA . PRO A 70 ? -14.74481 14.61548 6.68857 1.000 25.40589 C ? A ? 70 CA 1
   ATOM 591 C . PRO A 70 ? -15.92565 13.87880 7.29251 1.000 29.08836 C ? A ? 70 C 1
   ATOM 592 O . PRO A 70 ? -17.07425 14.06875 6.88807 1.000 32.37812 O ? A ? 70 O 1
   ATOM 593 CB . PRO A 70 ? -14.75826 16.09479 7.09659 1.000 39.04700 C ? A ? 70 CB 1
   ATOM 594 CG . PRO A 70 ? -14.23282 16.83065 5.90606 1.000 36.00689 C ? A ? 70 CG 1
   ATOM 595 CD . PRO A 70 ? -14.70663 16.05065 4.70709 1.000 31.45629 C ? A ? 70 CD 1
   ATOM 596 N . GLY A 71 ? -15.63297 13.04307 8.28503 1.000 28.74015 N ? A ? 71 N 1
   ATOM 597 CA . GLY A 71 ? -16.67169 12.32364 8.98839 1.000 37.14671 C ? A ? 71 CA 1
   ATOM 598 C . GLY A 71 ? -17.17045 11.08862 8.27934 1.000 37.89180 C ? A ? 71 C 1
   ATOM 599 O . GLY A 71 ? -18.18820 10.52518 8.69497 1.000 43.97222 O ? A ? 71 O 1
   ATOM 600 N . SER A 72 ? -16.48418 10.64806 7.22773 1.000 27.96784 N ? A ? 72 N 1
   ATOM 601 CA . SER A 72 ? -16.93546 9.52825 6.41785 1.000 30.29606 C ? A ? 72 CA 1
   ATOM 602 C . SER A 72 ? -16.33393 8.22379 6.93602 1.000 34.38188 C ? A ? 72 C 1
   ATOM 603 O . SER A 72 ? -15.46803 8.20983 7.81082 1.000 33.12554 O ? A ? 72 O 1
   ATOM 604 CB . SER A 72 ? -16.55361 9.76125 4.95033 1.000 23.29796 C ? A ? 72 CB 1
   ATOM 605 OG . SER A 72 ? -15.14890 9.65838 4.77029 1.000 26.87779 O ? A ? 72 OG 1
   ATOM 606 N . ARG A 73 ? -16.80201 7.11260 6.38475 1.000 26.86293 N ? A ? 73 N 1
   ATOM 607 CA . ARG A 73 ? -16.24766 5.80573 6.69007 1.000 30.27083 C ? A ? 73 CA 1
   ATOM 608 C . ARG A 73 ? -15.48541 5.27962 5.48080 1.000 28.08586 C ? A ? 73 C 1
   ATOM 609 O . ARG A 73 ? -15.53814 5.85092 4.38699 1.000 29.71732 O ? A ? 73 O 1
   ATOM 610 CB . ARG A 73 ? -17.35328 4.82298 7.10424 1.000 31.41660 C ? A ? 73 CB 1
   ATOM 611 CG . ARG A 73 ? -18.25542 5.35316 8.19397 1.000 32.59225 C ? A ? 73 CG 1
   ATOM 612 CD . ARG A 73 ? -18.92240 4.24277 8.98719 1.000 54.56905 C ? A ? 73 CD 1
   ATOM 613 NE . ARG A 73 ? -17.97024 3.55297 9.84857 1.000 68.04162 N ? A ? 73 NE 1
   ATOM 614 CZ . ARG A 73 ? -18.25960 2.49998 10.60198 1.000 66.35212 C ? A ? 73 CZ 1
   ATOM 615 NH1 . ARG A 73 ? -19.48329 1.99445 10.64645 1.000 54.16577 N ? A ? 73 NH1 1
   ATOM 616 NH2 . ARG A 73 ? -17.29418 1.93627 11.32401 1.000 64.38115 N ? A ? 73 NH2 1
   ATOM 617 N . ASN A 74 ? -14.78293 4.17556 5.69701 1.000 26.12009 N ? A ? 74 N 1
   ATOM 618 CA . ASN A 74 ? -13.99661 3.49903 4.68284 1.000 27.33269 C ? A ? 74 CA 1
   ATOM 619 C . ASN A 74 ? -14.26459 1.99330 4.83469 1.000 24.76406 C ? A ? 74 C 1
   ATOM 620 O . ASN A 74 ? -13.37876 1.21488 5.19041 1.000 26.01634 O ? A ? 74 O 1
   ATOM 621 CB . ASN A 74 ? -12.50820 3.85264 4.83023 1.000 22.68123 C ? A ? 74 CB 1
   ATOM 622 CG . ASN A 74 ? -11.63954 3.16288 3.80964 1.000 24.99843 C ? A ? 74 CG 1
   ATOM 623 OD1 . ASN A 74 ? -12.14795 2.59380 2.84048 1.000 30.97107 O ? A ? 74 OD1 1
   ATOM 624 ND2 . ASN A 74 ? -10.31256 3.21485 4.00749 1.000 27.00348 N ? A ? 74 ND2 1
   ATOM 625 N . LEU A 75 ? -15.51191 1.58491 4.54036 1.000 22.10993 N ? A ? 75 N 1
   ATOM 626 CA . LEU A 75 ? -15.91926 0.20649 4.83347 1.000 23.64836 C ? A ? 75 CA 1
   ATOM 627 C . LEU A 75 ? -15.23188 -0.81373 3.93594 1.000 26.68997 C ? A ? 75 C 1
   ATOM 628 O . LEU A 75 ? -15.08582 -1.97730 4.33196 1.000 29.30814 O ? A ? 75 O 1
   ATOM 629 CB . LEU A 75 ? -17.45043 0.07581 4.80281 1.000 26.65891 C ? A ? 75 CB 1
   ATOM 630 CG . LEU A 75 ? -18.14040 0.85864 5.92587 1.000 33.61418 C ? A ? 75 CG 1
   ATOM 631 CD1 . LEU A 75 ? -19.64573 0.78924 5.82309 1.000 33.28650 C ? A ? 75 CD1 1
   ATOM 632 CD2 . LEU A 75 ? -17.65358 0.33251 7.27828 1.000 41.43035 C ? A ? 75 CD2 1
   ATOM 633 N . CYS A 76 ? -14.80904 -0.43148 2.72982 1.000 22.47928 N ? A ? 76 N 1
   ATOM 634 CA . CYS A 76 ? -14.08057 -1.37244 1.89521 1.000 21.21077 C ? A ? 76 CA 1
   ATOM 635 C . CYS A 76 ? -12.58402 -1.36443 2.16262 1.000 24.62312 C ? A ? 76 C 1
   ATOM 636 O . CYS A 76 ? -11.84974 -2.13966 1.52906 1.000 26.31383 O ? A ? 76 O 1
   ATOM 637 CB . CYS A 76 ? -14.36899 -1.10212 0.41978 1.000 21.24463 C ? A ? 76 CB 1
   ATOM 638 SG . CYS A 76 ? -16.09536 -1.61220 0.03250 1.000 23.25792 S ? A ? 76 SG 1
   ATOM 639 N . ASN A 77 ? -12.12130 -0.51701 3.08552 1.000 28.19256 N ? A ? 77 N 1
   ATOM 640 CA . ASN A 77 ? -10.69872 -0.47010 3.45285 1.000 27.48654 C ? A ? 77 CA 1
   ATOM 641 C . ASN A 77 ? -9.77828 -0.24809 2.24859 1.000 27.03455 C ? A ? 77 C 1
   ATOM 642 O . ASN A 77 ? -8.79447 -0.96558 2.03974 1.000 25.90009 O ? A ? 77 O 1
   ATOM 643 CB . ASN A 77 ? -10.27214 -1.69836 4.26844 1.000 35.62847 C ? A ? 77 CB 1
   ATOM 644 CG . ASN A 77 ? -11.05271 -1.82010 5.57366 1.000 45.32854 C ? A ? 77 CG 1
   ATOM 645 OD1 . ASN A 77 ? -11.37582 -2.91472 6.00871 1.000 59.96463 O ? A ? 77 OD1 1
   ATOM 646 ND2 . ASN A 77 ? -11.36477 -0.68073 6.20123 1.000 52.85222 N ? A ? 77 ND2 1
   ATOM 647 N . ILE A 78 ? -10.07524 0.79358 1.47650 1.000 22.79514 N ? A ? 78 N 1
   ATOM 648 CA . ILE A 78 ? -9.29021 1.07940 0.27812 1.000 24.97147 C ? A ? 78 CA 1
   ATOM 649 C . ILE A 78 ? -9.24162 2.57579 0.00421 1.000 21.50832 C ? A ? 78 C 1
   ATOM 650 O . ILE A 78 ? -10.21525 3.30420 0.27300 1.000 20.45500 O ? A ? 78 O 1
   ATOM 651 CB . ILE A 78 ? -9.88179 0.39912 -0.96936 1.000 24.53626 C ? A ? 78 CB 1
   ATOM 652 CG1 . ILE A 78 ? -11.39391 0.62562 -1.02403 1.000 25.14603 C ? A ? 78 CG1 1
   ATOM 653 CG2 . ILE A 78 ? -9.44387 -1.06599 -1.10555 1.000 26.50271 C ? A ? 78 CG2 1
   ATOM 654 CD1 . ILE A 78 ? -11.93838 0.50479 -2.41444 1.000 30.20735 C ? A ? 78 CD1 1
   ATOM 655 N . PRO A 79 ? -8.15197 3.06571 -0.57670 1.000 23.13651 N ? A ? 79 N 1
   ATOM 656 CA . PRO A 79 ? -8.19240 4.41113 -1.15618 1.000 19.59186 C ? A ? 79 CA 1
   ATOM 657 C . PRO A 79 ? -9.15108 4.42348 -2.34219 1.000 19.23683 C ? A ? 79 C 1
   ATOM 658 O . PRO A 79 ? -9.18645 3.48594 -3.14493 1.000 20.68864 O ? A ? 79 O 1
   ATOM 659 CB . PRO A 79 ? -6.74062 4.65422 -1.59410 1.000 20.28531 C ? A ? 79 CB 1
   ATOM 660 CG . PRO A 79 ? -6.16049 3.27662 -1.78745 1.000 30.92520 C ? A ? 79 CG 1
   ATOM 661 CD . PRO A 79 ? -6.88664 2.35287 -0.85323 1.000 28.37291 C ? A ? 79 CD 1
   ATOM 662 N . CYS A 80 ? -9.94103 5.49407 -2.43167 1.000 19.28514 N ? A ? 80 N 1
   ATOM 663 CA . CYS A 80 ? -10.89542 5.61217 -3.53572 1.000 20.04590 C ? A ? 80 CA 1
   ATOM 664 C . CYS A 80 ? -10.20805 5.54805 -4.89030 1.000 21.99451 C ? A ? 80 C 1
   ATOM 665 O . CYS A 80 ? -10.82221 5.11553 -5.87559 1.000 19.15614 O ? A ? 80 O 1
   ATOM 666 CB . CYS A 80 ? -11.69220 6.91057 -3.42472 1.000 19.54664 C ? A ? 80 CB 1
   ATOM 667 SG . CYS A 80 ? -12.72104 7.03941 -1.89593 1.000 18.65666 S ? A ? 80 SG 1
   ATOM 668 N . SER A 81 ? -8.93768 5.98148 -4.97346 1.000 20.57435 N ? A ? 81 N 1
   ATOM 669 CA . SER A 81 ? -8.22953 5.90985 -6.24907 1.000 21.10982 C ? A ? 81 CA 1
   ATOM 670 C . SER A 81 ? -8.10026 4.48173 -6.76158 1.000 18.01308 C ? A ? 81 C 1
   ATOM 671 O . SER A 81 ? -7.99146 4.26594 -7.97313 1.000 22.81482 O ? A ? 81 O 1
   ATOM 672 CB . SER A 81 ? -6.84857 6.56047 -6.11475 1.000 21.44621 C ? A ? 81 CB 1
   ATOM 673 OG . SER A 81 ? -6.07149 5.86776 -5.16505 1.000 28.25183 O ? A ? 81 OG 1
   ATOM 674 N . ALA A 82 ? -8.06412 3.49395 -5.86807 1.000 20.44845 N ? A ? 82 N 1
   ATOM 675 CA . ALA A 82 ? -8.01306 2.09771 -6.30527 1.000 24.86333 C ? A ? 82 CA 1
   ATOM 676 C . ALA A 82 ? -9.22786 1.69374 -7.13246 1.000 28.19117 C ? A ? 82 C 1
   ATOM 677 O . ALA A 82 ? -9.15322 0.75103 -7.92882 1.000 30.02286 O ? A ? 82 O 1
   ATOM 678 CB . ALA A 82 ? -7.86781 1.19188 -5.08909 1.000 29.57713 C ? A ? 82 CB 1
   ATOM 679 N . LEU A 83 ? -10.36050 2.35530 -6.93378 1.000 18.35432 N ? A ? 83 N 1
   ATOM 680 CA . LEU A 83 ? -11.57932 2.10893 -7.70749 1.000 20.49311 C ? A ? 83 CA 1
   ATOM 681 C . LEU A 83 ? -11.52581 2.67464 -9.12010 1.000 27.10804 C ? A ? 83 C 1
   ATOM 682 O . LEU A 83 ? -12.48916 2.48027 -9.86959 1.000 27.13061 O ? A ? 83 O 1
   ATOM 683 CB . LEU A 83 ? -12.78682 2.68708 -6.98248 1.000 20.46883 C ? A ? 83 CB 1
   ATOM 684 CG . LEU A 83 ? -12.96432 2.18368 -5.56758 1.000 20.07097 C ? A ? 83 CG 1
   ATOM 685 CD1 . LEU A 83 ? -14.12044 2.87543 -4.87978 1.000 23.37245 C ? A ? 83 CD1 1
   ATOM 686 CD2 . LEU A 83 ? -13.18711 0.66627 -5.62787 1.000 26.32171 C ? A ? 83 CD2 1
   ATOM 687 N . LEU A 84 ? -10.46607 3.39318 -9.50283 1.000 20.70838 N ? A ? 84 N 1
   ATOM 688 CA . LEU A 84 ? -10.34130 3.95721 -10.84319 1.000 21.93010 C ? A ? 84 CA 1
   ATOM 689 C . LEU A 84 ? -9.43098 3.13199 -11.74531 1.000 24.91802 C ? A ? 84 C 1
   ATOM 690 O . LEU A 84 ? -9.24224 3.48736 -12.91755 1.000 28.33728 O ? A ? 84 O 1
   ATOM 691 CB . LEU A 84 ? -9.84439 5.41236 -10.78482 1.000 18.37279 C ? A ? 84 CB 1
   ATOM 692 CG . LEU A 84 ? -10.70127 6.33649 -9.92449 1.000 22.55819 C ? A ? 84 CG 1
   ATOM 693 CD1 . LEU A 84 ? -10.15230 7.76190 -9.94797 1.000 26.43636 C ? A ? 84 CD1 1
   ATOM 694 CD2 . LEU A 84 ? -12.18578 6.35392 -10.35467 1.000 21.32334 C ? A ? 84 CD2 1
   ATOM 695 N . SER A 85 ? -8.89867 2.03128 -11.23760 1.000 22.73482 N ? A ? 85 N 1
   ATOM 696 CA . SER A 85 ? -7.95842 1.21201 -11.99419 1.000 27.97062 C ? A ? 85 CA 1
   ATOM 697 C . SER A 85 ? -8.62559 0.51842 -13.18152 1.000 27.34211 C ? A ? 85 C 1
   ATOM 698 O . SER A 85 ? -9.83532 0.25241 -13.18482 1.000 26.15069 O ? A ? 85 O 1
   ATOM 699 CB . SER A 85 ? -7.36897 0.14993 -11.07560 1.000 26.20747 C ? A ? 85 CB 1
   ATOM 700 OG . SER A 85 ? -6.62179 -0.80715 -11.80901 1.000 33.25285 O ? A ? 85 OG 1
   ATOM 701 N . SER A 86 ? -7.80779 0.18645 -14.19060 1.000 27.79956 N ? A ? 86 N 1
   ATOM 702 CA . SER A 86 ? -8.28028 -0.64552 -15.29761 1.000 25.32466 C ? A ? 86 CA 1
   ATOM 703 C . SER A 86 ? -8.63769 -2.05804 -14.84997 1.000 29.33818 C ? A ? 86 C 1
   ATOM 704 O . SER A 86 ? -9.42156 -2.74002 -15.52360 1.000 35.56498 O ? A ? 86 O 1
   ATOM 705 CB . SER A 86 ? -7.23279 -0.66361 -16.41139 1.000 33.79510 C ? A ? 86 CB 1
   ATOM 706 OG . SER A 86 ? -6.01430 -1.18622 -15.92171 1.000 39.37268 O ? A ? 86 OG 1
   ATOM 707 N . ASP A 87 ? -8.05863 -2.51650 -13.74675 1.000 24.23796 N ? A ? 87 N 1
   ATOM 708 CA . ASP A 87 ? -8.38588 -3.79201 -13.13784 1.000 26.41115 C ? A ? 87 CA 1
   ATOM 709 C . ASP A 87 ? -9.59260 -3.58198 -12.22473 1.000 26.15583 C ? A ? 87 C 1
   ATOM 710 O . ASP A 87 ? -9.51543 -2.79903 -11.26740 1.000 26.54891 O ? A ? 87 O 1
   ATOM 711 CB . ASP A 87 ? -7.17570 -4.19832 -12.30459 1.000 28.94090 C ? A ? 87 CB 1
   ATOM 712 CG . ASP A 87 ? -7.31420 -5.57520 -11.69813 1.000 42.53121 C ? A ? 87 CG 1
   ATOM 713 OD1 . ASP A 87 ? -8.42050 -5.94595 -11.28329 1.000 37.26229 O ? A ? 87 OD1 1
   ATOM 714 OD2 . ASP A 87 ? -6.30485 -6.30248 -11.64563 1.000 44.91123 O ? A ? 87 OD2 1
   ATOM 715 N . ILE A 88 ? -10.68956 -4.30028 -12.49163 1.000 26.62322 N ? A ? 88 N 1
   ATOM 716 CA . ILE A 88 ? -11.93669 -4.04413 -11.76491 1.000 25.94913 C ? A ? 88 CA 1
   ATOM 717 C . ILE A 88 ? -12.00857 -4.74813 -10.42459 1.000 21.10930 C ? A ? 88 C 1
   ATOM 718 O . ILE A 88 ? -13.02225 -4.60609 -9.72008 1.000 24.01776 O ? A ? 88 O 1
   ATOM 719 CB . ILE A 88 ? -13.22409 -4.30754 -12.57072 1.000 23.04600 C ? A ? 88 CB 1
   ATOM 720 CG1 . ILE A 88 ? -13.35406 -5.80570 -12.91673 1.000 25.35705 C ? A ? 88 CG1 1
   ATOM 721 CG2 . ILE A 88 ? -13.31109 -3.35197 -13.75090 1.000 24.63406 C ? A ? 88 CG2 1
   ATOM 722 CD1 . ILE A 88 ? -14.75373 -6.23231 -13.45805 1.000 28.32588 C ? A ? 88 CD1 1
   ATOM 723 N . THR A 89 ? -10.97379 -5.49839 -10.04018 1.000 23.49053 N ? A ? 89 N 1
   ATOM 724 CA . THR A 89 ? -11.06273 -6.34449 -8.85403 1.000 25.86052 C ? A ? 89 CA 1
   ATOM 725 C . THR A 89 ? -11.51005 -5.56400 -7.62084 1.000 22.95293 C ? A ? 89 C 1
   ATOM 726 O . THR A 89 ? -12.40611 -6.00136 -6.89563 1.000 26.88965 O ? A ? 89 O 1
   ATOM 727 CB . THR A 89 ? -9.72406 -7.03860 -8.60765 1.000 29.10490 C ? A ? 89 CB 1
   ATOM 728 OG1 . THR A 89 ? -9.41735 -7.85998 -9.73701 1.000 29.15422 O ? A ? 89 OG1 1
   ATOM 729 CG2 . THR A 89 ? -9.81036 -7.91914 -7.38820 1.000 31.52298 C ? A ? 89 CG2 1
   ATOM 730 N . ALA A 90 ? -10.89985 -4.39967 -7.37541 1.000 22.68327 N ? A ? 90 N 1
   ATOM 731 CA . ALA A 90 ? -11.23061 -3.64241 -6.17366 1.000 20.80278 C ? A ? 90 CA 1
   ATOM 732 C . ALA A 90 ? -12.68477 -3.18209 -6.19377 1.000 20.24343 C ? A ? 90 C 1
   ATOM 733 O . ALA A 90 ? -13.37576 -3.24542 -5.17142 1.000 24.42855 O ? A ? 90 O 1
   ATOM 734 CB . ALA A 90 ? -10.27675 -2.46007 -6.01628 1.000 27.32359 C ? A ? 90 CB 1
   ATOM 735 N . SER A 91 ? -13.16635 -2.73902 -7.35373 1.000 21.65399 N ? A ? 91 N 1
   ATOM 736 CA . SER A 91 ? -14.55557 -2.29732 -7.45330 1.000 17.70557 C ? A ? 91 CA 1
   ATOM 737 C . SER A 91 ? -15.51215 -3.45741 -7.22696 1.000 19.77323 C ? A ? 91 C 1
   ATOM 738 O . SER A 91 ? -16.53178 -3.30129 -6.53322 1.000 23.25533 O ? A ? 91 O 1
   ATOM 739 CB . SER A 91 ? -14.79869 -1.67451 -8.82355 1.000 21.22386 C ? A ? 91 CB 1
   ATOM 740 OG . SER A 91 ? -14.25819 -0.35350 -8.87286 1.000 23.13503 O ? A ? 91 OG 1
   ATOM 741 N . VAL A 92 ? -15.20639 -4.62728 -7.80111 1.000 21.45997 N ? A ? 92 N 1
   ATOM 742 CA . VAL A 92 ? -16.08342 -5.78329 -7.64762 1.000 17.13101 C ? A ? 92 CA 1
   ATOM 743 C . VAL A 92 ? -16.12790 -6.21447 -6.19345 1.000 18.40783 C ? A ? 92 C 1
   ATOM 744 O . VAL A 92 ? -17.20527 -6.46521 -5.63882 1.000 20.05395 O ? A ? 92 O 1
   ATOM 745 CB . VAL A 92 ? -15.63659 -6.92988 -8.57613 1.000 20.52287 C ? A ? 92 CB 1
   ATOM 746 CG1 . VAL A 92 ? -16.34329 -8.25942 -8.18334 1.000 31.07765 C ? A ? 92 CG1 1
   ATOM 747 CG2 . VAL A 92 ? -15.91882 -6.54919 -10.02294 1.000 28.66823 C ? A ? 92 CG2 1
   ATOM 748 N . ASN A 93 ? -14.95177 -6.31944 -5.55447 1.000 19.80458 N ? A ? 93 N 1
   ATOM 749 CA . ASN A 93 ? -14.90929 -6.73695 -4.15953 1.000 20.54255 C ? A ? 93 CA 1
   ATOM 750 C . ASN A 93 ? -15.68774 -5.78431 -3.26306 1.000 22.85241 C ? A ? 93 C 1
   ATOM 751 O . ASN A 93 ? -16.38983 -6.21541 -2.34042 1.000 24.12491 O ? A ? 93 O 1
   ATOM 752 CB . ASN A 93 ? -13.46123 -6.87147 -3.69156 1.000 26.12002 C ? A ? 93 CB 1
   ATOM 753 CG . ASN A 93 ? -12.78386 -8.07040 -4.30004 1.000 42.58592 C ? A ? 93 CG 1
   ATOM 754 OD1 . ASN A 93 ? -13.45523 -8.96540 -4.80376 1.000 34.18145 O ? A ? 93 OD1 1
   ATOM 755 ND2 . ASN A 93 ? -11.45362 -8.08688 -4.28000 1.000 39.90191 N ? A ? 93 ND2 1
   ATOM 756 N . CYS A 94 ? -15.55690 -4.48244 -3.50158 1.000 18.10070 N ? A ? 94 N 1
   ATOM 757 CA . CYS A 94 ? -16.27956 -3.53324 -2.67339 1.000 22.22088 C ? A ? 94 CA 1
   ATOM 758 C . CYS A 94 ? -17.77478 -3.60550 -2.96126 1.000 23.43768 C ? A ? 94 C 1
   ATOM 759 O . CYS A 94 ? -18.59574 -3.54462 -2.03925 1.000 20.83053 O ? A ? 94 O 1
   ATOM 760 CB . CYS A 94 ? -15.70606 -2.13338 -2.89351 1.000 20.26979 C ? A ? 94 CB 1
   ATOM 761 SG . CYS A 94 ? -16.39816 -0.90071 -1.83191 1.000 22.14435 S ? A ? 94 SG 1
   ATOM 762 N . ALA A 95 ? -18.14770 -3.78232 -4.22891 1.000 21.98522 N ? A ? 95 N 1
   ATOM 763 CA . ALA A 95 ? -19.56791 -3.91440 -4.56928 1.000 20.00074 C ? A ? 95 CA 1
   ATOM 764 C . ALA A 95 ? -20.21278 -5.13099 -3.90106 1.000 22.36878 C ? A ? 95 C 1
   ATOM 765 O . ALA A 95 ? -21.40039 -5.08620 -3.53617 1.000 21.12613 O ? A ? 95 O 1
   ATOM 766 CB . ALA A 95 ? -19.71501 -3.98402 -6.08146 1.000 21.42093 C ? A ? 95 CB 1
   ATOM 767 N . LYS A 96 ? -19.44865 -6.21175 -3.70189 1.000 22.50413 N ? A ? 96 N 1
   ATOM 768 CA . LYS A 96 ? -20.00565 -7.39084 -3.04161 1.000 19.04528 C ? A ? 96 CA 1
   ATOM 769 C . LYS A 96 ? -20.38366 -7.08203 -1.60818 1.000 18.46908 C ? A ? 96 C 1
   ATOM 770 O . LYS A 96 ? -21.39243 -7.59205 -1.10477 1.000 23.15429 O ? A ? 96 O 1
   ATOM 771 CB . LYS A 96 ? -18.98301 -8.51980 -3.10138 1.000 20.31959 C ? A ? 96 CB 1
   ATOM 772 CG . LYS A 96 ? -18.90347 -9.17780 -4.47031 1.000 18.36174 C ? A ? 96 CG 1
   ATOM 773 CD . LYS A 96 ? -17.87443 -10.30668 -4.43491 1.000 27.02674 C ? A ? 96 CD 1
   ATOM 774 CE . LYS A 96 ? -17.80159 -10.99560 -5.77967 1.000 28.06595 C ? A ? 96 CE 1
   ATOM 775 NZ . LYS A 96 ? -16.74193 -12.04288 -5.77333 1.000 33.39469 N ? A ? 96 NZ 1
   ATOM 776 N . LYS A 97 ? -19.61730 -6.21537 -0.94256 1.000 21.32870 N ? A ? 97 N 1
   ATOM 777 CA . LYS A 97 ? -19.98385 -5.77894 0.40010 1.000 21.84118 C ? A ? 97 CA 1
   ATOM 778 C . LYS A 97 ? -21.20582 -4.86456 0.38410 1.000 22.46974 C ? A ? 97 C 1
   ATOM 779 O . LYS A 97 ? -22.07039 -4.96667 1.26035 1.000 25.23614 O ? A ? 97 O 1
   ATOM 780 CB . LYS A 97 ? -18.80216 -5.05135 1.03689 1.000 24.31895 C ? A ? 97 CB 1
   ATOM 781 CG . LYS A 97 ? -17.56017 -5.90307 1.17214 1.000 36.44384 C ? A ? 97 CG 1
   ATOM 782 CD . LYS A 97 ? -16.59871 -5.23435 2.15010 1.000 44.90612 C ? A ? 97 CD 1
   ATOM 783 CE . LYS A 97 ? -15.31030 -6.02444 2.31524 1.000 44.39865 C ? A ? 97 CE 1
   ATOM 784 NZ . LYS A 97 ? -14.14547 -5.34106 1.68228 1.000 51.81775 N ? A ? 97 NZ 1
   ATOM 785 N . ILE A 98 ? -21.26051 -3.91978 -0.55874 1.000 17.47310 N ? A ? 98 N 1
   ATOM 786 CA . ILE A 98 ? -22.40636 -3.01470 -0.64491 1.000 18.29966 C ? A ? 98 CA 1
   ATOM 787 C . ILE A 98 ? -23.69990 -3.80242 -0.82303 1.000 20.23274 C ? A ? 98 C 1
   ATOM 788 O . ILE A 98 ? -24.69170 -3.57291 -0.11549 1.000 21.51980 O ? A ? 98 O 1
   ATOM 789 CB . ILE A 98 ? -22.19232 -2.01321 -1.78933 1.000 20.99087 C ? A ? 98 CB 1
   ATOM 790 CG1 . ILE A 98 ? -20.93829 -1.17755 -1.51306 1.000 25.16679 C ? A ? 98 CG1 1
   ATOM 791 CG2 . ILE A 98 ? -23.37832 -1.06053 -1.92059 1.000 21.21284 C ? A ? 98 CG2 1
   ATOM 792 CD1 . ILE A 98 ? -20.59433 -0.19744 -2.62826 1.000 25.22857 C ? A ? 98 CD1 1
   ATOM 793 N . VAL A 99 ? -23.72136 -4.71436 -1.79566 1.000 20.16572 N ? A ? 99 N 1
   ATOM 794 CA . VAL A 99 ? -24.97744 -5.39400 -2.12437 1.000 17.66676 C ? A ? 99 CA 1
   ATOM 795 C . VAL A 99 ? -25.41384 -6.30323 -0.99222 1.000 26.88104 C ? A ? 99 C 1
   ATOM 796 O . VAL A 99 ? -26.59127 -6.65870 -0.91007 1.000 27.74284 O ? A ? 99 O 1
   ATOM 797 CB . VAL A 99 ? -24.84142 -6.11053 -3.48086 1.000 19.96654 C ? A ? 99 CB 1
   ATOM 798 CG1 . VAL A 99 ? -23.98173 -7.40331 -3.36626 1.000 19.33702 C ? A ? 99 CG1 1
   ATOM 799 CG2 . VAL A 99 ? -26.20874 -6.42161 -4.11568 1.000 27.32546 C ? A ? 99 CG2 1
   ATOM 800 N . SER A 100 ? -24.49574 -6.64902 -0.09461 1.000 24.44565 N ? A ? 100 N 1
   ATOM 801 CA . SER A 100 ? -24.73233 -7.54000 1.03435 1.000 23.55635 C ? A ? 100 CA 1
   ATOM 802 C . SER A 100 ? -25.27738 -6.82109 2.25666 1.000 30.04191 C ? A ? 100 C 1
   ATOM 803 O . SER A 100 ? -25.56563 -7.47718 3.25827 1.000 37.68883 O ? A ? 100 O 1
   ATOM 804 CB . SER A 100 ? -23.42565 -8.24985 1.42245 1.000 28.62470 C ? A ? 100 CB 1
   ATOM 805 OG . SER A 100 ? -22.99808 -9.10723 0.39089 1.000 30.94628 O ? A ? 100 OG 1
   ATOM 806 N . ASP A 101 ? -25.42152 -5.50093 2.21128 1.000 29.95470 N ? A ? 101 N 1
   ATOM 807 CA . ASP A 101 ? -25.62805 -4.74431 3.43560 1.000 28.10597 C ? A ? 101 CA 1
   ATOM 808 C . ASP A 101 ? -27.09331 -4.59366 3.79774 1.000 38.93169 C ? A ? 101 C 1
   ATOM 809 O . ASP A 101 ? -27.40709 -3.86996 4.74582 1.000 35.20047 O ? A ? 101 O 1
   ATOM 810 CB . ASP A 101 ? -24.92566 -3.37747 3.37667 1.000 29.09485 C ? A ? 101 CB 1
   ATOM 811 CG . ASP A 101 ? -25.65720 -2.37438 2.51687 1.000 41.56119 C ? A ? 101 CG 1
   ATOM 812 OD1 . ASP A 101 ? -26.75392 -2.68028 1.97641 1.000 34.06559 O ? A ? 101 OD1 1
   ATOM 813 OD2 . ASP A 101 ? -25.12482 -1.25249 2.38276 1.000 40.41687 O ? A ? 101 OD2 1
   ATOM 814 N . GLY A 102 ? -27.99304 -5.21055 3.02778 1.000 34.63691 N ? A ? 102 N 1
   ATOM 815 CA . GLY A 102 ? -29.41072 -5.24253 3.33700 1.000 32.61054 C ? A ? 102 CA 1
   ATOM 816 C . GLY A 102 ? -30.29334 -4.62493 2.26528 1.000 35.69156 C ? A ? 102 C 1
   ATOM 817 O . GLY A 102 ? -31.44902 -5.03655 2.11859 1.000 31.80360 O ? A ? 102 O 1
   ATOM 818 N . ASN A 103 ? -29.77573 -3.64226 1.52477 1.000 26.39475 N ? A ? 103 N 1
   ATOM 819 CA . ASN A 103 ? -30.59394 -2.92334 0.55045 1.000 27.45161 C ? A ? 103 CA 1
   ATOM 820 C . ASN A 103 ? -30.42992 -3.42267 -0.87723 1.000 19.74542 C ? A ? 103 C 1
   ATOM 821 O . ASN A 103 ? -31.05409 -2.85391 -1.78208 1.000 21.55400 O ? A ? 103 O 1
   ATOM 822 CB . ASN A 103 ? -30.33673 -1.41404 0.61423 1.000 33.92255 C ? A ? 103 CB 1
   ATOM 823 CG . ASN A 103 ? -30.76514 -0.81569 1.93367 1.000 44.76617 C ? A ? 103 CG 1
   ATOM 824 OD1 . ASN A 103 ? -31.75635 -1.24644 2.52577 1.000 51.76317 O ? A ? 103 OD1 1
   ATOM 825 ND2 . ASN A 103 ? -30.02023 0.17266 2.40919 1.000 58.15271 N ? A ? 103 ND2 1
   ATOM 826 N . GLY A 104 ? -29.63203 -4.46362 -1.09439 1.000 18.40902 N ? A ? 104 N 1
   ATOM 827 CA . GLY A 104 ? -29.45538 -5.07874 -2.38330 1.000 18.78555 C ? A ? 104 CA 1
   ATOM 828 C . GLY A 104 ? -28.90003 -4.06141 -3.35801 1.000 19.49395 C ? A ? 104 C 1
   ATOM 829 O . GLY A 104 ? -28.11293 -3.17343 -2.99141 1.000 20.93435 O ? A ? 104 O 1
   ATOM 830 N . MET A 105 ? -29.32632 -4.16011 -4.61126 1.000 17.24198 N ? A ? 105 N 1
   ATOM 831 CA . MET A 105 ? -28.83312 -3.21363 -5.61445 1.000 14.06779 C ? A ? 105 CA 1
   ATOM 832 C . MET A 105 ? -29.52863 -1.87164 -5.57758 1.000 19.88809 C ? A ? 105 C 1
   ATOM 833 O . MET A 105 ? -29.16082 -0.99965 -6.36580 1.000 17.22403 O ? A ? 105 O 1
   ATOM 834 CB . MET A 105 ? -28.91766 -3.82770 -7.00608 1.000 14.26289 C ? A ? 105 CB 1
   ATOM 835 CG . MET A 105 ? -27.82990 -4.90353 -7.20836 1.000 17.71378 C ? A ? 105 CG 1
   ATOM 836 SD . MET A 105 ? -27.53635 -5.39922 -8.91101 1.000 20.06401 S ? A ? 105 SD 1
   ATOM 837 CE . MET A 105 ? -26.71523 -3.93755 -9.57853 1.000 19.30625 C ? A ? 105 CE 1
   ATOM 838 N . ASN A 106 ? -30.52336 -1.68246 -4.70163 1.000 18.18117 N ? A ? 106 N 1
   ATOM 839 CA . ASN A 106 ? -31.12275 -0.35791 -4.53784 1.000 19.83934 C ? A ? 106 CA 1
   ATOM 840 C . ASN A 106 ? -30.10741 0.67691 -4.07722 1.000 19.87077 C ? A ? 106 C 1
   ATOM 841 O . ASN A 106 ? -30.39427 1.87667 -4.16313 1.000 20.76154 O ? A ? 106 O 1
   ATOM 842 CB . ASN A 106 ? -32.29662 -0.44617 -3.55931 1.000 21.57284 C ? A ? 106 CB 1
   ATOM 843 CG . ASN A 106 ? -33.42896 -1.27886 -4.11179 1.000 19.54308 C ? A ? 106 CG 1
   ATOM 844 OD1 . ASN A 106 ? -34.04399 -0.91886 -5.10351 1.000 23.75884 O ? A ? 106 OD1 1
   ATOM 845 ND2 . ASN A 106 ? -33.65274 -2.43849 -3.51910 1.000 22.39394 N ? A ? 106 ND2 1
   ATOM 846 N . ALA A 107 ? -28.93374 0.23971 -3.60362 1.000 19.99935 N ? A ? 107 N 1
   ATOM 847 CA . ALA A 107 ? -27.87346 1.18348 -3.27032 1.000 19.33503 C ? A ? 107 CA 1
   ATOM 848 C . ALA A 107 ? -27.42573 2.02607 -4.46474 1.000 24.36772 C ? A ? 107 C 1
   ATOM 849 O . ALA A 107 ? -26.80791 3.08162 -4.26438 1.000 24.35742 O ? A ? 107 O 1
   ATOM 850 CB . ALA A 107 ? -26.67882 0.40628 -2.74460 1.000 23.12623 C ? A ? 107 CB 1
   ATOM 851 N . TRP A 108 ? -27.67882 1.57572 -5.69099 1.000 19.02110 N ? A ? 108 N 1
   ATOM 852 CA . TRP A 108 ? -27.25564 2.25249 -6.91280 1.000 18.31955 C ? A ? 108 CA 1
   ATOM 853 C . TRP A 108 ? -28.50285 2.89904 -7.50181 1.000 20.54314 C ? A ? 108 C 1
   ATOM 854 O . TRP A 108 ? -29.39247 2.20371 -8.00566 1.000 19.27774 O ? A ? 108 O 1
   ATOM 855 CB . TRP A 108 ? -26.59419 1.28644 -7.90607 1.000 16.27147 C ? A ? 108 CB 1
   ATOM 856 CG . TRP A 108 ? -25.17940 0.88155 -7.52306 1.000 19.53462 C ? A ? 108 CG 1
   ATOM 857 CD1 . TRP A 108 ? -24.04426 1.60154 -7.74912 1.000 20.73965 C ? A ? 108 CD1 1
   ATOM 858 CD2 . TRP A 108 ? -24.77919 -0.28700 -6.79354 1.000 16.72816 C ? A ? 108 CD2 1
   ATOM 859 NE1 . TRP A 108 ? -22.95609 0.92114 -7.25886 1.000 17.19917 N ? A ? 108 NE1 1
   ATOM 860 CE2 . TRP A 108 ? -23.37033 -0.24237 -6.66426 1.000 18.24423 C ? A ? 108 CE2 1
   ATOM 861 CE3 . TRP A 108 ? -25.47219 -1.39879 -6.27561 1.000 18.21711 C ? A ? 108 CE3 1
   ATOM 862 CZ2 . TRP A 108 ? -22.65321 -1.22252 -6.00003 1.000 20.72548 C ? A ? 108 CZ2 1
   ATOM 863 CZ3 . TRP A 108 ? -24.74697 -2.39137 -5.62449 1.000 19.41638 C ? A ? 108 CZ3 1
   ATOM 864 CH2 . TRP A 108 ? -23.35118 -2.30064 -5.49620 1.000 18.84420 C ? A ? 108 CH2 1
   ATOM 865 N A VAL A 109 ? -28.56890 4.23388 -7.41496 0.679 19.53951 N ? A ? 109 N 1
   ATOM 866 CA A VAL A 109 ? -29.76822 4.95839 -7.82347 0.679 22.03982 C ? A ? 109 CA 1
   ATOM 867 C A VAL A 109 ? -30.13049 4.65619 -9.27394 0.679 18.22863 C ? A ? 109 C 1
   ATOM 868 O A VAL A 109 ? -31.30673 4.44722 -9.59921 0.679 20.66659 O ? A ? 109 O 1
   ATOM 869 CB A VAL A 109 ? -29.57996 6.46756 -7.56745 0.679 23.02406 C ? A ? 109 CB 1
   ATOM 870 CG1 A VAL A 109 ? -28.40940 6.98750 -8.35873 0.679 23.63359 C ? A ? 109 CG1 1
   ATOM 871 CG2 A VAL A 109 ? -30.84694 7.22852 -7.91940 0.679 23.60967 C ? A ? 109 CG2 1
   ATOM 872 N C VAL A 109 ? -28.56431 4.23233 -7.45440 0.321 19.56122 N ? A ? 109 N 1
   ATOM 873 CA C VAL A 109 ? -29.76278 4.92595 -7.91644 0.321 21.89326 C ? A ? 109 CA 1
   ATOM 874 C C VAL A 109 ? -29.99994 4.71421 -9.40867 0.321 18.21494 C ? A ? 109 C 1
   ATOM 875 O C VAL A 109 ? -31.15136 4.66019 -9.85791 0.321 20.32418 O ? A ? 109 O 1
   ATOM 876 CB C VAL A 109 ? -29.69691 6.41488 -7.52528 0.321 23.19064 C ? A ? 109 CB 1
   ATOM 877 CG1 C VAL A 109 ? -29.53381 6.54539 -6.02142 0.321 23.73803 C ? A ? 109 CG1 1
   ATOM 878 CG2 C VAL A 109 ? -28.55522 7.09152 -8.24454 0.321 23.63876 C ? A ? 109 CG2 1
   ATOM 879 N A ALA A 110 ? -29.13144 4.61260 -10.16056 0.679 18.67576 N ? A ? 110 N 1
   ATOM 880 CA A ALA A 110 ? -29.38303 4.37235 -11.57799 0.679 14.94909 C ? A ? 110 CA 1
   ATOM 881 C A ALA A 110 ? -29.89364 2.95369 -11.82333 0.679 19.40054 C ? A ? 110 C 1
   ATOM 882 O A ALA A 110 ? -30.67795 2.73206 -12.74649 0.679 22.18096 O ? A ? 110 O 1
   ATOM 883 CB A ALA A 110 ? -28.11843 4.63407 -12.40418 0.679 19.76483 C ? A ? 110 CB 1
   ATOM 884 N C ALA A 110 ? -28.93426 4.57693 -10.19969 0.321 19.47635 N ? A ? 110 N 1
   ATOM 885 CA C ALA A 110 ? -29.12127 4.32412 -11.62497 0.321 16.18844 C ? A ? 110 CA 1
   ATOM 886 C C ALA A 110 ? -29.76806 2.96298 -11.86362 0.321 19.66399 C ? A ? 110 C 1
   ATOM 887 O C ALA A 110 ? -30.58125 2.80998 -12.77906 0.321 21.77014 O ? A ? 110 O 1
   ATOM 888 CB C ALA A 110 ? -27.78639 4.43169 -12.36428 0.321 18.65601 C ? A ? 110 CB 1
   ATOM 889 N . TRP A 111 ? -29.41126 1.96534 -11.06210 1.000 18.95208 N ? A ? 111 N 1
   ATOM 890 CA . TRP A 111 ? -29.99579 0.62959 -11.18699 1.000 16.19074 C ? A ? 111 CA 1
   ATOM 891 C . TRP A 111 ? -31.47990 0.65575 -10.83136 1.000 17.19469 C ? A ? 111 C 1
   ATOM 892 O . TRP A 111 ? -32.31558 0.12775 -11.56353 1.000 19.35878 O ? A ? 111 O 1
   ATOM 893 CB . TRP A 111 ? -29.27378 -0.38148 -10.30210 1.000 18.87962 C ? A ? 111 CB 1
   ATOM 894 CG . TRP A 111 ? -29.92150 -1.73896 -10.39035 1.000 17.37932 C ? A ? 111 CG 1
   ATOM 895 CD1 . TRP A 111 ? -29.70505 -2.68516 -11.36447 1.000 18.85414 C ? A ? 111 CD1 1
   ATOM 896 CD2 . TRP A 111 ? -30.91271 -2.29649 -9.50891 1.000 16.85067 C ? A ? 111 CD2 1
   ATOM 897 NE1 . TRP A 111 ? -30.48181 -3.78813 -11.12560 1.000 17.54036 N ? A ? 111 NE1 1
   ATOM 898 CE2 . TRP A 111 ? -31.23230 -3.57496 -10.00196 1.000 14.92431 C ? A ? 111 CE2 1
   ATOM 899 CE3 . TRP A 111 ? -31.54971 -1.84610 -8.34459 1.000 19.87375 C ? A ? 111 CE3 1
   ATOM 900 CZ2 . TRP A 111 ? -32.16339 -4.41180 -9.37046 1.000 19.99248 C ? A ? 111 CZ2 1
   ATOM 901 CZ3 . TRP A 111 ? -32.45798 -2.66659 -7.71211 1.000 23.38487 C ? A ? 111 CZ3 1
   ATOM 902 CH2 . TRP A 111 ? -32.76100 -3.94538 -8.22288 1.000 18.19348 C ? A ? 111 CH2 1
   ATOM 903 N A ARG A 112 ? -31.81699 1.26924 -9.69624 0.521 18.98136 N ? A ? 112 N 1
   ATOM 904 CA A ARG A 112 ? -33.21111 1.38303 -9.28187 0.521 20.89161 C ? A ? 112 CA 1
   ATOM 905 C A ARG A 112 ? -34.05873 2.02928 -10.37091 0.521 19.47772 C ? A ? 112 C 1
   ATOM 906 O A ARG A 112 ? -35.13754 1.53570 -10.71229 0.521 19.51076 O ? A ? 112 O 1
   ATOM 907 CB A ARG A 112 ? -33.26028 2.23269 -8.01454 0.521 23.61774 C ? A ? 112 CB 1
   ATOM 908 CG A ARG A 112 ? -34.21770 1.76080 -6.95302 0.521 31.04587 C ? A ? 112 CG 1
   ATOM 909 CD A ARG A 112 ? -33.78095 2.31360 -5.60346 0.521 26.18237 C ? A ? 112 CD 1
   ATOM 910 NE A ARG A 112 ? -33.05989 3.57155 -5.73511 0.521 33.52093 N ? A ? 112 NE 1
   ATOM 911 CZ A ARG A 112 ? -32.53987 4.23802 -4.71542 0.521 34.08299 C ? A ? 112 CZ 1
   ATOM 912 NH1 A ARG A 112 ? -32.66456 3.80350 -3.47296 0.521 38.73608 N ? A ? 112 NH1 1
   ATOM 913 NH2 A ARG A 112 ? -31.87401 5.36483 -4.94762 0.521 41.41916 N ? A ? 112 NH2 1
   ATOM 914 N B ARG A 112 ? -31.81284 1.28560 -9.70077 0.479 18.99658 N ? A ? 112 N 1
   ATOM 915 CA B ARG A 112 ? -33.21031 1.36696 -9.28242 0.479 20.88973 C ? A ? 112 CA 1
   ATOM 916 C B ARG A 112 ? -34.07505 2.04897 -10.33775 0.479 19.53667 C ? A ? 112 C 1
   ATOM 917 O B ARG A 112 ? -35.18717 1.59509 -10.62311 0.479 19.49883 O ? A ? 112 O 1
   ATOM 918 CB B ARG A 112 ? -33.30489 2.10532 -7.94386 0.479 23.81731 C ? A ? 112 CB 1
   ATOM 919 CG B ARG A 112 ? -34.71844 2.50110 -7.52740 0.479 24.80863 C ? A ? 112 CG 1
   ATOM 920 CD B ARG A 112 ? -34.77579 2.87272 -6.04560 0.479 29.95232 C ? A ? 112 CD 1
   ATOM 921 NE B ARG A 112 ? -33.96267 4.04031 -5.72284 0.479 31.53367 N ? A ? 112 NE 1
   ATOM 922 CZ B ARG A 112 ? -34.37346 5.29155 -5.86774 0.479 35.77412 C ? A ? 112 CZ 1
   ATOM 923 NH1 B ARG A 112 ? -35.55921 5.57219 -6.39305 0.479 32.21588 N ? A ? 112 NH1 1
   ATOM 924 NH2 B ARG A 112 ? -33.57784 6.28375 -5.47579 0.479 27.39591 N ? A ? 112 NH2 1
   ATOM 925 N . ASN A 113 ? -33.58922 3.15032 -10.91765 1.000 18.10882 N ? A ? 113 N 1
   ATOM 926 CA . ASN A 113 ? -34.41906 3.96199 -11.80684 1.000 16.69195 C ? A ? 113 CA 1
   ATOM 927 C . ASN A 113 ? -34.37195 3.52892 -13.26151 1.000 20.96841 C ? A ? 113 C 1
   ATOM 928 O . ASN A 113 ? -35.29156 3.86848 -14.02438 1.000 26.22137 O ? A ? 113 O 1
   ATOM 929 CB . ASN A 113 ? -34.01160 5.43536 -11.70828 1.000 17.68499 C ? A ? 113 CB 1
   ATOM 930 CG . ASN A 113 ? -34.38149 6.02849 -10.39736 1.000 23.79696 C ? A ? 113 CG 1
   ATOM 931 OD1 . ASN A 113 ? -35.40449 5.66905 -9.81062 1.000 25.54595 O ? A ? 113 OD1 1
   ATOM 932 ND2 . ASN A 113 ? -33.57150 6.95226 -9.92303 1.000 21.92285 N ? A ? 113 ND2 1
   ATOM 933 N . ARG A 114 ? -33.34240 2.76942 -13.67493 1.000 20.27484 N ? A ? 114 N 1
   ATOM 934 CA . ARG A 114 ? -33.17042 2.46247 -15.08206 1.000 16.39525 C ? A ? 114 CA 1
   ATOM 935 C . ARG A 114 ? -32.97467 0.99964 -15.38159 1.000 21.60675 C ? A ? 114 C 1
   ATOM 936 O . ARG A 114 ? -33.03549 0.63464 -16.55989 1.000 22.89905 O ? A ? 114 O 1
   ATOM 937 CB . ARG A 114 ? -31.97458 3.24027 -15.62717 1.000 16.88282 C ? A ? 114 CB 1
   ATOM 938 CG . ARG A 114 ? -32.17429 4.73853 -15.28190 1.000 23.33721 C ? A ? 114 CG 1
   ATOM 939 CD . ARG A 114 ? -31.08639 5.58984 -15.80451 1.000 23.13446 C ? A ? 114 CD 1
   ATOM 940 NE . ARG A 114 ? -31.16887 5.70384 -17.25106 1.000 23.89010 N ? A ? 114 NE 1
   ATOM 941 CZ . ARG A 114 ? -30.35752 6.46681 -17.96532 1.000 22.56938 C ? A ? 114 CZ 1
   ATOM 942 NH1 . ARG A 114 ? -29.36337 7.12609 -17.39477 1.000 25.39042 N ? A ? 114 NH1 1
   ATOM 943 NH2 . ARG A 114 ? -30.51940 6.52729 -19.28711 1.000 26.61020 N ? A ? 114 NH2 1
   ATOM 944 N . CYS A 115 ? -32.73844 0.16179 -14.37773 1.000 19.26230 N ? A ? 115 N 1
   ATOM 945 CA . CYS A 115 ? -32.53600 -1.26336 -14.61359 1.000 19.60507 C ? A ? 115 CA 1
   ATOM 946 C . CYS A 115 ? -33.57056 -2.14364 -13.93717 1.000 19.70791 C ? A ? 115 C 1
   ATOM 947 O . CYS A 115 ? -34.05104 -3.09881 -14.55513 1.000 19.48403 O ? A ? 115 O 1
   ATOM 948 CB . CYS A 115 ? -31.14401 -1.72975 -14.16035 1.000 16.45470 C ? A ? 115 CB 1
   ATOM 949 SG . CYS A 115 ? -29.77087 -0.78247 -14.88743 1.000 18.30290 S ? A ? 115 SG 1
   ATOM 950 N . LYS A 116 ? -33.92730 -1.82712 -12.69197 1.000 17.00174 N ? A ? 116 N 1
   ATOM 951 CA . LYS A 116 ? -34.87232 -2.62648 -11.92643 1.000 16.62659 C ? A ? 116 CA 1
   ATOM 952 C . LYS A 116 ? -36.17994 -2.77892 -12.69761 1.000 21.80996 C ? A ? 116 C 1
   ATOM 953 O . LYS A 116 ? -36.72776 -1.79647 -13.21383 1.000 21.84139 O ? A ? 116 O 1
   ATOM 954 CB . LYS A 116 ? -35.11282 -1.93314 -10.58077 1.000 20.74163 C ? A ? 116 CB 1
   ATOM 955 CG . LYS A 116 ? -36.00512 -2.68747 -9.57313 1.000 18.84681 C ? A ? 116 CG 1
   ATOM 956 CD . LYS A 116 ? -36.05530 -1.89117 -8.26705 1.000 20.99995 C ? A ? 116 CD 1
   ATOM 957 CE . LYS A 116 ? -36.76925 -2.63430 -7.14538 1.000 24.43250 C ? A ? 116 CE 1
   ATOM 958 NZ . LYS A 116 ? -36.74099 -1.88221 -5.84884 1.000 24.54855 N ? A ? 116 NZ 1
   ATOM 959 N . GLY A 117 ? -36.63184 -4.02071 -12.83559 1.000 29.63270 N ? A ? 117 N 1
   ATOM 960 CA . GLY A 117 ? -37.90165 -4.26453 -13.49883 1.000 28.78095 C ? A ? 117 CA 1
   ATOM 961 C . GLY A 117 ? -37.86290 -4.19266 -15.00686 1.000 30.75557 C ? A ? 117 C 1
   ATOM 962 O . GLY A 117 ? -38.91750 -4.09439 -15.64070 1.000 36.31934 O ? A ? 117 O 1
   ATOM 963 N . THR A 118 ? -36.68431 -4.22861 -15.60747 1.000 26.45860 N ? A ? 118 N 1
   ATOM 964 CA . THR A 118 ? -36.53682 -4.27394 -17.05108 1.000 25.13091 C ? A ? 118 CA 1
   ATOM 965 C . THR A 118 ? -35.96304 -5.63094 -17.43437 1.000 25.18562 C ? A ? 118 C 1
   ATOM 966 O . THR A 118 ? -35.60894 -6.44899 -16.58031 1.000 26.79563 O ? A ? 118 O 1
   ATOM 967 CB . THR A 118 ? -35.67736 -3.11529 -17.56335 1.000 31.57631 C ? A ? 118 CB 1
   ATOM 968 OG1 . THR A 118 ? -34.29256 -3.34042 -17.22798 1.000 23.51946 O ? A ? 118 OG1 1
   ATOM 969 CG2 . THR A 118 ? -36.14560 -1.79310 -16.95185 1.000 25.15956 C ? A ? 118 CG2 1
   ATOM 970 N . ASP A 119 ? -35.86753 -5.87203 -18.73903 1.000 30.06228 N ? A ? 119 N 1
   ATOM 971 CA . ASP A 119 ? -35.28092 -7.10921 -19.25093 1.000 29.40473 C ? A ? 119 CA 1
   ATOM 972 C . ASP A 119 ? -33.76287 -6.96671 -19.19057 1.000 27.80077 C ? A ? 119 C 1
   ATOM 973 O . ASP A 119 ? -33.09817 -6.61343 -20.16848 1.000 30.24494 O ? A ? 119 O 1
   ATOM 974 CB . ASP A 119 ? -35.75495 -7.35638 -20.67737 1.000 33.16917 C ? A ? 119 CB 1
   ATOM 975 CG . ASP A 119 ? -35.20546 -8.64972 -21.25520 1.000 41.14768 C ? A ? 119 CG 1
   ATOM 976 OD1 . ASP A 119 ? -34.82488 -9.53502 -20.46121 1.000 44.84787 O ? A ? 119 OD1 1
   ATOM 977 OD2 . ASP A 119 ? -35.13799 -8.76751 -22.49703 1.000 47.34591 O ? A ? 119 OD2 1
   ATOM 978 N . VAL A 120 ? -33.20112 -7.23813 -18.00909 1.000 28.31131 N ? A ? 120 N 1
   ATOM 979 CA . VAL A 120 ? -31.76976 -7.00335 -17.84699 1.000 28.69573 C ? A ? 120 CA 1
   ATOM 980 C . VAL A 120 ? -30.92520 -8.01713 -18.60454 1.000 29.19093 C ? A ? 120 C 1
   ATOM 981 O . VAL A 120 ? -29.73538 -7.77141 -18.84868 1.000 26.47125 O ? A ? 120 O 1
   ATOM 982 CB . VAL A 120 ? -31.33407 -6.87378 -16.37352 1.000 26.23500 C ? A ? 120 CB 1
   ATOM 983 CG1 . VAL A 120 ? -31.98911 -5.63398 -15.71378 1.000 24.12454 C ? A ? 120 CG1 1
   ATOM 984 CG2 . VAL A 120 ? -31.60606 -8.15291 -15.60198 1.000 27.06967 C ? A ? 120 CG2 1
   ATOM 985 N . GLN A 121 ? -31.49192 -9.17310 -18.96662 1.000 24.98026 N ? A ? 121 N 1
   ATOM 986 CA . GLN A 121 ? -30.71168 -10.15476 -19.70826 1.000 25.87070 C ? A ? 121 CA 1
   ATOM 987 C . GLN A 121 ? -30.25712 -9.58958 -21.04952 1.000 27.29082 C ? A ? 121 C 1
   ATOM 988 O . GLN A 121 ? -29.24604 -10.03760 -21.61045 1.000 30.15914 O ? A ? 121 O 1
   ATOM 989 CB . GLN A 121 ? -31.58538 -11.40628 -19.91029 1.000 30.16822 C ? A ? 121 CB 1
   ATOM 990 CG . GLN A 121 ? -30.85543 -12.60789 -20.46109 1.000 43.76432 C ? A ? 121 CG 1
   ATOM 991 CD . GLN A 121 ? -30.71109 -13.72729 -19.43404 1.000 69.82401 C ? A ? 121 CD 1
   ATOM 992 OE1 . GLN A 121 ? -31.37218 -13.72372 -18.39112 1.000 72.61458 O ? A ? 121 OE1 1
   ATOM 993 NE2 . GLN A 121 ? -29.83876 -14.68860 -19.72579 1.000 60.11261 N ? A ? 121 NE2 1
   ATOM 994 N . ALA A 122 ? -30.99061 -8.60688 -21.57524 1.000 23.61316 N ? A ? 122 N 1
   ATOM 995 CA . ALA A 122 ? -30.60803 -7.96898 -22.83209 1.000 27.87101 C ? A ? 122 CA 1
   ATOM 996 C . ALA A 122 ? -29.19327 -7.40935 -22.79432 1.000 27.75391 C ? A ? 122 C 1
   ATOM 997 O . ALA A 122 ? -28.54527 -7.30009 -23.84134 1.000 29.92013 O ? A ? 122 O 1
   ATOM 998 CB . ALA A 122 ? -31.59574 -6.86374 -23.18566 1.000 37.04231 C ? A ? 122 CB 1
   ATOM 999 N . TRP A 123 ? -28.70042 -7.04225 -21.60638 1.000 27.86305 N ? A ? 123 N 1
   ATOM 1000 CA . TRP A 123 ? -27.35970 -6.47202 -21.50918 1.000 25.05910 C ? A ? 123 CA 1
   ATOM 1001 C . TRP A 123 ? -26.24322 -7.49157 -21.69403 1.000 21.38501 C ? A ? 123 C 1
   ATOM 1002 O . TRP A 123 ? -25.08417 -7.09829 -21.89553 1.000 28.07123 O ? A ? 123 O 1
   ATOM 1003 CB . TRP A 123 ? -27.19087 -5.72725 -20.18458 1.000 25.92201 C ? A ? 123 CB 1
   ATOM 1004 CG . TRP A 123 ? -27.99631 -4.50233 -20.15189 1.000 25.74653 C ? A ? 123 CG 1
   ATOM 1005 CD1 . TRP A 123 ? -29.24836 -4.35720 -19.64053 1.000 27.44815 C ? A ? 123 CD1 1
   ATOM 1006 CD2 . TRP A 123 ? -27.62553 -3.21977 -20.68808 1.000 23.13897 C ? A ? 123 CD2 1
   ATOM 1007 NE1 . TRP A 123 ? -29.67809 -3.06129 -19.81876 1.000 26.43151 N ? A ? 123 NE1 1
   ATOM 1008 CE2 . TRP A 123 ? -28.70236 -2.34543 -20.45937 1.000 25.16754 C ? A ? 123 CE2 1
   ATOM 1009 CE3 . TRP A 123 ? -26.48340 -2.73776 -21.33549 1.000 25.41341 C ? A ? 123 CE3 1
   ATOM 1010 CZ2 . TRP A 123 ? -28.66579 -0.99621 -20.84015 1.000 29.82740 C ? A ? 123 CZ2 1
   ATOM 1011 CZ3 . TRP A 123 ? -26.44436 -1.39896 -21.72805 1.000 29.10199 C ? A ? 123 CZ3 1
   ATOM 1012 CH2 . TRP A 123 ? -27.53850 -0.55084 -21.48234 1.000 31.18829 C ? A ? 123 CH2 1
   ATOM 1013 N . ILE A 124 ? -26.54051 -8.78788 -21.64282 1.000 24.95230 N ? A ? 124 N 1
   ATOM 1014 CA . ILE A 124 ? -25.52218 -9.79399 -21.89225 1.000 28.03423 C ? A ? 124 CA 1
   ATOM 1015 C . ILE A 124 ? -25.81361 -10.61845 -23.14396 1.000 23.51826 C ? A ? 124 C 1
   ATOM 1016 O . ILE A 124 ? -25.06853 -11.54264 -23.45574 1.000 27.13423 O ? A ? 124 O 1
   ATOM 1017 CB . ILE A 124 ? -25.22777 -10.65773 -20.65146 1.000 28.59979 C ? A ? 124 CB 1
   ATOM 1018 CG1 . ILE A 124 ? -26.51079 -11.31516 -20.13272 1.000 27.73223 C ? A ? 124 CG1 1
   ATOM 1019 CG2 . ILE A 124 ? -24.52017 -9.77854 -19.56154 1.000 30.17442 C ? A ? 124 CG2 1
   ATOM 1020 CD1 . ILE A 124 ? -26.27376 -12.63005 -19.40221 1.000 37.06582 C ? A ? 124 CD1 1
   ATOM 1021 N . ARG A 125 ? -26.83985 -10.24111 -23.90124 1.000 25.58411 N ? A ? 125 N 1
   ATOM 1022 CA . ARG A 125 ? -27.17272 -10.93867 -25.13570 1.000 28.54948 C ? A ? 125 CA 1
   ATOM 1023 C . ARG A 125 ? -26.02905 -10.80811 -26.13552 1.000 29.97807 C ? A ? 125 C 1
   ATOM 1024 O . ARG A 125 ? -25.40997 -9.74829 -26.26513 1.000 32.85615 O ? A ? 125 O 1
   ATOM 1025 CB . ARG A 125 ? -28.44729 -10.32498 -25.71051 1.000 36.01943 C ? A ? 125 CB 1
   ATOM 1026 CG . ARG A 125 ? -29.19393 -11.17712 -26.70917 1.000 47.96048 C ? A ? 125 CG 1
   ATOM 1027 CD . ARG A 125 ? -30.64147 -10.70188 -26.83482 1.000 51.81089 C ? A ? 125 CD 1
   ATOM 1028 NE . ARG A 125 ? -31.36376 -10.79852 -25.56828 1.000 57.02171 N ? A ? 125 NE 1
   ATOM 1029 CZ . ARG A 125 ? -32.48627 -10.14318 -25.29237 1.000 64.34655 C ? A ? 125 CZ 1
   ATOM 1030 NH1 . ARG A 125 ? -33.04974 -9.33278 -26.17638 1.000 60.35519 N ? A ? 125 NH1 1
   ATOM 1031 NH2 . ARG A 125 ? -33.05244 -10.29574 -24.09594 1.000 49.46483 N ? A ? 125 NH2 1
   ATOM 1032 N . GLY A 126 ? -25.74020 -11.90714 -26.82967 1.000 36.22385 N ? A ? 126 N 1
   ATOM 1033 CA . GLY A 126 ? -24.69086 -11.95244 -27.82273 1.000 31.04437 C ? A ? 126 CA 1
   ATOM 1034 C . GLY A 126 ? -23.29257 -12.13662 -27.28223 1.000 39.52176 C ? A ? 126 C 1
   ATOM 1035 O . GLY A 126 ? -22.34882 -12.25431 -28.08148 1.000 37.00095 O ? A ? 126 O 1
   ATOM 1036 N . CYS A 127 ? -23.11226 -12.17090 -25.96211 1.000 30.94956 N ? A ? 127 N 1
   ATOM 1037 CA . CYS A 127 ? -21.77022 -12.24392 -25.39601 1.000 31.35646 C ? A ? 127 CA 1
   ATOM 1038 C . CYS A 127 ? -21.33978 -13.69219 -25.21417 1.000 38.98496 C ? A ? 127 C 1
   ATOM 1039 O . CYS A 127 ? -22.13544 -14.55170 -24.82038 1.000 31.66355 O ? A ? 127 O 1
   ATOM 1040 CB . CYS A 127 ? -21.68845 -11.53250 -24.04470 1.000 29.57152 C ? A ? 127 CB 1
   ATOM 1041 SG . CYS A 127 ? -22.17514 -9.78974 -24.04772 1.000 31.04794 S ? A ? 127 SG 1
   ATOM 1042 N . ARG A 128 ? -20.06533 -13.95708 -25.47836 1.000 39.00584 N ? A ? 128 N 1
   ATOM 1043 CA . ARG A 128 ? -19.50646 -15.27851 -25.22791 1.000 39.05021 C ? A ? 128 CA 1
   ATOM 1044 C . ARG A 128 ? -19.17034 -15.38030 -23.75141 1.000 37.57614 C ? A ? 128 C 1
   ATOM 1045 O . ARG A 128 ? -18.35942 -14.59791 -23.24453 1.000 54.07645 O ? A ? 128 O 1
   ATOM 1046 CB . ARG A 128 ? -18.24808 -15.51201 -26.06450 1.000 45.58650 C ? A ? 128 CB 1
   ATOM 1047 CG . ARG A 128 ? -18.51541 -16.09792 -27.43566 1.000 50.73931 C ? A ? 128 CG 1
   ATOM 1048 CD . ARG A 128 ? -17.23139 -16.28314 -28.25827 1.000 51.43097 C ? A ? 128 CD 1
   ATOM 1049 NE . ARG A 128 ? -17.35105 -15.67313 -29.58063 1.000 59.55434 N ? A ? 128 NE 1
   ATOM 1050 CZ . ARG A 128 ? -16.65504 -14.62279 -29.99823 1.000 66.44026 C ? A ? 128 CZ 1
   ATOM 1051 NH1 . ARG A 128 ? -15.71141 -14.07729 -29.24928 1.000 63.42493 N ? A ? 128 NH1 1
   ATOM 1052 NH2 . ARG A 128 ? -16.91010 -14.10942 -31.20116 1.000 70.90322 N ? A ? 128 NH2 1
   ATOM 1053 N . LEU A 129 ? -19.80830 -16.31993 -23.06204 1.000 40.93426 N ? A ? 129 N 1
   ATOM 1054 CA . LEU A 129 ? -19.59495 -16.50177 -21.63184 1.000 54.59596 C ? A ? 129 CA 1
   ATOM 1055 C . LEU A 129 ? -19.67052 -17.98142 -21.27840 1.000 57.26312 C ? A ? 129 C 1
   ATOM 1056 O . LEU A 129 ? -19.42124 -18.35925 -20.13834 1.000 58.92325 O ? A ? 129 O 1
   ATOM 1057 CB . LEU A 129 ? -20.64283 -15.72616 -20.82278 1.000 46.59299 C ? A ? 129 CB 1
   ATOM 1058 CG . LEU A 129 ? -20.72832 -14.21246 -20.99434 1.000 46.72782 C ? A ? 129 CG 1
   ATOM 1059 CD1 . LEU A 129 ? -21.95773 -13.69136 -20.29161 1.000 41.25993 C ? A ? 129 CD1 1
   ATOM 1060 CD2 . LEU A 129 ? -19.47260 -13.54197 -20.45358 1.000 34.71091 C ? A ? 129 CD2 1
   HETATM 1061 CL . CL A 201 ? -31.89009 -8.34442 -2.50442 1.000 27.69496 Cl ? B ? . CL 1
   HETATM 1062 CL . CL A 202 ? -28.97327 -11.44454 -16.77754 1.000 40.79121 Cl ? C ? . CL 1
   HETATM 1063 CL . CL A 203 ? -11.77388 11.52338 4.42322 1.000 40.30691 Cl ? D ? . CL 1
   HETATM 1064 NA . NA A 204 ? -14.58580 7.82367 3.23895 1.000 22.94960 Na 1+ E ? . NA 1
   HETATM 1065 O . HOH A 303 ? -26.40116 0.20561 0.76447 0.760 36.59050 O ? F ? . O 1
   HETATM 1066 O . HOH A 307 ? -13.77147 1.28183 -11.75552 0.803 28.63790 O ? F ? . O 1
   HETATM 1068 O . HOH A 309 ? -28.62517 -6.96475 0.67883 0.937 29.71328 O ? F ? . O 1
   HETATM 1069 O . HOH A 310 ? -17.99843 0.71918 -24.43223 0.870 35.62314 O ? F ? . O 1
   HETATM 1070 O . HOH A 311 ? -27.18621 -2.13082 -0.62071 0.868 31.64867 O ? F ? . O 1
   HETATM 1071 O . HOH A 312 ? -24.76840 7.50015 -8.72422 0.696 31.08086 O ? F ? . O 1
   HETATM 1072 O . HOH A 313 ? -35.63858 -7.01189 -13.84436 0.995 40.01853 O ? F ? . O 1
   HETATM 1073 O . HOH A 314 ? -13.31078 11.61793 -13.60998 0.850 18.93193 O ? F ? . O 1
   HETATM 1074 O . HOH A 315 ? -26.19291 7.54467 -13.02363 0.521 22.07928 O ? F ? . O 1
   HETATM 1075 O . HOH A 316 ? -7.53406 4.09999 -15.06397 0.677 35.42650 O ? F ? . O 1
   HETATM 1076 O . HOH A 317 ? -12.04573 -0.60774 -11.76887 0.781 28.29438 O ? F ? . O 1
   HETATM 1077 O . HOH A 319 ? -32.50634 -2.82642 -19.25176 0.741 29.06823 O ? F ? . O 1
   HETATM 1079 O . HOH A 321 ? -15.01469 13.84209 -1.80408 0.874 17.81580 O ? F ? . O 1
   HETATM 1080 O . HOH A 322 ? -12.99977 -4.25558 -0.52697 0.603 24.76549 O ? F ? . O 1
   HETATM 1081 O . HOH A 324 ? -33.64669 -6.70440 -11.95602 0.598 29.33369 O ? F ? . O 1
   HETATM 1082 O . HOH A 327 ? -22.74774 9.13746 -9.81549 0.800 28.89230 O ? F ? . O 1
   HETATM 1083 O . HOH A 328 ? -10.83037 5.59161 -19.09686 0.991 22.51718 O ? F ? . O 1
   HETATM 1084 O . HOH A 331 ? -33.94345 1.52340 -19.07596 0.977 31.42412 O ? F ? . O 1
   HETATM 1085 O . HOH A 332 ? -25.25588 12.49806 2.83272 1.000 41.49360 O ? F ? . O 1
   HETATM 1086 O . HOH A 333 ? -38.52204 0.36150 -6.61477 0.847 34.01311 O ? F ? . O 1
   HETATM 1088 O . HOH A 335 ? -14.63655 14.66517 -9.59304 0.328 25.35932 O ? F ? . O 1
   HETATM 1089 O . HOH A 336 ? -6.98852 3.36933 -17.89025 0.876 33.78395 O ? F ? . O 1
   HETATM 1092 O . HOH A 340 ? -13.01002 9.79828 2.44608 0.853 23.24093 O ? F ? . O 1
   HETATM 1093 O . HOH A 341 ? -16.43316 1.55197 -8.86067 0.975 20.99211 O ? F ? . O 1
   HETATM 1095 O . HOH A 343 ? -21.86093 3.69879 -3.28097 0.826 27.87745 O ? F ? . O 1
   HETATM 1096 O . HOH A 344 ? -20.00288 -15.11609 -11.68023 0.979 31.20144 O ? F ? . O 1
   HETATM 1097 O . HOH A 346 ? -36.30274 1.01211 -13.64417 0.795 24.26076 O ? F ? . O 1
   HETATM 1098 O . HOH A 347 ? -26.30322 5.59900 -6.08507 0.779 30.74850 O ? F ? . O 1
   HETATM 1102 O . HOH A 353 ? -17.69197 8.28854 -17.80614 1.000 28.74914 O ? F ? . O 1
   HETATM 1103 O . HOH A 354 ? -24.25622 -15.28763 -3.53702 0.992 43.71588 O ? F ? . O 1
   HETATM 1104 O . HOH A 356 ? -10.22327 19.15531 -3.18514 0.840 27.35075 O ? F ? . O 1
   HETATM 1105 O . HOH A 357 ? -6.97857 -1.15799 -7.72349 1.000 38.59141 O ? F ? . O 1
   HETATM 1106 O . HOH A 358 ? -8.22382 -3.46986 -8.73643 0.949 29.58344 O ? F ? . O 1
   HETATM 1107 O . HOH A 359 ? -31.93423 -10.70380 -5.02290 1.000 31.63175 O ? F ? . O 1
   HETATM 1108 O . HOH A 361 ? -11.22143 -1.34882 -9.28142 0.954 26.43166 O ? F ? . O 1
   HETATM 1109 O . HOH A 362 ? -12.09110 -3.25470 -2.76983 0.710 35.58428 O ? F ? . O 1
   HETATM 1111 O . HOH A 364 ? -10.26172 2.48484 -23.15404 1.000 41.67138 O ? F ? . O 1
   HETATM 1112 O . HOH A 365 ? -12.75159 12.76217 9.56014 0.516 38.64024 O ? F ? . O 1
   HETATM 1115 O . HOH A 370 ? -14.58493 2.72188 8.41548 1.000 42.68895 O ? F ? . O 1
   HETATM 1116 O . HOH A 371 ? -6.16575 10.32570 2.80708 1.000 34.37571 O ? F ? . O 1
   HETATM 1117 O . HOH A 372 ? -19.13607 16.48477 -10.51364 0.893 33.50754 O ? F ? . O 1
   HETATM 1119 O . HOH A 374 ? -20.37381 -18.10313 -12.36272 1.000 40.04576 O ? F ? . O 1
   HETATM 1120 O . HOH A 375 ? -19.23462 -5.78082 -26.56794 1.000 47.48772 O ? F ? . O 1
   HETATM 1121 O . HOH A 376 ? -28.20211 7.80183 -20.91515 1.000 21.93838 O ? F ? . O 1
   HETATM 1122 O . HOH A 378 ? -25.64992 14.45704 -4.71498 1.000 41.89767 O ? F ? . O 1
   HETATM 1123 O . HOH A 380 ? -16.69734 -6.19988 -25.70286 1.000 35.68035 O ? F ? . O 1
   HETATM 1124 O . HOH A 382 ? -33.17832 4.33866 -19.37756 0.894 23.13823 O ? F ? . O 1
   HETATM 1125 O . HOH A 383 ? -7.18294 2.42761 3.21392 1.000 48.18717 O ? F ? . O 1
   HETATM 1126 O . HOH A 384 ? -12.64748 7.63554 4.67904 0.677 23.66583 O ? F ? . O 1
   HETATM 1128 O . HOH A 386 ? -18.99147 3.30244 -23.38614 0.981 48.81486 O ? F ? . O 1
   HETATM 1131 O . HOH A 391 ? -6.29261 4.82357 2.25535 1.000 45.42054 O ? F ? . O 1
   HETATM 1138 O . HOH A 402 ? -28.23549 -3.94640 -25.07895 1.000 43.99846 O ? F ? . O 1
   HETATM 1146 O . HOH A 411 ? -30.38712 -2.86649 -23.99380 1.000 45.89559 O ? F ? . O 1
   HETATM 1541 O . HOH S 413 ? -11.56102 -1.90848 -23.53144 0.728 33.82983 O ? G ? . O 1
   HETATM 1543 O . HOH S 415 ? -37.51036 -3.96440 -20.58299 0.923 37.85561 O ? G ? . O 1
   HETATM 1552 O . HOH S 424 ? -15.47357 -14.50729 -17.93752 0.605 35.55944 O ? G ? . O 1
   HETATM 1554 O . HOH S 426 ? -9.47873 -15.54132 -12.30901 1.000 52.01538 O ? G ? . O 1
   HETATM 1555 O . HOH S 427 ? -9.07402 -4.69330 -17.50877 0.721 33.19118 O ? G ? . O 1
   HETATM 1558 O . HOH S 430 ? -10.53452 -7.18991 -20.49103 1.000 43.77270 O ? G ? . O 1
   HETATM 1559 O . HOH S 431 ? -33.55852 -9.40294 -12.81987 0.444 25.89769 O ? G ? . O 1
   HETATM 1560 O . HOH S 432 ? -9.72663 5.34881 6.43646 0.715 38.86612 O ? G ? . O 1
   HETATM 1564 O . HOH S 436 ? -39.91843 -0.38206 -9.07856 0.807 44.08198 O ? G ? . O 1
   HETATM 1567 O . HOH S 439 ? -33.66899 -4.19541 -21.72008 0.439 29.08515 O ? G ? . O 1
   HETATM 1569 O . HOH S 441 ? -23.64320 8.77719 -12.99423 0.574 33.26120 O ? G ? . O 1
   HETATM 1577 O . HOH S 449 ? -7.36540 14.38755 5.01333 0.700 38.93452 O ? G ? . O 1
   HETATM 1591 O . HOH S 451 ? -24.22063 9.09707 -5.05645 0.756 41.78675 O ? H ? . O 1
   HETATM 1595 O . HOH S 455 ? -23.80394 4.41622 -0.37703 0.973 48.50680 O ? H ? . O 1
   HETATM 1606 O . HOH S 466 ? -12.13009 6.74955 7.31890 0.640 35.28990 O ? H ? . O 1
   HETATM 1617 O . HOH S 477 ? -17.60855 20.17909 -2.13470 0.752 44.57347 O ? H ? . O 1
   HETATM 1630 O . HOH S 483 ? -32.29092 -14.66266 -7.97020 0.634 36.59187 O ? I ? . O 1
   HETATM 1635 O . HOH S 488 ? -23.80934 2.35768 -4.40487 0.749 39.65943 O ? I ? . O 1
   HETATM 1648 O . HOH S 501 ? -18.25134 15.57402 4.76692 0.643 33.68611 O ? I ? . O 1
   HETATM 1656 O . HOH S 509 ? -32.64734 2.59937 -0.90553 0.638 45.05971 O ? I ? . O 1
   HETATM 1659 O . HOH S 512 ? -19.66136 12.66520 5.88102 0.712 37.60841 O ? I ? . O 1
   HETATM 1663 O . HOH S 513 ? -20.12884 -1.67427 -25.38785 0.915 37.29688 O ? J ? . O 1
   HETATM 1667 O . HOH S 517 ? -17.69723 -12.08100 -25.93999 0.867 38.11162 O ? J ? . O 1
   HETATM 1671 O . HOH S 521 ? -24.60488 1.96181 -0.46859 0.328 31.06481 O ? J ? . O 1
   HETATM 1673 O . HOH S 523 ? -20.78521 13.42631 3.47374 0.510 38.39878 O ? J ? . O 1
   HETATM 1674 O . HOH S 524 ? -28.25689 8.75317 -11.77371 0.517 30.09735 O ? J ? . O 1
   HETATM 1684 O . HOH S 534 ? -27.31177 -4.33917 -27.54107 0.632 38.79620 O ? J ? . O 1
   HETATM 1689 O . HOH S 536 ? -4.86971 1.09205 -13.71371 0.600 28.58328 O ? K ? . O 1
   HETATM 1690 O . HOH S 537 ? -34.04146 -10.36708 -17.46519 0.625 34.46830 O ? K ? . O 1
   HETATM 1693 O . HOH S 540 ? -20.32052 20.92594 -0.66532 0.735 41.88214 O ? K ? . O 1
   HETATM 1694 O . HOH S 541 ? -15.48119 -8.83414 -1.02912 0.388 25.11572 O ? K ? . O 1
   HETATM 1695 O . HOH S 542 ? -18.94997 -2.42462 -27.63498 0.698 48.95972 O ? K ? . O 1
   HETATM 1696 O . HOH S 543 ? -28.40396 -9.54830 1.78926 0.675 36.90621 O ? K ? . O 1
   HETATM 1698 O . HOH S 545 ? -17.93328 -11.87412 -23.23811 0.513 31.52134 O ? K ? . O 1
   HETATM 1702 O . HOH S 549 ? -23.57155 5.52577 -6.52596 0.746 43.08955 O ? K ? . O 1

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

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

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

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

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

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

data_link_SS
loop_
  _chem_link_bond.link_id
  _chem_link_bond.atom_1_comp_id
  _chem_link_bond.atom_id_1
  _chem_link_bond.atom_2_comp_id
  _chem_link_bond.atom_id_2
  _chem_link_bond.type
  _chem_link_bond.value_dist
  _chem_link_bond.value_dist_esd
   SS 1 SG 2 SG single 2.031 0.020

loop_
  _chem_link_angle.link_id
  _chem_link_angle.atom_1_comp_id
  _chem_link_angle.atom_id_1
  _chem_link_angle.atom_2_comp_id
  _chem_link_angle.atom_id_2
  _chem_link_angle.atom_3_comp_id
  _chem_link_angle.atom_id_3
  _chem_link_angle.value_angle
  _chem_link_angle.value_angle_esd
   SS 1 CB 1 SG 2 SG 104.200 2.100
   SS 1 SG 2 SG 2 CB 104.200 2.100

loop_
  _chem_link_tor.link_id
  _chem_link_tor.id
  _chem_link_tor.atom_1_comp_id
  _chem_link_tor.atom_id_1
  _chem_link_tor.atom_2_comp_id
  _chem_link_tor.atom_id_2
  _chem_link_tor.atom_3_comp_id
  _chem_link_tor.atom_id_3
  _chem_link_tor.atom_4_comp_id
  _chem_link_tor.atom_id_4
  _chem_link_tor.value_angle
  _chem_link_tor.alt_value_angle
  _chem_link_tor.value_angle_esd
  _chem_link_tor.period
   SS ss 1 CB 1 SG 2 SG 2 CB 93.0 -86.0 10.0 1
   SS chi2_1 1 CA 1 CB 1 SG 2 SG 79.0 183.0,-73.0 20.0 1
   SS chi2_2 1 SG 2 SG 2 CB 2 CA -79.0 -183.0,73.0 20.0 1

