data_4pdr_qFit
_cell.length_a                    68.042
_cell.length_b                    68.042
_cell.length_c                    89.627
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      414947.348
_space_group.crystal_system       tetragonal
_space_group.IT_number            79
_space_group.name_H-M_alt         'I 4'
_space_group.name_Hall            ' I 4'
_symmetry.space_group_name_H-M    'I 4'
_symmetry.space_group_name_Hall   ' I 4'
_symmetry.Int_Tables_number       79
_reflns.B_iso_Wilson_estimate     30.10
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              28.81
_refine.ls_d_res_high             1.80
_refine.pdbx_ls_sigma_F           1.37
_refine.ls_percent_reflns_obs     99.24
_refine.ls_number_reflns_obs      18777
_refine.ls_number_reflns_R_work   16882
_refine.ls_number_reflns_R_free   1895
_refine.ls_R_factor_obs           0.2002
_refine.ls_R_factor_R_work        0.1960
_refine.ls_R_factor_R_free        0.2364
_refine.ls_percent_reflns_R_free  10.09
_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             0.1884
_refine.pdbx_overall_phase_error  26.1609
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                44.61
_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,x,z
   3 y,-x,z
   4 -x,-y,z
   5 x+1/2,y+1/2,z+1/2
   6 -y+1/2,x+1/2,z+1/2
   7 y+1/2,-x+1/2,z+1/2
   8 -x+1/2,-y+1/2,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 1644 0.0125 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2263 1.1827 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 281 0.0791 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 275 0.0091 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 572 13.7829 ? ?

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' 4.33 28.81 1190 0.1931 96.31 0.2512 141
   'X-RAY DIFFRACTION' 3.44 4.33 1223 0.1801 100.00 0.2002 137
   'X-RAY DIFFRACTION' 3.01 3.44 1214 0.1986 100.00 0.2418 147
   'X-RAY DIFFRACTION' 2.73 3.01 1202 0.2129 100.00 0.2356 148
   'X-RAY DIFFRACTION' 2.54 2.73 1196 0.1704 100.00 0.2135 145
   'X-RAY DIFFRACTION' 2.39 2.54 1232 0.2062 99.93 0.2400 130
   'X-RAY DIFFRACTION' 2.27 2.39 1186 0.1844 100.00 0.2534 138
   'X-RAY DIFFRACTION' 2.17 2.27 1242 0.2025 100.00 0.2323 130
   'X-RAY DIFFRACTION' 2.09 2.17 1192 0.1989 100.00 0.2785 150
   'X-RAY DIFFRACTION' 2.01 2.09 1222 0.2002 100.00 0.2398 115
   'X-RAY DIFFRACTION' 1.95 2.01 1226 0.2098 100.00 0.2517 136
   'X-RAY DIFFRACTION' 1.90 1.95 1223 0.2301 100.00 0.2311 120
   'X-RAY DIFFRACTION' 1.85 1.89 1205 0.2352 99.41 0.2831 137
   'X-RAY DIFFRACTION' 1.80 1.85 1129 0.2629 93.70 0.2631 121

loop_
  _struct_asym.id
   A
   B
   C
   D
   E
   F
   G
   H
   I
   J
   K
   L
   M
   N
   O
   P
   Q
   R
   S
   T
   U

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
   Ba . . 46.69444 9.00985 . . 2.07616 47.04031 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   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.
;
 .
   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.
;
 .
   Na . . 9.38062 1.54875 . . 3.38349 72.32734 . . 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.
;
 .

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   BA
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MPD
   NA
   PHE
   PRO
   SER
   THR
   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 . ASP A 21 ? 5.31594 -18.34867 41.90582 1.000 80.82247 N ? A ? 1 N 1
   ATOM 2 CA . ASP A 21 ? 5.55291 -19.78871 41.82923 1.000 92.01342 C ? A ? 1 CA 1
   ATOM 3 C . ASP A 21 ? 4.28916 -20.50943 41.37411 1.000 95.36321 C ? A ? 1 C 1
   ATOM 4 O . ASP A 21 ? 4.14982 -20.85993 40.20560 1.000 92.61539 O ? A ? 1 O 1
   ATOM 5 CB . ASP A 21 ? 6.01416 -20.34051 43.18004 1.000 104.78694 C ? A ? 1 CB 1
   ATOM 6 CG . ASP A 21 ? 6.43157 -21.79994 43.10332 1.000 98.50677 C ? A ? 1 CG 1
   ATOM 7 OD1 . ASP A 21 ? 7.61514 -22.05944 42.79649 1.000 94.68898 O ? A ? 1 OD1 1
   ATOM 8 OD2 . ASP A 21 ? 5.57691 -22.68420 43.34071 1.000 91.39927 O ? A ? 1 OD2 1
   ATOM 9 N . LYS A 22 ? 3.37121 -20.75225 42.31173 1.000 102.00921 N ? A ? 2 N 1
   ATOM 10 CA . LYS A 22 ? 2.02732 -21.15461 41.91633 1.000 98.12279 C ? A ? 2 CA 1
   ATOM 11 C . LYS A 22 ? 1.35061 -20.05665 41.10479 1.000 88.29530 C ? A ? 2 C 1
   ATOM 12 O . LYS A 22 ? 0.58346 -20.35040 40.18200 1.000 80.73165 O ? A ? 2 O 1
   ATOM 13 CB . LYS A 22 ? 1.20108 -21.50344 43.15494 1.000 106.61842 C ? A ? 2 CB 1
   ATOM 14 CG . LYS A 22 ? -0.31311 -21.46022 42.95771 1.000 111.84668 C ? A ? 2 CG 1
   ATOM 15 CD . LYS A 22 ? -0.82209 -22.64180 42.14296 1.000 111.06500 C ? A ? 2 CD 1
   ATOM 16 CE . LYS A 22 ? -2.34446 -22.75878 42.23414 1.000 107.29087 C ? A ? 2 CE 1
   ATOM 17 NZ . LYS A 22 ? -2.87523 -24.02012 41.61853 1.000 107.18794 N ? A ? 2 NZ 1
   ATOM 18 N . GLU A 23 ? 1.64281 -18.79025 41.41935 1.000 91.72749 N ? A ? 3 N 1
   ATOM 19 CA . GLU A 23 ? 1.06909 -17.67431 40.67338 1.000 85.89531 C ? A ? 3 CA 1
   ATOM 20 C . GLU A 23 ? 1.49798 -17.72169 39.21222 1.000 73.96849 C ? A ? 3 C 1
   ATOM 21 O . GLU A 23 ? 0.65686 -17.83699 38.31238 1.000 59.38126 O ? A ? 3 O 1
   ATOM 22 CB . GLU A 23 ? 1.47397 -16.34959 41.32318 1.000 90.18217 C ? A ? 3 CB 1
   ATOM 23 CG . GLU A 23 ? 0.59025 -15.16378 40.94276 1.000 94.51059 C ? A ? 3 CG 1
   ATOM 24 CD . GLU A 23 ? 0.72377 -13.99219 41.90892 1.000 109.30583 C ? A ? 3 CD 1
   ATOM 25 OE1 . GLU A 23 ? 1.79874 -13.85029 42.53186 1.000 117.32127 O ? A ? 3 OE1 1
   ATOM 26 OE2 . GLU A 23 ? -0.24891 -13.21613 42.05127 1.000 111.05563 O ? A ? 3 OE2 1
   ATOM 27 N . PHE A 24 ? 2.81347 -17.65422 38.96550 1.000 64.84391 N ? A ? 4 N 1
   ATOM 28 CA . PHE A 24 ? 3.34315 -17.77618 37.60914 1.000 68.06738 C ? A ? 4 CA 1
   ATOM 29 C . PHE A 24 ? 2.76166 -18.98685 36.89142 1.000 65.90241 C ? A ? 4 C 1
   ATOM 30 O . PHE A 24 ? 2.39704 -18.90793 35.71459 1.000 62.02257 O ? A ? 4 O 1
   ATOM 31 CB . PHE A 24 ? 4.87350 -17.87240 37.63090 1.000 63.05431 C ? A ? 4 CB 1
   ATOM 32 CG . PHE A 24 ? 5.49689 -18.26479 36.28482 1.000 68.01872 C ? A ? 4 CG 1
   ATOM 33 CD1 . PHE A 24 ? 6.08164 -17.30458 35.46717 1.000 69.34865 C ? A ? 4 CD1 1
   ATOM 34 CD2 . PHE A 24 ? 5.51058 -19.59737 35.85080 1.000 70.57003 C ? A ? 4 CD2 1
   ATOM 35 CE1 . PHE A 24 ? 6.65607 -17.66206 34.24291 1.000 52.09157 C ? A ? 4 CE1 1
   ATOM 36 CE2 . PHE A 24 ? 6.06902 -19.95484 34.63503 1.000 73.03697 C ? A ? 4 CE2 1
   ATOM 37 CZ . PHE A 24 ? 6.64788 -18.98863 33.83455 1.000 69.94897 C ? A ? 4 CZ 1
   ATOM 38 N . GLN A 25 ? 2.69368 -20.12922 37.57369 1.000 59.71719 N ? A ? 5 N 1
   ATOM 39 CA . GLN A 25 ? 2.27646 -21.34017 36.88000 1.000 64.61480 C ? A ? 5 CA 1
   ATOM 40 C . GLN A 25 ? 0.84588 -21.22657 36.35948 1.000 59.74153 C ? A ? 5 C 1
   ATOM 41 O . GLN A 25 ? 0.56155 -21.63823 35.23213 1.000 55.23720 O ? A ? 5 O 1
   ATOM 42 CB . GLN A 25 ? 2.41490 -22.55248 37.78756 1.000 75.51271 C ? A ? 5 CB 1
   ATOM 43 CG . GLN A 25 ? 2.38666 -23.85538 37.01386 1.000 87.82437 C ? A ? 5 CG 1
   ATOM 44 CD . GLN A 25 ? 3.73171 -24.54345 37.00596 1.000 110.62279 C ? A ? 5 CD 1
   ATOM 45 OE1 . GLN A 25 ? 4.26365 -24.89930 38.05924 1.000 121.13568 O ? A ? 5 OE1 1
   ATOM 46 NE2 . GLN A 25 ? 4.29744 -24.72764 35.81633 1.000 117.40926 N ? A ? 5 NE2 1
   ATOM 47 N . VAL A 26 ? -0.07478 -20.67696 37.15691 1.000 55.00524 N ? A ? 6 N 1
   ATOM 48 CA . VAL A 26 ? -1.44683 -20.56482 36.66192 1.000 58.90040 C ? A ? 6 CA 1
   ATOM 49 C . VAL A 26 ? -1.52726 -19.54255 35.53469 1.000 53.29928 C ? A ? 6 C 1
   ATOM 50 O . VAL A 26 ? -2.21751 -19.75869 34.53408 1.000 59.18067 O ? A ? 6 O 1
   ATOM 51 CB . VAL A 26 ? -2.41848 -20.20971 37.79940 1.000 55.25627 C ? A ? 6 CB 1
   ATOM 52 CG1 . VAL A 26 ? -3.84198 -20.11461 37.26542 1.000 50.13171 C ? A ? 6 CG1 1
   ATOM 53 CG2 . VAL A 26 ? -2.33222 -21.23451 38.91645 1.000 69.95186 C ? A ? 6 CG2 1
   ATOM 54 N . LEU A 27 ? -0.83514 -18.41018 35.68098 1.000 48.45717 N ? A ? 7 N 1
   ATOM 55 CA . LEU A 27 ? -0.93704 -17.35550 34.67148 1.000 53.81648 C ? A ? 7 CA 1
   ATOM 56 C . LEU A 27 ? -0.32660 -17.80063 33.35699 1.000 51.28339 C ? A ? 7 C 1
   ATOM 57 O . LEU A 27 ? -0.83464 -17.46201 32.27937 1.000 45.09330 O ? A ? 7 O 1
   ATOM 58 CB . LEU A 27 ? -0.25873 -16.07918 35.16006 1.000 50.03158 C ? A ? 7 CB 1
   ATOM 59 CG . LEU A 27 ? -0.92489 -15.39023 36.35264 1.000 66.44639 C ? A ? 7 CG 1
   ATOM 60 CD1 . LEU A 27 ? -0.01550 -14.31857 36.93420 1.000 60.96490 C ? A ? 7 CD1 1
   ATOM 61 CD2 . LEU A 27 ? -2.27908 -14.80295 35.96184 1.000 50.43997 C ? A ? 7 CD2 1
   ATOM 62 N . PHE A 28 ? 0.77404 -18.54749 33.42721 1.000 44.90842 N ? A ? 8 N 1
   ATOM 63 CA . PHE A 28 ? 1.32247 -19.15616 32.22595 1.000 56.27873 C ? A ? 8 CA 1
   ATOM 64 C . PHE A 28 ? 0.27402 -20.00715 31.51884 1.000 55.07201 C ? A ? 8 C 1
   ATOM 65 O . PHE A 28 ? 0.02431 -19.83835 30.31869 1.000 48.17532 O ? A ? 8 O 1
   ATOM 66 CB . PHE A 28 ? 2.54712 -19.97204 32.60289 1.000 53.28999 C ? A ? 8 CB 1
   ATOM 67 CG . PHE A 28 ? 3.01859 -20.88461 31.53276 1.000 69.54690 C ? A ? 8 CG 1
   ATOM 68 CD1 . PHE A 28 ? 3.73977 -20.39903 30.45252 1.000 61.40155 C ? A ? 8 CD1 1
   ATOM 69 CD2 . PHE A 28 ? 2.77233 -22.24632 31.62322 1.000 71.61455 C ? A ? 8 CD2 1
   ATOM 70 CE1 . PHE A 28 ? 4.19477 -21.26080 29.47225 1.000 76.97739 C ? A ? 8 CE1 1
   ATOM 71 CE2 . PHE A 28 ? 3.21874 -23.11045 30.65426 1.000 77.11485 C ? A ? 8 CE2 1
   ATOM 72 CZ . PHE A 28 ? 3.92998 -22.62097 29.57138 1.000 85.81840 C ? A ? 8 CZ 1
   ATOM 73 N . VAL A 29 ? -0.39073 -20.89860 32.25935 1.000 50.05427 N ? A ? 9 N 1
   ATOM 74 CA . VAL A 29 ? -1.36325 -21.79391 31.63142 1.000 50.45575 C ? A ? 9 CA 1
   ATOM 75 C . VAL A 29 ? -2.53295 -21.00373 31.06007 1.000 44.72001 C ? A ? 9 C 1
   ATOM 76 O . VAL A 29 ? -2.96971 -21.24076 29.93063 1.000 45.41641 O ? A ? 9 O 1
   ATOM 77 CB . VAL A 29 ? -1.84017 -22.86492 32.62708 1.000 47.30945 C ? A ? 9 CB 1
   ATOM 78 CG1 . VAL A 29 ? -2.94584 -23.68439 32.00765 1.000 52.70609 C ? A ? 9 CG1 1
   ATOM 79 CG2 . VAL A 29 ? -0.66345 -23.74019 33.02946 1.000 50.90607 C ? A ? 9 CG2 1
   ATOM 80 N . LEU A 30 ? -3.06386 -20.05165 31.82910 1.000 41.01080 N ? A ? 10 N 1
   ATOM 81 CA . LEU A 30 ? -4.20268 -19.28155 31.34136 1.000 36.46390 C ? A ? 10 CA 1
   ATOM 82 C . LEU A 30 ? -3.83391 -18.46833 30.09270 1.000 41.56273 C ? A ? 10 C 1
   ATOM 83 O . LEU A 30 ? -4.65078 -18.30470 29.17113 1.000 37.36458 O ? A ? 10 O 1
   ATOM 84 CB . LEU A 30 ? -4.70846 -18.35967 32.44474 1.000 49.75387 C ? A ? 10 CB 1
   ATOM 85 CG . LEU A 30 ? -5.61166 -19.01014 33.48467 1.000 52.79221 C ? A ? 10 CG 1
   ATOM 86 CD1 . LEU A 30 ? -5.60396 -18.17305 34.71351 1.000 55.27093 C ? A ? 10 CD1 1
   ATOM 87 CD2 . LEU A 30 ? -7.00326 -19.08682 32.91648 1.000 44.60522 C ? A ? 10 CD2 1
   ATOM 88 N . THR A 31 ? -2.60866 -17.94749 30.04793 1.000 43.63667 N ? A ? 11 N 1
   ATOM 89 CA . THR A 31 ? -2.19035 -17.20478 28.85988 1.000 44.80360 C ? A ? 11 CA 1
   ATOM 90 C . THR A 31 ? -2.04239 -18.14267 27.67072 1.000 43.28857 C ? A ? 11 C 1
   ATOM 91 O . THR A 31 ? -2.44474 -17.81106 26.56011 1.000 30.28592 O ? A ? 11 O 1
   ATOM 92 CB . THR A 31 ? -0.89991 -16.43870 29.15825 1.000 45.01656 C ? A ? 11 CB 1
   ATOM 93 OG1 . THR A 31 ? -1.16904 -15.42860 30.15102 1.000 49.61931 O ? A ? 11 OG1 1
   ATOM 94 CG2 . THR A 31 ? -0.33975 -15.77864 27.90702 1.000 40.96141 C ? A ? 11 CG2 1
   ATOM 95 N . ILE A 32 ? -1.51746 -19.34578 27.88939 1.000 42.01388 N ? A ? 12 N 1
   ATOM 96 CA . ILE A 32 ? -1.42379 -20.31417 26.79702 1.000 43.30029 C ? A ? 12 CA 1
   ATOM 97 C . ILE A 32 ? -2.80145 -20.63350 26.23766 1.000 40.25030 C ? A ? 12 C 1
   ATOM 98 O . ILE A 32 ? -3.01315 -20.65105 25.01903 1.000 35.00334 O ? A ? 12 O 1
   ATOM 99 CB . ILE A 32 ? -0.70675 -21.58949 27.27530 1.000 41.87510 C ? A ? 12 CB 1
   ATOM 100 CG1 . ILE A 32 ? 0.72336 -21.26258 27.67729 1.000 51.17988 C ? A ? 12 CG1 1
   ATOM 101 CG2 . ILE A 32 ? -0.82552 -22.69757 26.22071 1.000 36.96328 C ? A ? 12 CG2 1
   ATOM 102 CD1 . ILE A 32 ? 1.48348 -20.48335 26.65490 1.000 48.80321 C ? A ? 12 CD1 1
   ATOM 103 N . LEU A 33 ? -3.76863 -20.90094 27.11044 1.000 36.93756 N ? A ? 13 N 1
   ATOM 104 CA . LEU A 33 ? -5.09015 -21.22596 26.59789 1.000 35.52218 C ? A ? 13 CA 1
   ATOM 105 C . LEU A 33 ? -5.66644 -20.07115 25.78798 1.000 29.70073 C ? A ? 13 C 1
   ATOM 106 O . LEU A 33 ? -6.34923 -20.28619 24.78260 1.000 33.77285 O ? A ? 13 O 1
   ATOM 107 CB . LEU A 33 ? -6.03393 -21.58820 27.75176 1.000 47.26880 C ? A ? 13 CB 1
   ATOM 108 CG . LEU A 33 ? -5.88943 -23.01673 28.28463 1.000 49.83082 C ? A ? 13 CG 1
   ATOM 109 CD1 . LEU A 33 ? -6.85041 -23.19708 29.44902 1.000 57.40855 C ? A ? 13 CD1 1
   ATOM 110 CD2 . LEU A 33 ? -6.17305 -24.04449 27.17482 1.000 46.62238 C ? A ? 13 CD2 1
   ATOM 111 N . THR A 34 ? -5.40734 -18.82464 26.22407 1.000 31.75402 N ? A ? 14 N 1
   ATOM 112 CA . THR A 34 ? -5.95856 -17.67740 25.50955 1.000 30.17393 C ? A ? 14 CA 1
   ATOM 113 C . THR A 34 ? -5.35271 -17.58457 24.10706 1.000 24.17242 C ? A ? 14 C 1
   ATOM 114 O . THR A 34 ? -6.07008 -17.28923 23.13004 1.000 27.97786 O ? A ? 14 O 1
   ATOM 115 CB . THR A 34 ? -5.69277 -16.38394 26.30066 1.000 34.67071 C ? A ? 14 CB 1
   ATOM 116 OG1 . THR A 34 ? -6.29506 -16.46485 27.60150 1.000 41.89639 O ? A ? 14 OG1 1
   ATOM 117 CG2 . THR A 34 ? -6.30456 -15.14468 25.55796 1.000 32.93383 C ? A ? 14 CG2 1
   ATOM 118 N . LEU A 35 ? -4.02290 -17.80526 24.00504 1.000 29.90127 N ? A ? 15 N 1
   ATOM 119 CA . LEU A 35 ? -3.34714 -17.73559 22.69784 1.000 24.87374 C ? A ? 15 CA 1
   ATOM 120 C . LEU A 35 ? -3.72071 -18.90488 21.82970 1.000 31.07047 C ? A ? 15 C 1
   ATOM 121 O . LEU A 35 ? -3.83460 -18.74409 20.62725 1.000 26.73060 O ? A ? 15 O 1
   ATOM 122 CB . LEU A 35 ? -1.81357 -17.65473 22.84766 1.000 30.67076 C ? A ? 15 CB 1
   ATOM 123 CG . LEU A 35 ? -1.33748 -16.46599 23.72458 1.000 31.55684 C ? A ? 15 CG 1
   ATOM 124 CD1 . LEU A 35 ? 0.17930 -16.42107 24.01828 1.000 33.17755 C ? A ? 15 CD1 1
   ATOM 125 CD2 . LEU A 35 ? -1.72419 -15.16529 22.97822 1.000 26.91214 C ? A ? 15 CD2 1
   ATOM 126 N . ILE A 36 ? -3.98110 -20.07616 22.41043 1.000 31.40630 N ? A ? 16 N 1
   ATOM 127 CA . ILE A 36 ? -4.52030 -21.15867 21.58971 1.000 30.50378 C ? A ? 16 CA 1
   ATOM 128 C . ILE A 36 ? -5.87673 -20.78998 20.99381 1.000 28.25396 C ? A ? 16 C 1
   ATOM 129 O . ILE A 36 ? -6.14191 -21.06923 19.81743 1.000 26.93732 O ? A ? 16 O 1
   ATOM 130 CB . ILE A 36 ? -4.60100 -22.46180 22.41387 1.000 32.90005 C ? A ? 16 CB 1
   ATOM 131 CG1 . ILE A 36 ? -3.19553 -22.94229 22.75935 1.000 39.21678 C ? A ? 16 CG1 1
   ATOM 132 CG2 . ILE A 36 ? -5.45810 -23.47445 21.69641 1.000 36.27085 C ? A ? 16 CG2 1
   ATOM 133 CD1 . ILE A 36 ? -3.16472 -24.31200 23.47169 1.000 40.46675 C ? A ? 16 CD1 1
   ATOM 134 N B SER A 37 ? -6.76912 -20.21140 21.80269 0.248 26.11038 N ? A ? 17 N 1
   ATOM 135 CA B SER A 37 ? -8.07613 -19.83809 21.28475 0.248 27.94126 C ? A ? 17 CA 1
   ATOM 136 C B SER A 37 ? -7.94791 -18.75536 20.22369 0.248 27.13817 C ? A ? 17 C 1
   ATOM 137 O B SER A 37 ? -8.79155 -18.66110 19.32806 0.248 27.47647 O ? A ? 17 O 1
   ATOM 138 CB B SER A 37 ? -8.98897 -19.40258 22.43277 0.248 30.35188 C ? A ? 17 CB 1
   ATOM 139 OG B SER A 37 ? -9.32584 -20.52373 23.23930 0.248 22.33920 O ? A ? 17 OG 1
   ATOM 140 N C SER A 37 ? -6.76827 -20.14011 21.76672 0.752 25.95870 N ? A ? 17 N 1
   ATOM 141 CA C SER A 37 ? -8.07348 -19.81834 21.20590 0.752 28.01660 C ? A ? 17 CA 1
   ATOM 142 C C SER A 37 ? -7.94439 -18.83601 20.03938 0.752 26.76392 C ? A ? 17 C 1
   ATOM 143 O C SER A 37 ? -8.62548 -18.97498 19.01288 0.752 28.11408 O ? A ? 17 O 1
   ATOM 144 CB C SER A 37 ? -9.01238 -19.23203 22.25733 0.752 30.92317 C ? A ? 17 CB 1
   ATOM 145 OG C SER A 37 ? -10.23118 -18.90480 21.60067 0.752 42.31914 O ? A ? 17 OG 1
   ATOM 146 N B GLY A 38 ? -6.87355 -17.96512 20.28240 0.248 25.55241 N ? A ? 18 N 1
   ATOM 147 CA B GLY A 38 ? -6.59059 -17.03075 19.20912 0.248 24.47223 C ? A ? 18 CA 1
   ATOM 148 C B GLY A 38 ? -5.93969 -17.67012 18.00282 0.248 23.98445 C ? A ? 18 C 1
   ATOM 149 O B GLY A 38 ? -6.16134 -17.22808 16.87575 0.248 23.76438 O ? A ? 18 O 1
   ATOM 150 N C GLY A 38 ? -7.05402 -17.85000 20.16919 0.752 26.30852 N ? A ? 18 N 1
   ATOM 151 CA C GLY A 38 ? -6.90570 -16.88881 19.08551 0.752 23.53403 C ? A ? 18 CA 1
   ATOM 152 C C GLY A 38 ? -6.28616 -17.53323 17.86379 0.752 21.78960 C ? A ? 18 C 1
   ATOM 153 O C GLY A 38 ? -6.74044 -17.29691 16.74753 0.752 25.63070 O ? A ? 18 O 1
   ATOM 154 N B THR A 39 ? -5.14096 -18.71515 18.20604 0.248 25.03403 N ? A ? 19 N 1
   ATOM 155 CA B THR A 39 ? -4.50398 -19.33801 17.05219 0.248 26.59052 C ? A ? 19 CA 1
   ATOM 156 C B THR A 39 ? -5.44201 -20.27735 16.30681 0.248 26.22921 C ? A ? 19 C 1
   ATOM 157 O B THR A 39 ? -5.11262 -20.69630 15.19025 0.248 29.53936 O ? A ? 19 O 1
   ATOM 158 CB B THR A 39 ? -3.23388 -20.07669 17.47960 0.248 27.39998 C ? A ? 19 CB 1
   ATOM 159 OG1 B THR A 39 ? -2.30798 -20.10790 16.38500 0.248 28.30890 O ? A ? 19 OG1 1
   ATOM 160 CG2 B THR A 39 ? -3.55389 -21.49658 17.90299 0.248 26.22772 C ? A ? 19 CG2 1
   ATOM 161 N C THR A 39 ? -5.32055 -18.43697 18.08026 0.752 24.09873 N ? A ? 19 N 1
   ATOM 162 CA C THR A 39 ? -4.68779 -19.14341 16.96656 0.752 26.23738 C ? A ? 19 CA 1
   ATOM 163 C C THR A 39 ? -5.73459 -19.88596 16.18272 0.752 24.44673 C ? A ? 19 C 1
   ATOM 164 O C THR A 39 ? -5.82000 -19.77699 14.96017 0.752 23.94285 O ? A ? 19 O 1
   ATOM 165 CB C THR A 39 ? -3.61900 -20.11195 17.47941 0.752 27.99034 C ? A ? 19 CB 1
   ATOM 166 OG1 C THR A 39 ? -2.62222 -19.41054 18.24692 0.752 26.53097 O ? A ? 19 OG1 1
   ATOM 167 CG2 C THR A 39 ? -2.97041 -20.92070 16.30324 0.752 23.54870 C ? A ? 19 CG2 1
   ATOM 168 N . ILE A 40 ? -6.59464 -20.60761 16.89192 1.000 29.37862 N ? A ? 20 N 1
   ATOM 169 CA . ILE A 40 ? -7.60768 -21.38641 16.21057 1.000 26.61073 C ? A ? 20 CA 1
   ATOM 170 C . ILE A 40 ? -8.58359 -20.47404 15.52818 1.000 27.85734 C ? A ? 20 C 1
   ATOM 171 O . ILE A 40 ? -8.90905 -20.68127 14.37828 1.000 25.89892 O ? A ? 20 O 1
   ATOM 172 CB . ILE A 40 ? -8.32751 -22.32920 17.19675 1.000 31.95406 C ? A ? 20 CB 1
   ATOM 173 CG1 . ILE A 40 ? -7.33406 -23.38377 17.68219 1.000 34.43982 C ? A ? 20 CG1 1
   ATOM 174 CG2 . ILE A 40 ? -9.62129 -22.84528 16.54905 1.000 28.63552 C ? A ? 20 CG2 1
   ATOM 175 CD1 . ILE A 40 ? -7.86700 -24.28376 18.82163 1.000 38.52176 C ? A ? 20 CD1 1
   ATOM 176 N . PHE A 41 ? -9.02020 -19.41226 16.19944 1.000 25.78967 N ? A ? 21 N 1
   ATOM 177 CA . PHE A 41 ? -10.00184 -18.53763 15.57530 1.000 27.36840 C ? A ? 21 CA 1
   ATOM 178 C . PHE A 41 ? -9.47032 -17.86382 14.31781 1.000 24.68564 C ? A ? 21 C 1
   ATOM 179 O . PHE A 41 ? -10.15771 -17.84015 13.28884 1.000 25.41343 O ? A ? 21 O 1
   ATOM 180 CB . PHE A 41 ? -10.47836 -17.46772 16.53830 1.000 26.43072 C ? A ? 21 CB 1
   ATOM 181 CG . PHE A 41 ? -11.46084 -16.54622 15.90801 1.000 27.87729 C ? A ? 21 CG 1
   ATOM 182 CD1 . PHE A 41 ? -12.81241 -16.85420 15.90234 1.000 27.61521 C ? A ? 21 CD1 1
   ATOM 183 CD2 . PHE A 41 ? -11.05020 -15.37061 15.30214 1.000 26.72514 C ? A ? 21 CD2 1
   ATOM 184 CE1 . PHE A 41 ? -13.70337 -16.01443 15.28932 1.000 27.59445 C ? A ? 21 CE1 1
   ATOM 185 CE2 . PHE A 41 ? -11.94214 -14.53068 14.70689 1.000 27.86549 C ? A ? 21 CE2 1
   ATOM 186 CZ . PHE A 41 ? -13.28687 -14.84953 14.71470 1.000 26.22738 C ? A ? 21 CZ 1
   ATOM 187 N . TYR A 42 ? -8.30067 -17.17099 14.41022 1.000 22.83280 N ? A ? 22 N 1
   ATOM 188 CA . TYR A 42 ? -7.85506 -16.40757 13.24718 1.000 24.11142 C ? A ? 22 CA 1
   ATOM 189 C . TYR A 42 ? -7.37537 -17.31167 12.11322 1.000 23.16171 C ? A ? 22 C 1
   ATOM 190 O . TYR A 42 ? -7.47449 -16.92131 10.94289 1.000 26.42149 O ? A ? 22 O 1
   ATOM 191 CB . TYR A 42 ? -6.73077 -15.43699 13.62640 1.000 25.43999 C ? A ? 22 CB 1
   ATOM 192 CG . TYR A 42 ? -7.23042 -14.35629 14.57622 1.000 27.72939 C ? A ? 22 CG 1
   ATOM 193 CD1 . TYR A 42 ? -8.13601 -13.41913 14.15940 1.000 24.13468 C ? A ? 22 CD1 1
   ATOM 194 CD2 . TYR A 42 ? -6.80943 -14.32983 15.89479 1.000 23.68253 C ? A ? 22 CD2 1
   ATOM 195 CE1 . TYR A 42 ? -8.64411 -12.43448 15.08598 1.000 25.67710 C ? A ? 22 CE1 1
   ATOM 196 CE2 . TYR A 42 ? -7.26385 -13.34950 16.80441 1.000 31.97008 C ? A ? 22 CE2 1
   ATOM 197 CZ . TYR A 42 ? -8.17707 -12.41192 16.37994 1.000 25.78045 C ? A ? 22 CZ 1
   ATOM 198 OH . TYR A 42 ? -8.62343 -11.42847 17.30227 1.000 26.09321 O ? A ? 22 OH 1
   ATOM 199 N A SER A 43 ? -6.88735 -18.51388 12.43886 0.517 25.01063 N ? A ? 23 N 1
   ATOM 200 CA A SER A 43 ? -6.50996 -19.43326 11.36108 0.517 29.62402 C ? A ? 23 CA 1
   ATOM 201 C A SER A 43 ? -7.72941 -20.05401 10.66367 0.517 30.71916 C ? A ? 23 C 1
   ATOM 202 O A SER A 43 ? -7.59196 -20.52162 9.52724 0.517 32.45252 O ? A ? 23 O 1
   ATOM 203 CB A SER A 43 ? -5.54416 -20.51103 11.89582 0.517 29.27236 C ? A ? 23 CB 1
   ATOM 204 OG A SER A 43 ? -6.14687 -21.41608 12.83093 0.517 27.07851 O ? A ? 23 OG 1
   ATOM 205 N B SER A 43 ? -6.84187 -18.49537 12.40768 0.483 25.03982 N ? A ? 23 N 1
   ATOM 206 CA B SER A 43 ? -6.57588 -19.43928 11.31299 0.483 29.60277 C ? A ? 23 CA 1
   ATOM 207 C B SER A 43 ? -7.86374 -19.73844 10.54644 0.483 30.05429 C ? A ? 23 C 1
   ATOM 208 O B SER A 43 ? -7.92237 -19.68845 9.30604 0.483 23.79936 O ? A ? 23 O 1
   ATOM 209 CB B SER A 43 ? -5.98462 -20.72830 11.88527 0.483 30.01026 C ? A ? 23 CB 1
   ATOM 210 OG B SER A 43 ? -4.94397 -21.26555 11.09263 0.483 36.94574 O ? A ? 23 OG 1
   ATOM 211 N . THR A 44 ? -8.92365 -20.04199 11.28199 1.000 25.65429 N ? A ? 24 N 1
   ATOM 212 CA . THR A 44 ? -10.14797 -20.53492 10.61816 1.000 28.00207 C ? A ? 24 CA 1
   ATOM 213 C . THR A 44 ? -10.96065 -19.43957 9.95251 1.000 28.97114 C ? A ? 24 C 1
   ATOM 214 O . THR A 44 ? -11.24601 -19.51210 8.75426 1.000 36.08387 O ? A ? 24 O 1
   ATOM 215 CB . THR A 44 ? -11.03018 -21.26648 11.62315 1.000 31.37831 C ? A ? 24 CB 1
   ATOM 216 OG1 . THR A 44 ? -10.29580 -22.34825 12.17635 1.000 33.33465 O ? A ? 24 OG1 1
   ATOM 217 CG2 . THR A 44 ? -12.32028 -21.78300 10.95279 1.000 42.91066 C ? A ? 24 CG2 1
   ATOM 218 N A VAL A 45 ? -11.39107 -18.43124 10.72747 0.329 28.40149 N ? A ? 25 N 1
   ATOM 219 CA A VAL A 45 ? -12.23090 -17.37015 10.17601 0.329 25.49099 C ? A ? 25 CA 1
   ATOM 220 C A VAL A 45 ? -11.42961 -16.48398 9.24223 0.329 30.13203 C ? A ? 25 C 1
   ATOM 221 O A VAL A 45 ? -11.86347 -16.18360 8.12801 0.329 29.35305 O ? A ? 25 O 1
   ATOM 222 CB A VAL A 45 ? -12.88081 -16.53124 11.29382 0.329 30.38003 C ? A ? 25 CB 1
   ATOM 223 CG1 A VAL A 45 ? -13.34683 -15.16118 10.72771 0.329 26.01599 C ? A ? 25 CG1 1
   ATOM 224 CG2 A VAL A 45 ? -14.04707 -17.28146 11.91433 0.329 26.62701 C ? A ? 25 CG2 1
   ATOM 225 N B VAL A 45 ? -11.33724 -18.40884 10.72109 0.671 28.40913 N ? A ? 25 N 1
   ATOM 226 CA B VAL A 45 ? -12.24108 -17.37054 10.26245 0.671 25.34967 C ? A ? 25 CA 1
   ATOM 227 C B VAL A 45 ? -11.53032 -16.33828 9.40060 0.671 30.46377 C ? A ? 25 C 1
   ATOM 228 O B VAL A 45 ? -12.11815 -15.81231 8.45850 0.671 27.36051 O ? A ? 25 O 1
   ATOM 229 CB B VAL A 45 ? -12.92921 -16.74566 11.49808 0.671 30.47301 C ? A ? 25 CB 1
   ATOM 230 CG1 B VAL A 45 ? -13.92057 -15.64355 11.10029 0.671 27.67267 C ? A ? 25 CG1 1
   ATOM 231 CG2 B VAL A 45 ? -13.63950 -17.84499 12.28931 0.671 27.36365 C ? A ? 25 CG2 1
   ATOM 232 N . GLU A 46 ? -10.26040 -16.02630 9.69062 1.000 28.24084 N ? A ? 26 N 1
   ATOM 233 CA . GLU A 46 ? -9.50368 -15.05871 8.90087 1.000 28.88369 C ? A ? 26 CA 1
   ATOM 234 C . GLU A 46 ? -8.53759 -15.71792 7.92182 1.000 34.74136 C ? A ? 26 C 1
   ATOM 235 O . GLU A 46 ? -7.92180 -15.01655 7.09079 1.000 26.36505 O ? A ? 26 O 1
   ATOM 236 CB . GLU A 46 ? -8.74130 -14.10551 9.82674 1.000 32.26912 C ? A ? 26 CB 1
   ATOM 237 CG . GLU A 46 ? -9.68194 -13.13099 10.58159 1.000 27.50621 C ? A ? 26 CG 1
   ATOM 238 CD . GLU A 46 ? -10.37756 -12.11985 9.66074 1.000 29.91066 C ? A ? 26 CD 1
   ATOM 239 OE1 . GLU A 46 ? -9.80290 -11.71776 8.63189 1.000 27.83904 O ? A ? 26 OE1 1
   ATOM 240 OE2 . GLU A 46 ? -11.50133 -11.66596 9.96374 1.000 26.57181 O ? A ? 26 OE2 1
   ATOM 241 N . GLY A 47 ? -8.40185 -17.03207 8.00225 1.000 29.03681 N ? A ? 27 N 1
   ATOM 242 CA . GLY A 47 ? -7.64118 -17.72584 6.98382 1.000 38.92048 C ? A ? 27 CA 1
   ATOM 243 C . GLY A 47 ? -6.14973 -17.59853 7.17178 1.000 40.22647 C ? A ? 27 C 1
   ATOM 244 O . GLY A 47 ? -5.39516 -17.79165 6.20339 1.000 33.96083 O ? A ? 27 O 1
   ATOM 245 N . LEU A 48 ? -5.68988 -17.24108 8.37644 1.000 29.59693 N ? A ? 28 N 1
   ATOM 246 CA . LEU A 48 ? -4.24166 -17.07782 8.55017 1.000 24.58511 C ? A ? 28 CA 1
   ATOM 247 C . LEU A 48 ? -3.56675 -18.43960 8.72084 1.000 30.59477 C ? A ? 28 C 1
   ATOM 248 O . LEU A 48 ? -4.14817 -19.38182 9.25455 1.000 29.82962 O ? A ? 28 O 1
   ATOM 249 CB . LEU A 48 ? -3.89645 -16.24765 9.77199 1.000 22.82310 C ? A ? 28 CB 1
   ATOM 250 CG . LEU A 48 ? -4.56492 -14.87460 9.86542 1.000 29.16300 C ? A ? 28 CG 1
   ATOM 251 CD1 . LEU A 48 ? -3.89916 -14.11416 11.05243 1.000 27.21519 C ? A ? 28 CD1 1
   ATOM 252 CD2 . LEU A 48 ? -4.44249 -14.11602 8.55530 1.000 35.74711 C ? A ? 28 CD2 1
   ATOM 253 N . ARG A 49 ? -2.29218 -18.52470 8.32888 1.000 27.53789 N ? A ? 29 N 1
   ATOM 254 CA . ARG A 49 ? -1.50554 -19.67349 8.75788 1.000 31.65378 C ? A ? 29 CA 1
   ATOM 255 C . ARG A 49 ? -1.47197 -19.75014 10.28073 1.000 35.74996 C ? A ? 29 C 1
   ATOM 256 O . ARG A 49 ? -1.44900 -18.72525 10.97548 1.000 28.95550 O ? A ? 29 O 1
   ATOM 257 CB . ARG A 49 ? -0.06890 -19.58446 8.24044 1.000 34.80048 C ? A ? 29 CB 1
   ATOM 258 CG . ARG A 49 ? 0.09250 -19.80499 6.73859 1.000 33.33546 C ? A ? 29 CG 1
   ATOM 259 CD . ARG A 49 ? 1.61870 -19.90513 6.38476 1.000 38.95097 C ? A ? 29 CD 1
   ATOM 260 NE . ARG A 49 ? 2.35942 -18.74902 6.86564 1.000 36.38150 N ? A ? 29 NE 1
   ATOM 261 CZ . ARG A 49 ? 3.57980 -18.77777 7.39015 1.000 44.56658 C ? A ? 29 CZ 1
   ATOM 262 NH1 . ARG A 49 ? 4.31783 -19.89098 7.41018 1.000 32.74455 N ? A ? 29 NH1 1
   ATOM 263 NH2 . ARG A 49 ? 4.05599 -17.67635 7.95782 1.000 35.02544 N ? A ? 29 NH2 1
   ATOM 264 N . PRO A 50 ? -1.44644 -20.94596 10.83637 1.000 30.92686 N ? A ? 30 N 1
   ATOM 265 CA . PRO A 50 ? -1.35260 -21.05592 12.30111 1.000 32.09868 C ? A ? 30 CA 1
   ATOM 266 C . PRO A 50 ? -0.23804 -20.20578 12.96544 1.000 34.11778 C ? A ? 30 C 1
   ATOM 267 O . PRO A 50 ? -0.52118 -19.51024 13.94966 1.000 28.23743 O ? A ? 30 O 1
   ATOM 268 CB . PRO A 50 ? -1.16383 -22.56997 12.49480 1.000 33.34281 C ? A ? 30 CB 1
   ATOM 269 CG . PRO A 50 ? -1.96050 -23.14194 11.40520 1.000 33.31202 C ? A ? 30 CG 1
   ATOM 270 CD . PRO A 50 ? -1.60486 -22.27099 10.19394 1.000 31.73532 C ? A ? 30 CD 1
   ATOM 271 N . ILE A 51 ? 0.99825 -20.19065 12.45274 1.000 27.52861 N ? A ? 31 N 1
   ATOM 272 CA . ILE A 51 ? 2.00641 -19.35755 13.10499 1.000 25.82454 C ? A ? 31 CA 1
   ATOM 273 C . ILE A 51 ? 1.61571 -17.88586 13.01509 1.000 24.42371 C ? A ? 31 C 1
   ATOM 274 O . ILE A 51 ? 1.82101 -17.12340 13.95731 1.000 23.61950 O ? A ? 31 O 1
   ATOM 275 CB . ILE A 51 ? 3.40913 -19.60420 12.51270 1.000 30.54836 C ? A ? 31 CB 1
   ATOM 276 CG1 . ILE A 51 ? 4.45623 -18.72347 13.19506 1.000 29.58273 C ? A ? 31 CG1 1
   ATOM 277 CG2 . ILE A 51 ? 3.41006 -19.34761 11.06523 1.000 26.88768 C ? A ? 31 CG2 1
   ATOM 278 CD1 . ILE A 51 ? 4.51950 -18.96729 14.70482 1.000 37.86517 C ? A ? 31 CD1 1
   ATOM 279 N . ASP A 52 ? 1.11148 -17.45751 11.86861 1.000 25.46027 N ? A ? 32 N 1
   ATOM 280 CA . ASP A 52 ? 0.68430 -16.06158 11.74116 1.000 24.82734 C ? A ? 32 CA 1
   ATOM 281 C . ASP A 52 ? -0.47234 -15.77179 12.69161 1.000 23.65148 C ? A ? 32 C 1
   ATOM 282 O . ASP A 52 ? -0.57078 -14.67582 13.23864 1.000 23.77050 O ? A ? 32 O 1
   ATOM 283 CB . ASP A 52 ? 0.26147 -15.77164 10.30182 1.000 24.19404 C ? A ? 32 CB 1
   ATOM 284 CG . ASP A 52 ? 1.42484 -15.75189 9.34638 1.000 32.41187 C ? A ? 32 CG 1
   ATOM 285 OD1 . ASP A 52 ? 2.52856 -15.54058 9.83675 1.000 29.78058 O ? A ? 32 OD1 1
   ATOM 286 OD2 . ASP A 52 ? 1.22449 -15.97323 8.11525 1.000 28.46419 O ? A ? 32 OD2 1
   ATOM 287 N . ALA A 53 ? -1.36971 -16.73568 12.89516 1.000 23.30094 N ? A ? 33 N 1
   ATOM 288 CA . ALA A 53 ? -2.48057 -16.49281 13.82153 1.000 26.05634 C ? A ? 33 CA 1
   ATOM 289 C . ALA A 53 ? -1.99606 -16.36263 15.25338 1.000 21.92395 C ? A ? 33 C 1
   ATOM 290 O . ALA A 53 ? -2.48291 -15.49439 16.01429 1.000 25.27581 O ? A ? 33 O 1
   ATOM 291 CB . ALA A 53 ? -3.54855 -17.60148 13.69025 1.000 29.12910 C ? A ? 33 CB 1
   ATOM 292 N . LEU A 54 ? -1.04755 -17.19128 15.66587 1.000 23.90132 N ? A ? 34 N 1
   ATOM 293 CA . LEU A 54 ? -0.42794 -17.05179 16.98593 1.000 20.27411 C ? A ? 34 CA 1
   ATOM 294 C . LEU A 54 ? 0.28002 -15.70991 17.13635 1.000 23.29871 C ? A ? 34 C 1
   ATOM 295 O . LEU A 54 ? 0.10884 -14.97996 18.13194 1.000 22.81203 O ? A ? 34 O 1
   ATOM 296 CB . LEU A 54 ? 0.60496 -18.17312 17.18575 1.000 20.41004 C ? A ? 34 CB 1
   ATOM 297 CG . LEU A 54 ? 1.39991 -18.02784 18.46240 1.000 23.54187 C ? A ? 34 CG 1
   ATOM 298 CD1 . LEU A 54 ? 0.35919 -18.08353 19.59123 1.000 23.79545 C ? A ? 34 CD1 1
   ATOM 299 CD2 . LEU A 54 ? 2.36653 -19.22771 18.62106 1.000 29.26919 C ? A ? 34 CD2 1
   ATOM 300 N . TYR A 55 ? 1.14619 -15.40925 16.20011 1.000 23.61785 N ? A ? 35 N 1
   ATOM 301 CA . TYR A 55 ? 1.80044 -14.09582 16.23190 1.000 27.20272 C ? A ? 35 CA 1
   ATOM 302 C . TYR A 55 ? 0.79059 -12.94956 16.28259 1.000 22.84571 C ? A ? 35 C 1
   ATOM 303 O . TYR A 55 ? 0.97542 -12.00663 17.03344 1.000 21.58096 O ? A ? 35 O 1
   ATOM 304 CB . TYR A 55 ? 2.72807 -14.02607 15.03202 1.000 22.89847 C ? A ? 35 CB 1
   ATOM 305 CG . TYR A 55 ? 3.18778 -12.65877 14.57917 1.000 23.71722 C ? A ? 35 CG 1
   ATOM 306 CD1 . TYR A 55 ? 4.30706 -12.06729 15.14784 1.000 24.46345 C ? A ? 35 CD1 1
   ATOM 307 CD2 . TYR A 55 ? 2.60019 -12.05577 13.44277 1.000 23.45330 C ? A ? 35 CD2 1
   ATOM 308 CE1 . TYR A 55 ? 4.76403 -10.80337 14.69909 1.000 22.66212 C ? A ? 35 CE1 1
   ATOM 309 CE2 . TYR A 55 ? 3.03020 -10.79960 13.01633 1.000 23.90139 C ? A ? 35 CE2 1
   ATOM 310 CZ . TYR A 55 ? 4.11636 -10.20672 13.61979 1.000 24.00462 C ? A ? 35 CZ 1
   ATOM 311 OH . TYR A 55 ? 4.57984 -8.99242 13.14194 1.000 23.82825 O ? A ? 35 OH 1
   ATOM 312 N . PHE A 56 ? -0.24762 -12.96923 15.44676 1.000 19.94242 N ? A ? 36 N 1
   ATOM 313 CA . PHE A 56 ? -1.23452 -11.89172 15.50990 1.000 22.28443 C ? A ? 36 CA 1
   ATOM 314 C . PHE A 56 ? -1.91548 -11.81678 16.88512 1.000 23.56624 C ? A ? 36 C 1
   ATOM 315 O . PHE A 56 ? -2.16239 -10.72230 17.41460 1.000 19.94913 O ? A ? 36 O 1
   ATOM 316 CB . PHE A 56 ? -2.26975 -12.08453 14.40595 1.000 22.85596 C ? A ? 36 CB 1
   ATOM 317 CG . PHE A 56 ? -3.37933 -11.05426 14.43585 1.000 24.10672 C ? A ? 36 CG 1
   ATOM 318 CD1 . PHE A 56 ? -3.15711 -9.75680 13.98037 1.000 21.46660 C ? A ? 36 CD1 1
   ATOM 319 CD2 . PHE A 56 ? -4.64408 -11.38024 14.93392 1.000 28.84815 C ? A ? 36 CD2 1
   ATOM 320 CE1 . PHE A 56 ? -4.19877 -8.76965 14.00046 1.000 23.06243 C ? A ? 36 CE1 1
   ATOM 321 CE2 . PHE A 56 ? -5.67505 -10.41772 14.99306 1.000 24.48752 C ? A ? 36 CE2 1
   ATOM 322 CZ . PHE A 56 ? -5.46534 -9.13503 14.51222 1.000 27.51066 C ? A ? 36 CZ 1
   ATOM 323 N . SER A 57 ? -2.28780 -12.97350 17.44843 1.000 19.96811 N ? A ? 37 N 1
   ATOM 324 CA . SER A 57 ? -2.89186 -12.98195 18.78235 1.000 19.59498 C ? A ? 37 CA 1
   ATOM 325 C . SER A 57 ? -1.98551 -12.28827 19.79065 1.000 20.92547 C ? A ? 37 C 1
   ATOM 326 O . SER A 57 ? -2.46160 -11.48546 20.59635 1.000 26.35601 O ? A ? 37 O 1
   ATOM 327 CB . SER A 57 ? -3.23566 -14.42235 19.16719 1.000 22.25708 C ? A ? 37 CB 1
   ATOM 328 OG . SER A 57 ? -4.22659 -14.92653 18.24165 1.000 23.66816 O ? A ? 37 OG 1
   ATOM 329 N . VAL A 58 ? -0.66498 -12.59025 19.76760 1.000 22.81461 N ? A ? 38 N 1
   ATOM 330 CA . VAL A 58 ? 0.26475 -11.99448 20.74774 1.000 16.66883 C ? A ? 38 CA 1
   ATOM 331 C . VAL A 58 ? 0.38281 -10.49878 20.49944 1.000 21.16777 C ? A ? 38 C 1
   ATOM 332 O . VAL A 58 ? 0.34904 -9.71733 21.44607 1.000 21.38959 O ? A ? 38 O 1
   ATOM 333 CB . VAL A 58 ? 1.66081 -12.63627 20.67806 1.000 17.51670 C ? A ? 38 CB 1
   ATOM 334 CG1 . VAL A 58 ? 2.68278 -11.87143 21.37958 1.000 22.60016 C ? A ? 38 CG1 1
   ATOM 335 CG2 . VAL A 58 ? 1.65658 -14.09688 21.11504 1.000 22.83520 C ? A ? 38 CG2 1
   ATOM 336 N . VAL A 59 ? 0.58581 -10.10542 19.22152 1.000 19.03839 N ? A ? 39 N 1
   ATOM 337 CA . VAL A 59 ? 0.76088 -8.69720 18.85854 1.000 18.13534 C ? A ? 39 CA 1
   ATOM 338 C . VAL A 59 ? -0.49973 -7.91657 19.23536 1.000 21.43006 C ? A ? 39 C 1
   ATOM 339 O . VAL A 59 ? -0.43254 -6.72995 19.59228 1.000 22.65646 O ? A ? 39 O 1
   ATOM 340 CB . VAL A 59 ? 1.05653 -8.57782 17.33262 1.000 19.85460 C ? A ? 39 CB 1
   ATOM 341 CG1 . VAL A 59 ? 0.90610 -7.14592 16.89311 1.000 22.05145 C ? A ? 39 CG1 1
   ATOM 342 CG2 . VAL A 59 ? 2.50958 -9.04337 16.98538 1.000 23.12949 C ? A ? 39 CG2 1
   ATOM 343 N . THR A 60 ? -1.66712 -8.56185 19.17882 1.000 21.49376 N ? A ? 40 N 1
   ATOM 344 CA . THR A 60 ? -2.91011 -7.90865 19.60607 1.000 20.71327 C ? A ? 40 CA 1
   ATOM 345 C . THR A 60 ? -2.96911 -7.75839 21.11294 1.000 22.27216 C ? A ? 40 C 1
   ATOM 346 O . THR A 60 ? -3.25276 -6.66098 21.62461 1.000 19.51832 O ? A ? 40 O 1
   ATOM 347 CB . THR A 60 ? -4.08752 -8.74642 19.13724 1.000 23.53322 C ? A ? 40 CB 1
   ATOM 348 OG1 . THR A 60 ? -4.09454 -8.65517 17.72852 1.000 21.67725 O ? A ? 40 OG1 1
   ATOM 349 CG2 . THR A 60 ? -5.45966 -8.29200 19.71582 1.000 22.95737 C ? A ? 40 CG2 1
   ATOM 350 N . LEU A 61 ? -2.84323 -8.88377 21.83210 1.000 22.80532 N ? A ? 41 N 1
   ATOM 351 CA . LEU A 61 ? -3.10836 -8.83896 23.26975 1.000 26.12651 C ? A ? 41 CA 1
   ATOM 352 C . LEU A 61 ? -2.05365 -8.05286 24.03822 1.000 26.50385 C ? A ? 41 C 1
   ATOM 353 O . LEU A 61 ? -2.32177 -7.62485 25.17390 1.000 23.58866 O ? A ? 41 O 1
   ATOM 354 CB . LEU A 61 ? -3.24396 -10.28766 23.78532 1.000 18.50720 C ? A ? 41 CB 1
   ATOM 355 CG . LEU A 61 ? -4.53111 -10.95573 23.29628 1.000 21.35944 C ? A ? 41 CG 1
   ATOM 356 CD1 . LEU A 61 ? -4.59036 -12.31775 24.05399 1.000 24.51935 C ? A ? 41 CD1 1
   ATOM 357 CD2 . LEU A 61 ? -5.85623 -10.11317 23.51345 1.000 25.29294 C ? A ? 41 CD2 1
   ATOM 358 N . THR A 62 ? -0.84081 -7.85937 23.48256 1.000 18.33378 N ? A ? 42 N 1
   ATOM 359 CA . THR A 62 ? 0.15475 -7.03729 24.16435 1.000 21.43309 C ? A ? 42 CA 1
   ATOM 360 C . THR A 62 ? 0.03816 -5.56826 23.79227 1.000 23.12924 C ? A ? 42 C 1
   ATOM 361 O . THR A 62 ? 0.80605 -4.74320 24.29686 1.000 20.87260 O ? A ? 42 O 1
   ATOM 362 CB . THR A 62 ? 1.56783 -7.50555 23.83116 1.000 21.85306 C ? A ? 42 CB 1
   ATOM 363 OG1 . THR A 62 ? 1.73924 -7.39532 22.40269 1.000 21.32884 O ? A ? 42 OG1 1
   ATOM 364 CG2 . THR A 62 ? 1.78107 -9.02520 24.34197 1.000 24.26608 C ? A ? 42 CG2 1
   ATOM 365 N . THR A 63 ? -0.86107 -5.25589 22.86842 1.000 21.24434 N ? A ? 43 N 1
   ATOM 366 CA . THR A 63 ? -1.26016 -3.95105 22.33127 1.000 19.35007 C ? A ? 43 CA 1
   ATOM 367 C . THR A 63 ? -0.25009 -3.42815 21.31573 1.000 24.45433 C ? A ? 43 C 1
   ATOM 368 O . THR A 63 ? -0.42167 -2.28644 20.85436 1.000 19.78880 O ? A ? 43 O 1
   ATOM 369 CB . THR A 63 ? -1.56509 -2.85277 23.35643 1.000 20.23158 C ? A ? 43 CB 1
   ATOM 370 OG1 . THR A 63 ? -0.37099 -2.35286 23.96668 1.000 21.78725 O ? A ? 43 OG1 1
   ATOM 371 CG2 . THR A 63 ? -2.48138 -3.43189 24.47539 1.000 22.64321 C ? A ? 43 CG2 1
   ATOM 372 N . VAL A 64 ? 0.74969 -4.21162 20.92442 1.000 21.93078 N ? A ? 44 N 1
   ATOM 373 CA . VAL A 64 ? 1.72728 -3.75123 19.93523 1.000 21.49785 C ? A ? 44 CA 1
   ATOM 374 C . VAL A 64 ? 1.00798 -3.35932 18.65076 1.000 19.31456 C ? A ? 44 C 1
   ATOM 375 O . VAL A 64 ? 1.21156 -2.26444 18.10986 1.000 22.75966 O ? A ? 44 O 1
   ATOM 376 CB . VAL A 64 ? 2.77384 -4.85221 19.65505 1.000 19.04224 C ? A ? 44 CB 1
   ATOM 377 CG1 . VAL A 64 ? 3.72801 -4.39515 18.54605 1.000 20.35168 C ? A ? 44 CG1 1
   ATOM 378 CG2 . VAL A 64 ? 3.66647 -5.11305 20.94208 1.000 19.85654 C ? A ? 44 CG2 1
   ATOM 379 N . GLY A 65 ? 0.17159 -4.28003 18.12349 1.000 18.94802 N ? A ? 45 N 1
   ATOM 380 CA . GLY A 65 ? -0.76708 -3.98964 17.02964 1.000 21.25519 C ? A ? 45 CA 1
   ATOM 381 C . GLY A 65 ? -0.14169 -3.43436 15.76283 1.000 24.68467 C ? A ? 45 C 1
   ATOM 382 O . GLY A 65 ? -0.60154 -2.40616 15.25805 1.000 25.45073 O ? A ? 45 O 1
   ATOM 383 N . TYR A 66 ? 0.82585 -4.12611 15.16090 1.000 27.70791 N ? A ? 46 N 1
   ATOM 384 CA . TYR A 66 ? 1.46506 -3.57330 13.95666 1.000 22.94554 C ? A ? 46 CA 1
   ATOM 385 C . TYR A 66 ? 0.48498 -3.33187 12.81410 1.000 26.24730 C ? A ? 46 C 1
   ATOM 386 O . TYR A 66 ? 0.65090 -2.38244 12.04071 1.000 22.63165 O ? A ? 46 O 1
   ATOM 387 CB . TYR A 66 ? 2.53949 -4.51657 13.42140 1.000 21.77034 C ? A ? 46 CB 1
   ATOM 388 CG . TYR A 66 ? 3.68303 -4.84396 14.38184 1.000 18.47529 C ? A ? 46 CG 1
   ATOM 389 CD1 . TYR A 66 ? 4.57634 -3.87045 14.83123 1.000 21.50910 C ? A ? 46 CD1 1
   ATOM 390 CD2 . TYR A 66 ? 3.94912 -6.18928 14.70082 1.000 23.36731 C ? A ? 46 CD2 1
   ATOM 391 CE1 . TYR A 66 ? 5.65199 -4.24410 15.69811 1.000 20.89710 C ? A ? 46 CE1 1
   ATOM 392 CE2 . TYR A 66 ? 4.99652 -6.53354 15.53325 1.000 24.54104 C ? A ? 46 CE2 1
   ATOM 393 CZ . TYR A 66 ? 5.84857 -5.57128 15.98404 1.000 24.20659 C ? A ? 46 CZ 1
   ATOM 394 OH . TYR A 66 ? 6.89674 -5.97823 16.79705 1.000 25.09925 O ? A ? 46 OH 1
   ATOM 395 N . GLY A 67 ? -0.48778 -4.21442 12.65188 1.000 21.43884 N ? A ? 47 N 1
   ATOM 396 CA . GLY A 67 ? -1.43187 -4.10062 11.56404 1.000 24.79097 C ? A ? 47 CA 1
   ATOM 397 C . GLY A 67 ? -0.97228 -4.77611 10.29105 1.000 32.57990 C ? A ? 47 C 1
   ATOM 398 O . GLY A 67 ? -1.62891 -4.60603 9.26016 1.000 30.66597 O ? A ? 47 O 1
   ATOM 399 N . ASP A 68 ? 0.11693 -5.55239 10.34112 1.000 30.62753 N ? A ? 48 N 1
   ATOM 400 CA . ASP A 68 ? 0.45304 -6.40762 9.20834 1.000 31.35762 C ? A ? 48 CA 1
   ATOM 401 C . ASP A 68 ? -0.58750 -7.50569 9.02323 1.000 38.65985 C ? A ? 48 C 1
   ATOM 402 O . ASP A 68 ? -0.78113 -8.00583 7.91014 1.000 36.85037 O ? A ? 48 O 1
   ATOM 403 CB . ASP A 68 ? 1.86467 -7.00635 9.35258 1.000 28.09445 C ? A ? 48 CB 1
   ATOM 404 CG . ASP A 68 ? 2.12955 -7.66726 10.72558 1.000 33.06032 C ? A ? 48 CG 1
   ATOM 405 OD1 . ASP A 68 ? 1.31342 -7.52703 11.63099 1.000 30.67279 O ? A ? 48 OD1 1
   ATOM 406 OD2 . ASP A 68 ? 3.20144 -8.30474 10.92121 1.000 35.32885 O ? A ? 48 OD2 1
   ATOM 407 N . PHE A 69 ? -1.23427 -7.93195 10.09249 1.000 27.62738 N ? A ? 49 N 1
   ATOM 408 CA . PHE A 69 ? -2.46269 -8.67433 9.97899 1.000 25.49876 C ? A ? 49 CA 1
   ATOM 409 C . PHE A 69 ? -3.48187 -7.87489 10.77914 1.000 34.96971 C ? A ? 49 C 1
   ATOM 410 O . PHE A 69 ? -3.14173 -7.27953 11.81905 1.000 32.44897 O ? A ? 49 O 1
   ATOM 411 CB . PHE A 69 ? -2.33549 -10.11462 10.51360 1.000 25.76257 C ? A ? 49 CB 1
   ATOM 412 CG . PHE A 69 ? -1.19268 -10.90445 9.89865 1.000 32.97783 C ? A ? 49 CG 1
   ATOM 413 CD1 . PHE A 69 ? 0.10494 -10.78156 10.37779 1.000 34.85002 C ? A ? 49 CD1 1
   ATOM 414 CD2 . PHE A 69 ? -1.42544 -11.73965 8.84379 1.000 28.87686 C ? A ? 49 CD2 1
   ATOM 415 CE1 . PHE A 69 ? 1.17722 -11.52751 9.81166 1.000 30.94304 C ? A ? 49 CE1 1
   ATOM 416 CE2 . PHE A 69 ? -0.35900 -12.46419 8.24816 1.000 28.50992 C ? A ? 49 CE2 1
   ATOM 417 CZ . PHE A 69 ? 0.92967 -12.34087 8.74916 1.000 25.41070 C ? A ? 49 CZ 1
   ATOM 418 N . SER A 70 ? -4.70792 -7.84332 10.27375 1.000 27.99668 N ? A ? 50 N 1
   ATOM 419 CA . SER A 70 ? -5.84184 -7.30177 11.01377 1.000 25.49486 C ? A ? 50 CA 1
   ATOM 420 C . SER A 70 ? -7.07845 -8.02688 10.47836 1.000 25.24892 C ? A ? 50 C 1
   ATOM 421 O . SER A 70 ? -7.05421 -8.48873 9.33478 1.000 28.07488 O ? A ? 50 O 1
   ATOM 422 CB . SER A 70 ? -5.95637 -5.78453 10.83716 1.000 24.76096 C ? A ? 50 CB 1
   ATOM 423 OG . SER A 70 ? -5.97922 -5.39857 9.46974 1.000 36.38883 O ? A ? 50 OG 1
   ATOM 424 N . PRO A 71 ? -8.13538 -8.18598 11.27306 1.000 27.44465 N ? A ? 51 N 1
   ATOM 425 CA . PRO A 71 ? -9.32503 -8.91830 10.76967 1.000 29.63870 C ? A ? 51 CA 1
   ATOM 426 C . PRO A 71 ? -9.99300 -8.19445 9.60133 1.000 26.70331 C ? A ? 51 C 1
   ATOM 427 O . PRO A 71 ? -10.16608 -6.97455 9.61026 1.000 26.51593 O ? A ? 51 O 1
   ATOM 428 CB . PRO A 71 ? -10.24259 -9.00286 12.01113 1.000 29.10068 C ? A ? 51 CB 1
   ATOM 429 CG . PRO A 71 ? -9.84451 -7.76943 12.85302 1.000 26.08651 C ? A ? 51 CG 1
   ATOM 430 CD . PRO A 71 ? -8.29084 -7.73897 12.66294 1.000 22.64808 C ? A ? 51 CD 1
   ATOM 431 N . GLN A 72 ? -10.36219 -8.95204 8.54889 1.000 24.87668 N ? A ? 52 N 1
   ATOM 432 CA . GLN A 72 ? -11.04741 -8.38983 7.40409 1.000 26.26784 C ? A ? 52 CA 1
   ATOM 433 C . GLN A 72 ? -12.55856 -8.69372 7.40210 1.000 24.26063 C ? A ? 52 C 1
   ATOM 434 O . GLN A 72 ? -13.29379 -7.98196 6.73243 1.000 28.25843 O ? A ? 52 O 1
   ATOM 435 CB . GLN A 72 ? -10.45605 -8.93015 6.11443 1.000 30.52615 C ? A ? 52 CB 1
   ATOM 436 CG . GLN A 72 ? -8.92036 -8.81873 6.00154 1.000 36.38984 C ? A ? 52 CG 1
   ATOM 437 CD . GLN A 72 ? -8.46283 -9.26849 4.62895 1.000 48.95497 C ? A ? 52 CD 1
   ATOM 438 OE1 . GLN A 72 ? -8.32414 -8.45230 3.71563 1.000 43.43838 O ? A ? 52 OE1 1
   ATOM 439 NE2 . GLN A 72 ? -8.28720 -10.57792 4.45648 1.000 63.90532 N ? A ? 52 NE2 1
   ATOM 440 N . THR A 73 ? -12.99601 -9.67053 8.16721 1.000 24.82963 N ? A ? 53 N 1
   ATOM 441 CA . THR A 73 ? -14.42105 -10.03997 8.26675 1.000 26.70339 C ? A ? 53 CA 1
   ATOM 442 C . THR A 73 ? -15.06484 -9.41757 9.49776 1.000 26.48371 C ? A ? 53 C 1
   ATOM 443 O . THR A 73 ? -14.40764 -9.15036 10.50731 1.000 25.95373 O ? A ? 53 O 1
   ATOM 444 CB . THR A 73 ? -14.61618 -11.54704 8.35133 1.000 26.16973 C ? A ? 53 CB 1
   ATOM 445 OG1 . THR A 73 ? -14.18307 -12.02758 9.60746 1.000 24.94876 O ? A ? 53 OG1 1
   ATOM 446 CG2 . THR A 73 ? -13.84426 -12.30018 7.25817 1.000 27.03683 C ? A ? 53 CG2 1
   ATOM 447 N . ASP A 74 ? -16.38922 -9.27816 9.44952 1.000 26.74025 N ? A ? 54 N 1
   ATOM 448 CA . ASP A 74 ? -17.09097 -8.74398 10.63177 1.000 23.98353 C ? A ? 54 CA 1
   ATOM 449 C . ASP A 74 ? -17.03404 -9.70805 11.79989 1.000 32.19870 C ? A ? 54 C 1
   ATOM 450 O . ASP A 74 ? -16.91706 -9.27314 12.93877 1.000 27.49483 O ? A ? 54 O 1
   ATOM 451 CB . ASP A 74 ? -18.54401 -8.41717 10.31209 1.000 28.38583 C ? A ? 54 CB 1
   ATOM 452 CG . ASP A 74 ? -18.67867 -7.23583 9.41226 1.000 29.92030 C ? A ? 54 CG 1
   ATOM 453 OD1 . ASP A 74 ? -17.65942 -6.61266 9.07195 1.000 31.80150 O ? A ? 54 OD1 1
   ATOM 454 OD2 . ASP A 74 ? -19.81707 -6.87635 9.04406 1.000 34.10611 O ? A ? 54 OD2 1
   ATOM 455 N . PHE A 75 ? -17.12560 -11.02735 11.55631 1.000 27.89252 N ? A ? 55 N 1
   ATOM 456 CA . PHE A 75 ? -16.94400 -11.97924 12.65117 1.000 27.00937 C ? A ? 55 CA 1
   ATOM 457 C . PHE A 75 ? -15.58138 -11.76236 13.30498 1.000 29.91241 C ? A ? 55 C 1
   ATOM 458 O . PHE A 75 ? -15.44245 -11.74735 14.54098 1.000 26.47895 O ? A ? 55 O 1
   ATOM 459 CB . PHE A 75 ? -17.04955 -13.38688 12.07284 1.000 30.29152 C ? A ? 55 CB 1
   ATOM 460 CG . PHE A 75 ? -17.15338 -14.47227 13.06514 1.000 34.36658 C ? A ? 55 CG 1
   ATOM 461 CD1 . PHE A 75 ? -17.24464 -14.22881 14.42637 1.000 42.61434 C ? A ? 55 CD1 1
   ATOM 462 CD2 . PHE A 75 ? -17.17367 -15.79149 12.61641 1.000 43.36378 C ? A ? 55 CD2 1
   ATOM 463 CE1 . PHE A 75 ? -17.34237 -15.28420 15.33092 1.000 47.15134 C ? A ? 55 CE1 1
   ATOM 464 CE2 . PHE A 75 ? -17.28102 -16.84752 13.50387 1.000 47.35682 C ? A ? 55 CE2 1
   ATOM 465 CZ . PHE A 75 ? -17.35511 -16.59717 14.86398 1.000 44.52191 C ? A ? 55 CZ 1
   ATOM 466 N A GLY A 76 ? -14.56710 -11.57477 12.50058 1.000 22.31988 N ? A ? 56 N 1
   ATOM 467 CA A GLY A 76 ? -13.22483 -11.38451 13.07253 1.000 20.93394 C ? A ? 56 CA 1
   ATOM 468 C A GLY A 76 ? -13.09680 -10.06751 13.81833 1.000 20.50732 C ? A ? 56 C 1
   ATOM 469 O A GLY A 76 ? -12.46161 -10.02222 14.86758 1.000 25.44286 O ? A ? 56 O 1
   ATOM 470 N B GLY A 76 ? -14.55190 -11.59123 12.47643 0.000 22.77212 N ? A ? 56 N 1
   ATOM 471 CA B GLY A 76 ? -13.21563 -11.37429 13.00236 0.000 21.33729 C ? A ? 56 CA 1
   ATOM 472 C B GLY A 76 ? -13.10824 -10.09551 13.80692 0.000 20.88536 C ? A ? 56 C 1
   ATOM 473 O B GLY A 76 ? -12.43566 -10.05835 14.83904 0.000 25.19398 O ? A ? 56 O 1
   ATOM 474 N . LYS A 77 ? -13.78429 -9.03575 13.36102 1.000 24.37713 N ? A ? 57 N 1
   ATOM 475 CA . LYS A 77 ? -13.70738 -7.76954 14.10519 1.000 22.73088 C ? A ? 57 CA 1
   ATOM 476 C . LYS A 77 ? -14.44077 -7.87745 15.42019 1.000 27.89420 C ? A ? 57 C 1
   ATOM 477 O . LYS A 77 ? -13.95637 -7.37538 16.43307 1.000 24.76944 O ? A ? 57 O 1
   ATOM 478 CB . LYS A 77 ? -14.26141 -6.62951 13.29070 1.000 22.52927 C ? A ? 57 CB 1
   ATOM 479 CG . LYS A 77 ? -13.32104 -6.20554 12.11331 1.000 25.91627 C ? A ? 57 CG 1
   ATOM 480 CD . LYS A 77 ? -14.15216 -5.42755 11.04170 1.000 24.94842 C ? A ? 57 CD 1
   ATOM 481 CE . LYS A 77 ? -13.18663 -4.98167 9.85088 1.000 32.16196 C ? A ? 57 CE 1
   ATOM 482 NZ . LYS A 77 ? -13.95944 -4.43869 8.67576 1.000 33.62035 N ? A ? 57 NZ 1
   ATOM 483 N . ILE A 78 ? -15.60923 -8.54218 15.43185 1.000 27.34436 N ? A ? 58 N 1
   ATOM 484 CA . ILE A 78 ? -16.33559 -8.70310 16.69541 1.000 21.81531 C ? A ? 58 CA 1
   ATOM 485 C . ILE A 78 ? -15.54367 -9.54455 17.67375 1.000 30.58346 C ? A ? 58 C 1
   ATOM 486 O . ILE A 78 ? -15.42422 -9.18743 18.85738 1.000 23.57277 O ? A ? 58 O 1
   ATOM 487 CB . ILE A 78 ? -17.74559 -9.27919 16.44028 1.000 27.42082 C ? A ? 58 CB 1
   ATOM 488 CG1 . ILE A 78 ? -18.55114 -8.29613 15.59475 1.000 29.09031 C ? A ? 58 CG1 1
   ATOM 489 CG2 . ILE A 78 ? -18.44796 -9.61149 17.75669 1.000 31.64361 C ? A ? 58 CG2 1
   ATOM 490 CD1 . ILE A 78 ? -19.70356 -8.91589 14.81852 1.000 42.04832 C ? A ? 58 CD1 1
   ATOM 491 N . PHE A 79 ? -15.00003 -10.68737 17.21939 1.000 24.97823 N ? A ? 59 N 1
   ATOM 492 CA . PHE A 79 ? -14.21301 -11.52867 18.11559 1.000 28.90426 C ? A ? 59 CA 1
   ATOM 493 C . PHE A 79 ? -13.03999 -10.73833 18.66314 1.000 26.08312 C ? A ? 59 C 1
   ATOM 494 O . PHE A 79 ? -12.73240 -10.81035 19.84700 1.000 25.55751 O ? A ? 59 O 1
   ATOM 495 CB . PHE A 79 ? -13.68099 -12.76790 17.35439 1.000 25.24970 C ? A ? 59 CB 1
   ATOM 496 CG . PHE A 79 ? -12.73579 -13.63852 18.16028 1.000 30.50882 C ? A ? 59 CG 1
   ATOM 497 CD1 . PHE A 79 ? -13.23065 -14.66366 18.97438 1.000 22.76541 C ? A ? 59 CD1 1
   ATOM 498 CD2 . PHE A 79 ? -11.34032 -13.45629 18.09542 1.000 25.31793 C ? A ? 59 CD2 1
   ATOM 499 CE1 . PHE A 79 ? -12.34428 -15.48298 19.67431 1.000 28.35084 C ? A ? 59 CE1 1
   ATOM 500 CE2 . PHE A 79 ? -10.47554 -14.28867 18.77032 1.000 25.46328 C ? A ? 59 CE2 1
   ATOM 501 CZ . PHE A 79 ? -10.97001 -15.28039 19.57967 1.000 31.43142 C ? A ? 59 CZ 1
   ATOM 502 N . THR A 80 ? -12.38923 -9.96384 17.80317 1.000 23.10632 N ? A ? 60 N 1
   ATOM 503 CA . THR A 80 ? -11.20458 -9.18477 18.22507 1.000 20.66262 C ? A ? 60 CA 1
   ATOM 504 C . THR A 80 ? -11.53602 -8.19067 19.33510 1.000 21.80819 C ? A ? 60 C 1
   ATOM 505 O . THR A 80 ? -10.77884 -8.07055 20.32214 1.000 25.41246 O ? A ? 60 O 1
   ATOM 506 CB . THR A 80 ? -10.62029 -8.45421 16.99291 1.000 20.44642 C ? A ? 60 CB 1
   ATOM 507 OG1 . THR A 80 ? -10.16222 -9.43532 16.07450 1.000 24.86768 O ? A ? 60 OG1 1
   ATOM 508 CG2 . THR A 80 ? -9.37741 -7.62944 17.38789 1.000 26.15046 C ? A ? 60 CG2 1
   ATOM 509 N . ILE A 81 ? -12.69022 -7.53036 19.24193 1.000 26.61405 N ? A ? 61 N 1
   ATOM 510 CA . ILE A 81 ? -13.14315 -6.62805 20.31385 1.000 21.65339 C ? A ? 61 CA 1
   ATOM 511 C . ILE A 81 ? -13.21918 -7.37856 21.62344 1.000 25.56909 C ? A ? 61 C 1
   ATOM 512 O . ILE A 81 ? -12.62337 -6.96745 22.62422 1.000 23.92416 O ? A ? 61 O 1
   ATOM 513 CB . ILE A 81 ? -14.50913 -6.02585 19.95761 1.000 24.88885 C ? A ? 61 CB 1
   ATOM 514 CG1 . ILE A 81 ? -14.38883 -5.01890 18.82046 1.000 26.14238 C ? A ? 61 CG1 1
   ATOM 515 CG2 . ILE A 81 ? -15.14030 -5.38302 21.18431 1.000 28.06065 C ? A ? 61 CG2 1
   ATOM 516 CD1 . ILE A 81 ? -15.77954 -4.57875 18.29596 1.000 30.37267 C ? A ? 61 CD1 1
   ATOM 517 N . LEU A 82 ? -13.91256 -8.52701 21.61636 1.000 25.13682 N ? A ? 62 N 1
   ATOM 518 CA . LEU A 82 ? -14.07025 -9.31045 22.84050 1.000 25.78971 C ? A ? 62 CA 1
   ATOM 519 C . LEU A 82 ? -12.75652 -9.94073 23.25885 1.000 25.27629 C ? A ? 62 C 1
   ATOM 520 O . LEU A 82 ? -12.44052 -10.00861 24.45290 1.000 27.18426 O ? A ? 62 O 1
   ATOM 521 CB . LEU A 82 ? -15.15618 -10.38552 22.63565 1.000 26.18153 C ? A ? 62 CB 1
   ATOM 522 CG . LEU A 82 ? -16.53427 -9.81737 22.25905 1.000 30.62424 C ? A ? 62 CG 1
   ATOM 523 CD1 . LEU A 82 ? -17.48773 -10.92418 21.78920 1.000 41.18004 C ? A ? 62 CD1 1
   ATOM 524 CD2 . LEU A 82 ? -17.09351 -9.07381 23.49173 1.000 35.66540 C ? A ? 62 CD2 1
   ATOM 525 N . TYR A 83 ? -11.97747 -10.44631 22.29302 1.000 22.00906 N ? A ? 63 N 1
   ATOM 526 CA . TYR A 83 ? -10.67965 -11.04956 22.62432 1.000 29.76629 C ? A ? 63 CA 1
   ATOM 527 C . TYR A 83 ? -9.77043 -10.05393 23.37002 1.000 27.77904 C ? A ? 63 C 1
   ATOM 528 O . TYR A 83 ? -9.12776 -10.40306 24.37623 1.000 25.52732 O ? A ? 63 O 1
   ATOM 529 CB . TYR A 83 ? -10.02061 -11.53368 21.32281 1.000 25.73663 C ? A ? 63 CB 1
   ATOM 530 CG . TYR A 83 ? -8.83806 -12.43420 21.49341 1.000 25.23381 C ? A ? 63 CG 1
   ATOM 531 CD1 . TYR A 83 ? -8.93076 -13.64714 22.18945 1.000 24.11151 C ? A ? 63 CD1 1
   ATOM 532 CD2 . TYR A 83 ? -7.62454 -12.12098 20.88969 1.000 26.80656 C ? A ? 63 CD2 1
   ATOM 533 CE1 . TYR A 83 ? -7.84553 -14.51231 22.31395 1.000 22.24063 C ? A ? 63 CE1 1
   ATOM 534 CE2 . TYR A 83 ? -6.54339 -12.97406 20.98944 1.000 23.42116 C ? A ? 63 CE2 1
   ATOM 535 CZ . TYR A 83 ? -6.64157 -14.14577 21.72473 1.000 24.95203 C ? A ? 63 CZ 1
   ATOM 536 OH . TYR A 83 ? -5.56765 -14.98997 21.81443 1.000 23.80605 O ? A ? 63 OH 1
   ATOM 537 N . ILE A 84 ? -9.73685 -8.80427 22.90552 1.000 25.39236 N ? A ? 64 N 1
   ATOM 538 CA . ILE A 84 ? -8.92023 -7.76457 23.55286 1.000 25.05809 C ? A ? 64 CA 1
   ATOM 539 C . ILE A 84 ? -9.39103 -7.51486 24.98238 1.000 28.27830 C ? A ? 64 C 1
   ATOM 540 O . ILE A 84 ? -8.58773 -7.51793 25.93452 1.000 26.27791 O ? A ? 64 O 1
   ATOM 541 CB . ILE A 84 ? -8.93171 -6.47532 22.71578 1.000 24.39743 C ? A ? 64 CB 1
   ATOM 542 CG1 . ILE A 84 ? -8.13415 -6.67416 21.44192 1.000 23.70042 C ? A ? 64 CG1 1
   ATOM 543 CG2 . ILE A 84 ? -8.36138 -5.30242 23.55569 1.000 34.01983 C ? A ? 64 CG2 1
   ATOM 544 CD1 . ILE A 84 ? -8.36859 -5.51720 20.40373 1.000 21.14769 C ? A ? 64 CD1 1
   ATOM 545 N . PHE A 85 ? -10.70337 -7.34874 25.17458 1.000 31.39242 N ? A ? 65 N 1
   ATOM 546 CA . PHE A 85 ? -11.18753 -7.02309 26.52680 1.000 30.89521 C ? A ? 65 CA 1
   ATOM 547 C . PHE A 85 ? -10.91405 -8.15215 27.51802 1.000 34.40792 C ? A ? 65 C 1
   ATOM 548 O . PHE A 85 ? -10.54883 -7.90196 28.66426 1.000 36.69731 O ? A ? 65 O 1
   ATOM 549 CB . PHE A 85 ? -12.67371 -6.67685 26.49641 1.000 27.71001 C ? A ? 65 CB 1
   ATOM 550 CG . PHE A 85 ? -12.91217 -5.23520 26.21391 1.000 34.38873 C ? A ? 65 CG 1
   ATOM 551 CD1 . PHE A 85 ? -12.62545 -4.27972 27.18045 1.000 29.35742 C ? A ? 65 CD1 1
   ATOM 552 CD2 . PHE A 85 ? -13.37503 -4.82792 24.99770 1.000 24.29586 C ? A ? 65 CD2 1
   ATOM 553 CE1 . PHE A 85 ? -12.80959 -2.92597 26.92319 1.000 34.95651 C ? A ? 65 CE1 1
   ATOM 554 CE2 . PHE A 85 ? -13.55880 -3.47077 24.71091 1.000 29.68427 C ? A ? 65 CE2 1
   ATOM 555 CZ . PHE A 85 ? -13.28380 -2.52495 25.67359 1.000 38.54645 C ? A ? 65 CZ 1
   ATOM 556 N . ILE A 86 ? -11.06742 -9.39915 27.10024 1.000 28.92348 N ? A ? 66 N 1
   ATOM 557 CA . ILE A 86 ? -10.87746 -10.48510 28.04470 1.000 30.33158 C ? A ? 66 CA 1
   ATOM 558 C . ILE A 86 ? -9.40852 -10.81796 28.21678 1.000 35.82861 C ? A ? 66 C 1
   ATOM 559 O . ILE A 86 ? -8.97344 -11.14478 29.31778 1.000 43.23382 O ? A ? 66 O 1
   ATOM 560 CB . ILE A 86 ? -11.69139 -11.70479 27.60838 1.000 36.37771 C ? A ? 66 CB 1
   ATOM 561 CG1 . ILE A 86 ? -13.16619 -11.36627 27.73857 1.000 48.16977 C ? A ? 66 CG1 1
   ATOM 562 CG2 . ILE A 86 ? -11.34034 -12.91282 28.48147 1.000 45.23822 C ? A ? 66 CG2 1
   ATOM 563 CD1 . ILE A 86 ? -14.04408 -12.05300 26.75877 1.000 59.37115 C ? A ? 66 CD1 1
   ATOM 564 N . GLY A 87 ? -8.62856 -10.75374 27.14632 1.000 32.70698 N ? A ? 67 N 1
   ATOM 565 CA . GLY A 87 ? -7.24126 -11.20652 27.16803 1.000 28.46639 C ? A ? 67 CA 1
   ATOM 566 C . GLY A 87 ? -6.16058 -10.21615 27.58106 1.000 31.38095 C ? A ? 67 C 1
   ATOM 567 O . GLY A 87 ? -5.08039 -10.64655 28.00720 1.000 32.87674 O ? A ? 67 O 1
   ATOM 568 N . ILE A 88 ? -6.38434 -8.90302 27.43029 1.000 28.63963 N ? A ? 68 N 1
   ATOM 569 CA . ILE A 88 ? -5.32013 -7.95398 27.79350 1.000 26.28263 C ? A ? 68 CA 1
   ATOM 570 C . ILE A 88 ? -5.00141 -8.09334 29.26742 1.000 28.90319 C ? A ? 68 C 1
   ATOM 571 O . ILE A 88 ? -3.84090 -8.09564 29.67107 1.000 31.53527 O ? A ? 68 O 1
   ATOM 572 CB . ILE A 88 ? -5.70208 -6.50267 27.49696 1.000 29.62955 C ? A ? 68 CB 1
   ATOM 573 CG1 . ILE A 88 ? -5.66299 -6.15903 26.01228 1.000 34.29903 C ? A ? 68 CG1 1
   ATOM 574 CG2 . ILE A 88 ? -4.64330 -5.51094 28.15036 1.000 32.06633 C ? A ? 68 CG2 1
   ATOM 575 CD1 . ILE A 88 ? -5.67782 -4.62956 25.83114 1.000 32.56239 C ? A ? 68 CD1 1
   ATOM 576 N . GLY A 89 ? -6.03341 -8.17410 30.10018 1.000 34.88707 N ? A ? 69 N 1
   ATOM 577 CA . GLY A 89 ? -5.79121 -8.19726 31.53835 1.000 35.47838 C ? A ? 69 CA 1
   ATOM 578 C . GLY A 89 ? -4.97824 -9.40016 31.98193 1.000 39.57987 C ? A ? 69 C 1
   ATOM 579 O . GLY A 89 ? -4.08281 -9.28021 32.82594 1.000 47.38260 O ? A ? 69 O 1
   ATOM 580 N . LEU A 90 ? -5.25991 -10.56575 31.39295 1.000 40.26997 N ? A ? 70 N 1
   ATOM 581 CA . LEU A 90 ? -4.54239 -11.79798 31.69581 1.000 34.21871 C ? A ? 70 CA 1
   ATOM 582 C . LEU A 90 ? -3.10771 -11.76012 31.17628 1.000 40.98270 C ? A ? 70 C 1
   ATOM 583 O . LEU A 90 ? -2.16189 -12.15509 31.86365 1.000 35.80818 O ? A ? 70 O 1
   ATOM 584 CB . LEU A 90 ? -5.29463 -12.95208 31.05734 1.000 37.05723 C ? A ? 70 CB 1
   ATOM 585 CG . LEU A 90 ? -4.68785 -14.31137 31.39053 1.000 50.69873 C ? A ? 70 CG 1
   ATOM 586 CD1 . LEU A 90 ? -5.33279 -14.86751 32.64626 1.000 60.54306 C ? A ? 70 CD1 1
   ATOM 587 CD2 . LEU A 90 ? -4.87509 -15.23504 30.22503 1.000 41.30689 C ? A ? 70 CD2 1
   ATOM 588 N . VAL A 91 ? -2.93532 -11.31773 29.93739 1.000 32.49256 N ? A ? 71 N 1
   ATOM 589 CA . VAL A 91 ? -1.60134 -11.24496 29.35791 1.000 30.44579 C ? A ? 71 CA 1
   ATOM 590 C . VAL A 91 ? -0.70495 -10.32056 30.18284 1.000 29.89271 C ? A ? 71 C 1
   ATOM 591 O . VAL A 91 ? 0.44318 -10.65631 30.48160 1.000 33.10941 O ? A ? 71 O 1
   ATOM 592 CB . VAL A 91 ? -1.69393 -10.80434 27.89128 1.000 27.86431 C ? A ? 71 CB 1
   ATOM 593 CG1 . VAL A 91 ? -0.36824 -10.13132 27.42058 1.000 33.85370 C ? A ? 71 CG1 1
   ATOM 594 CG2 . VAL A 91 ? -2.12068 -12.00174 26.99646 1.000 35.42994 C ? A ? 71 CG2 1
   ATOM 595 N . PHE A 92 ? -1.19932 -9.11888 30.53914 1.000 34.05208 N ? A ? 72 N 1
   ATOM 596 CA . PHE A 92 ? -0.33859 -8.21568 31.30869 1.000 35.58707 C ? A ? 72 CA 1
   ATOM 597 C . PHE A 92 ? -0.12434 -8.67747 32.73966 1.000 42.13168 C ? A ? 72 C 1
   ATOM 598 O . PHE A 92 ? 0.93988 -8.40020 33.31253 1.000 47.07105 O ? A ? 72 O 1
   ATOM 599 CB . PHE A 92 ? -0.86767 -6.79155 31.26766 1.000 33.98097 C ? A ? 72 CB 1
   ATOM 600 CG . PHE A 92 ? -0.44600 -6.11527 30.03326 1.000 37.54678 C ? A ? 72 CG 1
   ATOM 601 CD1 . PHE A 92 ? -1.15138 -6.31855 28.86202 1.000 31.96847 C ? A ? 72 CD1 1
   ATOM 602 CD2 . PHE A 92 ? 0.74692 -5.41687 29.99032 1.000 38.92107 C ? A ? 72 CD2 1
   ATOM 603 CE1 . PHE A 92 ? -0.74546 -5.73008 27.70070 1.000 31.17793 C ? A ? 72 CE1 1
   ATOM 604 CE2 . PHE A 92 ? 1.18124 -4.85178 28.79186 1.000 39.16757 C ? A ? 72 CE2 1
   ATOM 605 CZ . PHE A 92 ? 0.42107 -5.01570 27.65325 1.000 30.48671 C ? A ? 72 CZ 1
   ATOM 606 N . GLY A 93 ? -1.10155 -9.36331 33.32654 1.000 43.00756 N ? A ? 73 N 1
   ATOM 607 CA . GLY A 93 ? -0.84320 -10.04708 34.58222 1.000 47.86347 C ? A ? 73 CA 1
   ATOM 608 C . GLY A 93 ? 0.30273 -11.02775 34.45159 1.000 52.89877 C ? A ? 73 C 1
   ATOM 609 O . GLY A 93 ? 1.19670 -11.07493 35.29877 1.000 58.26924 O ? A ? 73 O 1
   ATOM 610 N . PHE A 94 ? 0.30620 -11.80685 33.37158 1.000 51.22783 N ? A ? 74 N 1
   ATOM 611 CA . PHE A 94 ? 1.39475 -12.74708 33.14583 1.000 43.15926 C ? A ? 74 CA 1
   ATOM 612 C . PHE A 94 ? 2.71843 -12.03486 32.90489 1.000 51.40407 C ? A ? 74 C 1
   ATOM 613 O . PHE A 94 ? 3.75750 -12.45660 33.42001 1.000 48.66602 O ? A ? 74 O 1
   ATOM 614 CB . PHE A 94 ? 1.07192 -13.66244 31.96495 1.000 38.94424 C ? A ? 74 CB 1
   ATOM 615 CG . PHE A 94 ? 2.20346 -14.57049 31.62124 1.000 41.42145 C ? A ? 74 CG 1
   ATOM 616 CD1 . PHE A 94 ? 2.50215 -15.66152 32.42566 1.000 49.60716 C ? A ? 74 CD1 1
   ATOM 617 CD2 . PHE A 94 ? 2.99929 -14.31104 30.53238 1.000 42.44808 C ? A ? 74 CD2 1
   ATOM 618 CE1 . PHE A 94 ? 3.57113 -16.49107 32.13112 1.000 42.24348 C ? A ? 74 CE1 1
   ATOM 619 CE2 . PHE A 94 ? 4.07068 -15.13901 30.22584 1.000 49.30212 C ? A ? 74 CE2 1
   ATOM 620 CZ . PHE A 94 ? 4.35577 -16.22945 31.01769 1.000 47.70037 C ? A ? 74 CZ 1
   ATOM 621 N . ILE A 95 ? 2.71489 -10.97638 32.09842 1.000 39.09152 N ? A ? 75 N 1
   ATOM 622 CA . ILE A 95 ? 3.95278 -10.26125 31.84578 1.000 42.51013 C ? A ? 75 CA 1
   ATOM 623 C . ILE A 95 ? 4.49634 -9.71377 33.14844 1.000 57.98339 C ? A ? 75 C 1
   ATOM 624 O . ILE A 95 ? 5.70495 -9.76864 33.41183 1.000 62.27027 O ? A ? 75 O 1
   ATOM 625 CB . ILE A 95 ? 3.74000 -9.15927 30.79090 1.000 38.01562 C ? A ? 75 CB 1
   ATOM 626 CG1 . ILE A 95 ? 3.54066 -9.82002 29.42544 1.000 41.08612 C ? A ? 75 CG1 1
   ATOM 627 CG2 . ILE A 95 ? 4.97251 -8.20395 30.76273 1.000 40.46260 C ? A ? 75 CG2 1
   ATOM 628 CD1 . ILE A 95 ? 3.09286 -8.89152 28.34272 1.000 35.87735 C ? A ? 75 CD1 1
   ATOM 629 N . HIS A 96 ? 3.60737 -9.24498 34.01107 1.000 50.49120 N ? A ? 76 N 1
   ATOM 630 CA . HIS A 96 ? 4.06027 -8.56216 35.20743 1.000 65.46500 C ? A ? 76 CA 1
   ATOM 631 C . HIS A 96 ? 4.49650 -9.55236 36.27636 1.000 73.02974 C ? A ? 76 C 1
   ATOM 632 O . HIS A 96 ? 5.55574 -9.38858 36.88506 1.000 75.80401 O ? A ? 76 O 1
   ATOM 633 CB . HIS A 96 ? 2.95928 -7.66684 35.74026 1.000 66.68696 C ? A ? 76 CB 1
   ATOM 634 CG . HIS A 96 ? 3.34395 -6.94964 36.98512 1.000 86.28544 C ? A ? 76 CG 1
   ATOM 635 ND1 . HIS A 96 ? 4.54062 -6.27868 37.10877 1.000 91.39941 N ? A ? 76 ND1 1
   ATOM 636 CD2 . HIS A 96 ? 2.70277 -6.80756 38.16738 1.000 93.10040 C ? A ? 76 CD2 1
   ATOM 637 CE1 . HIS A 96 ? 4.61587 -5.74397 38.31367 1.000 109.27460 C ? A ? 76 CE1 1
   ATOM 638 NE2 . HIS A 96 ? 3.51334 -6.04911 38.97525 1.000 117.98373 N ? A ? 76 NE2 1
   ATOM 639 N . LYS A 97 ? 3.68581 -10.58047 36.52547 1.000 65.25967 N ? A ? 77 N 1
   ATOM 640 CA . LYS A 97 ? 4.09640 -11.60537 37.47611 1.000 74.64802 C ? A ? 77 CA 1
   ATOM 641 C . LYS A 97 ? 5.30994 -12.37082 36.97796 1.000 71.08890 C ? A ? 77 C 1
   ATOM 642 O . LYS A 97 ? 6.15007 -12.77368 37.78635 1.000 74.72669 O ? A ? 77 O 1
   ATOM 643 CB . LYS A 97 ? 2.93933 -12.55208 37.78555 1.000 73.24897 C ? A ? 77 CB 1
   ATOM 644 CG . LYS A 97 ? 2.01220 -12.02027 38.87286 1.000 89.21142 C ? A ? 77 CG 1
   ATOM 645 CD . LYS A 97 ? 2.81233 -11.61536 40.11049 1.000 97.57333 C ? A ? 77 CD 1
   ATOM 646 CE . LYS A 97 ? 1.97314 -10.82286 41.10443 1.000 101.72655 C ? A ? 77 CE 1
   ATOM 647 NZ . LYS A 97 ? 2.75064 -10.47425 42.33253 1.000 112.10513 N ? A ? 77 NZ 1
   ATOM 648 N . LEU A 98 ? 5.44047 -12.56626 35.66499 1.000 55.37862 N ? A ? 78 N 1
   ATOM 649 CA . LEU A 98 ? 6.71444 -13.04394 35.14776 1.000 57.05638 C ? A ? 78 CA 1
   ATOM 650 C . LEU A 98 ? 7.83646 -12.11514 35.57609 1.000 70.78625 C ? A ? 78 C 1
   ATOM 651 O . LEU A 98 ? 8.86101 -12.56234 36.10325 1.000 72.32851 O ? A ? 78 O 1
   ATOM 652 CB . LEU A 98 ? 6.67772 -13.16246 33.62836 1.000 54.14962 C ? A ? 78 CB 1
   ATOM 653 CG . LEU A 98 ? 8.04769 -13.33257 32.98823 1.000 58.79455 C ? A ? 78 CG 1
   ATOM 654 CD1 . LEU A 98 ? 8.61394 -14.68160 33.35879 1.000 68.48168 C ? A ? 78 CD1 1
   ATOM 655 CD2 . LEU A 98 ? 7.98800 -13.18417 31.46754 1.000 46.54593 C ? A ? 78 CD2 1
   ATOM 656 N . ALA A 99 ? 7.64582 -10.80720 35.37721 1.000 73.05290 N ? A ? 79 N 1
   ATOM 657 CA . ALA A 99 ? 8.64041 -9.83337 35.81876 1.000 76.26164 C ? A ? 79 CA 1
   ATOM 658 C . ALA A 99 ? 8.89561 -9.92547 37.31535 1.000 77.26858 C ? A ? 79 C 1
   ATOM 659 O . ALA A 99 ? 10.03490 -9.76090 37.76418 1.000 75.35664 O ? A ? 79 O 1
   ATOM 660 CB . ALA A 99 ? 8.19840 -8.41877 35.43287 1.000 71.70083 C ? A ? 79 CB 1
   ATOM 661 N . VAL A 100 ? 7.85802 -10.21641 38.09505 1.000 82.64674 N ? A ? 80 N 1
   ATOM 662 CA . VAL A 100 ? 7.97699 -10.22429 39.54967 1.000 86.88930 C ? A ? 80 CA 1
   ATOM 663 C . VAL A 100 ? 8.61160 -11.52116 40.03472 1.000 82.66128 C ? A ? 80 C 1
   ATOM 664 O . VAL A 100 ? 9.69422 -11.51992 40.63040 1.000 83.93241 O ? A ? 80 O 1
   ATOM 665 CB . VAL A 100 ? 6.59535 -9.99717 40.19511 1.000 97.08715 C ? A ? 80 CB 1
   ATOM 666 CG1 . VAL A 100 ? 6.61479 -10.35165 41.67848 1.000 97.32417 C ? A ? 80 CG1 1
   ATOM 667 CG2 . VAL A 100 ? 6.14960 -8.55345 39.99179 1.000 102.89552 C ? A ? 80 CG2 1
   ATOM 668 N . ASN A 101 ? 7.94789 -12.64617 39.77897 1.000 80.35764 N ? A ? 81 N 1
   ATOM 669 CA . ASN A 101 ? 8.31156 -13.92188 40.37529 1.000 85.38433 C ? A ? 81 CA 1
   ATOM 670 C . ASN A 101 ? 9.46269 -14.62993 39.66683 1.000 86.82514 C ? A ? 81 C 1
   ATOM 671 O . ASN A 101 ? 9.92720 -15.65747 40.17462 1.000 93.12235 O ? A ? 81 O 1
   ATOM 672 CB . ASN A 101 ? 7.09088 -14.85133 40.39595 1.000 94.75477 C ? A ? 81 CB 1
   ATOM 673 CG . ASN A 101 ? 6.07358 -14.47419 41.46170 1.000 103.47406 C ? A ? 81 CG 1
   ATOM 674 OD1 . ASN A 101 ? 5.52572 -13.36930 41.46019 1.000 99.93660 O ? A ? 81 OD1 1
   ATOM 675 ND2 . ASN A 101 ? 5.79661 -15.40969 42.36567 1.000 111.91686 N ? A ? 81 ND2 1
   ATOM 676 N . VAL A 102 ? 9.92691 -14.14162 38.51157 1.000 72.50390 N ? A ? 82 N 1
   ATOM 677 CA . VAL A 102 ? 10.90918 -14.89713 37.73657 1.000 63.37191 C ? A ? 82 CA 1
   ATOM 678 C . VAL A 102 ? 12.01208 -13.99120 37.21282 1.000 74.54483 C ? A ? 82 C 1
   ATOM 679 O . VAL A 102 ? 13.19215 -14.36237 37.20524 1.000 58.34958 O ? A ? 82 O 1
   ATOM 680 CB . VAL A 102 ? 10.24593 -15.64676 36.56907 1.000 57.12596 C ? A ? 82 CB 1
   ATOM 681 CG1 . VAL A 102 ? 11.25402 -16.55464 35.89679 1.000 68.85142 C ? A ? 82 CG1 1
   ATOM 682 CG2 . VAL A 102 ? 9.05210 -16.44830 37.05076 1.000 63.32321 C ? A ? 82 CG2 1
   ATOM 683 N . GLN A 103 ? 11.64091 -12.80267 36.75486 1.000 75.48032 N ? A ? 83 N 1
   ATOM 684 CA . GLN A 103 ? 12.63315 -11.93685 36.13416 1.000 78.30699 C ? A ? 83 CA 1
   ATOM 685 C . GLN A 103 ? 13.46576 -11.22169 37.18558 1.000 79.81143 C ? A ? 83 C 1
   ATOM 686 O . GLN A 103 ? 14.70364 -11.22911 37.12355 1.000 70.71835 O ? A ? 83 O 1
   ATOM 687 CB . GLN A 103 ? 11.94427 -10.92659 35.21319 1.000 69.77881 C ? A ? 83 CB 1
   ATOM 688 CG . GLN A 103 ? 11.18793 -11.56612 34.06083 1.000 74.88230 C ? A ? 83 CG 1
   ATOM 689 CD . GLN A 103 ? 10.78436 -10.55944 32.99774 1.000 67.43304 C ? A ? 83 CD 1
   ATOM 690 OE1 . GLN A 103 ? 10.04539 -9.62593 33.27213 1.000 62.70330 O ? A ? 83 OE1 1
   ATOM 691 NE2 . GLN A 103 ? 11.28564 -10.74166 31.77971 1.000 60.71708 N ? A ? 83 NE2 1
   ATOM 692 N . LEU A 104 ? 12.79248 -10.61504 38.16409 1.000 72.07487 N ? A ? 84 N 1
   ATOM 693 CA . LEU A 104 ? 13.48910 -9.77316 39.12847 1.000 76.78833 C ? A ? 84 CA 1
   ATOM 694 C . LEU A 104 ? 14.49532 -10.54865 39.96621 1.000 79.72037 C ? A ? 84 C 1
   ATOM 695 O . LEU A 104 ? 15.62608 -10.05874 40.11626 1.000 71.68794 O ? A ? 84 O 1
   ATOM 696 CB . LEU A 104 ? 12.46740 -9.04829 40.01363 1.000 74.98373 C ? A ? 84 CB 1
   ATOM 697 CG . LEU A 104 ? 12.90952 -7.76149 40.71443 1.000 79.50524 C ? A ? 84 CG 1
   ATOM 698 CD1 . LEU A 104 ? 12.81054 -6.55993 39.78186 1.000 80.27789 C ? A ? 84 CD1 1
   ATOM 699 CD2 . LEU A 104 ? 12.06384 -7.53783 41.95415 1.000 74.75335 C ? A ? 84 CD2 1
   ATOM 700 N . PRO A 105 ? 14.18616 -11.73276 40.51165 1.000 80.73729 N ? A ? 85 N 1
   ATOM 701 CA . PRO A 105 ? 15.20732 -12.43480 41.31554 1.000 75.25404 C ? A ? 85 CA 1
   ATOM 702 C . PRO A 105 ? 16.47158 -12.78317 40.54398 1.000 75.86266 C ? A ? 85 C 1
   ATOM 703 O . PRO A 105 ? 17.57162 -12.41311 40.97339 1.000 64.41054 O ? A ? 85 O 1
   ATOM 704 CB . PRO A 105 ? 14.46525 -13.68400 41.80046 1.000 75.36499 C ? A ? 85 CB 1
   ATOM 705 CG . PRO A 105 ? 13.02721 -13.28088 41.80910 1.000 86.14483 C ? A ? 85 CG 1
   ATOM 706 CD . PRO A 105 ? 12.86637 -12.38530 40.62064 1.000 80.66563 C ? A ? 85 CD 1
   ATOM 707 N . SER A 106 ? 16.35704 -13.47864 39.41098 1.000 67.79447 N ? A ? 86 N 1
   ATOM 708 CA . SER A 106 ? 17.56573 -13.99060 38.77937 1.000 71.06063 C ? A ? 86 CA 1
   ATOM 709 C . SER A 106 ? 18.55341 -12.87264 38.47231 1.000 75.62550 C ? A ? 86 C 1
   ATOM 710 O . SER A 106 ? 19.76601 -13.05460 38.62998 1.000 66.62268 O ? A ? 86 O 1
   ATOM 711 CB . SER A 106 ? 17.20734 -14.78488 37.52690 1.000 74.46499 C ? A ? 86 CB 1
   ATOM 712 OG . SER A 106 ? 17.09616 -16.17029 37.84166 1.000 75.63939 O ? A ? 86 OG 1
   ATOM 713 N . ILE A 107 ? 18.05946 -11.69500 38.09056 1.000 76.45132 N ? A ? 87 N 1
   ATOM 714 CA . ILE A 107 ? 18.97577 -10.58140 37.89136 1.000 79.14585 C ? A ? 87 CA 1
   ATOM 715 C . ILE A 107 ? 19.34131 -9.92599 39.21897 1.000 68.18890 C ? A ? 87 C 1
   ATOM 716 O . ILE A 107 ? 20.47070 -9.46404 39.39083 1.000 74.00580 O ? A ? 87 O 1
   ATOM 717 CB . ILE A 107 ? 18.37839 -9.56938 36.89751 1.000 84.98691 C ? A ? 87 CB 1
   ATOM 718 CG1 . ILE A 107 ? 16.97358 -9.14929 37.32587 1.000 75.11370 C ? A ? 87 CG1 1
   ATOM 719 CG2 . ILE A 107 ? 18.35587 -10.15676 35.49018 1.000 87.41487 C ? A ? 87 CG2 1
   ATOM 720 CD1 . ILE A 107 ? 16.93371 -7.85357 38.09276 1.000 85.72485 C ? A ? 87 CD1 1
   ATOM 721 N . LEU A 108 ? 18.42146 -9.90150 40.18140 1.000 70.29854 N ? A ? 88 N 1
   ATOM 722 CA . LEU A 108 ? 18.66051 -9.17354 41.42050 1.000 67.27679 C ? A ? 88 CA 1
   ATOM 723 C . LEU A 108 ? 19.73910 -9.84208 42.25803 1.000 77.37254 C ? A ? 88 C 1
   ATOM 724 O . LEU A 108 ? 20.70444 -9.19412 42.68105 1.000 82.55462 O ? A ? 88 O 1
   ATOM 725 CB . LEU A 108 ? 17.36755 -9.06732 42.22075 1.000 66.24333 C ? A ? 88 CB 1
   ATOM 726 CG . LEU A 108 ? 17.30492 -7.84568 43.11857 1.000 75.80013 C ? A ? 88 CG 1
   ATOM 727 CD1 . LEU A 108 ? 17.63406 -6.61798 42.29533 1.000 75.70247 C ? A ? 88 CD1 1
   ATOM 728 CD2 . LEU A 108 ? 15.93482 -7.71752 43.76676 1.000 74.07145 C ? A ? 88 CD2 1
   ATOM 729 N . SER A 109 ? 19.56350 -11.13036 42.54541 1.000 72.59285 N ? A ? 89 N 1
   ATOM 730 CA . SER A 109 ? 20.60917 -11.90294 43.19715 1.000 71.23388 C ? A ? 89 CA 1
   ATOM 731 C . SER A 109 ? 21.94439 -11.69156 42.51096 1.000 76.20232 C ? A ? 89 C 1
   ATOM 732 O . SER A 109 ? 22.98196 -11.60492 43.16965 1.000 82.56789 O ? A ? 89 O 1
   ATOM 733 CB . SER A 109 ? 20.23496 -13.37513 43.17956 1.000 77.35250 C ? A ? 89 CB 1
   ATOM 734 OG . SER A 109 ? 19.75720 -13.71713 41.89114 1.000 86.62064 O ? A ? 89 OG 1
   ATOM 735 N . ASN A 110 ? 21.93159 -11.58798 41.18367 1.000 78.34903 N ? A ? 90 N 1
   ATOM 736 CA . ASN A 110 ? 23.14537 -11.38548 40.40684 1.000 79.70989 C ? A ? 90 CA 1
   ATOM 737 C . ASN A 110 ? 23.88631 -10.10749 40.77442 1.000 74.54271 C ? A ? 90 C 1
   ATOM 738 O . ASN A 110 ? 25.00599 -9.90144 40.29726 1.000 85.64728 O ? A ? 90 O 1
   ATOM 739 CB . ASN A 110 ? 22.79307 -11.37647 38.92421 1.000 86.37032 C ? A ? 90 CB 1
   ATOM 740 CG . ASN A 110 ? 23.71408 -12.22989 38.12317 1.000 88.76339 C ? A ? 90 CG 1
   ATOM 741 OD1 . ASN A 110 ? 24.41845 -13.07590 38.68242 1.000 86.43536 O ? A ? 90 OD1 1
   ATOM 742 ND2 . ASN A 110 ? 23.72241 -12.03091 36.80597 1.000 76.53014 N ? A ? 90 ND2 1
   ATOM 743 N . LEU A 111 ? 23.29278 -9.24705 41.58770 1.000 69.17056 N ? A ? 91 N 1
   ATOM 744 CA . LEU A 111 ? 23.97733 -8.09895 42.16054 1.000 81.50754 C ? A ? 91 CA 1
   ATOM 745 C . LEU A 111 ? 24.23154 -8.30387 43.65378 1.000 87.14979 C ? A ? 91 C 1
   ATOM 746 O . LEU A 111 ? 24.12495 -7.37498 44.45619 1.000 82.51850 O ? A ? 91 O 1
   ATOM 747 CB . LEU A 111 ? 23.17901 -6.82916 41.90079 1.000 81.04864 C ? A ? 91 CB 1
   ATOM 748 CG . LEU A 111 ? 22.97110 -6.58559 40.40484 1.000 82.59123 C ? A ? 91 CG 1
   ATOM 749 CD1 . LEU A 111 ? 21.81192 -5.63559 40.17721 1.000 87.81692 C ? A ? 91 CD1 1
   ATOM 750 CD2 . LEU A 111 ? 24.24309 -6.04123 39.76722 1.000 83.78917 C ? A ? 91 CD2 1
   ATOM 751 N . VAL A 112 ? 24.57701 -9.53547 44.03011 1.000 96.44656 N ? A ? 92 N 1
   ATOM 752 CA . VAL A 112 ? 24.94668 -9.89579 45.39382 1.000 92.48786 C ? A ? 92 CA 1
   ATOM 753 C . VAL A 112 ? 26.36156 -10.46047 45.35428 1.000 98.39980 C ? A ? 92 C 1
   ATOM 754 O . VAL A 112 ? 26.64586 -11.32409 44.52184 1.000 91.94462 O ? A ? 92 O 1
   ATOM 755 CB . VAL A 112 ? 23.98652 -10.92850 46.01616 1.000 81.32510 C ? A ? 92 CB 1
   ATOM 756 CG1 . VAL A 112 ? 24.57803 -11.52115 47.29733 1.000 51.80187 C ? A ? 92 CG1 1
   ATOM 757 CG2 . VAL A 112 ? 22.61827 -10.31281 46.27838 1.000 77.89144 C ? A ? 92 CG2 1
   ATOM 758 N . PRO A 113 ? 27.27562 -10.01816 46.23800 1.000 103.03206 N ? A ? 93 N 1
   ATOM 759 CA . PRO A 113 ? 28.66946 -10.48651 46.28767 1.000 96.94563 C ? A ? 93 CA 1
   ATOM 760 C . PRO A 113 ? 28.80328 -12.00065 46.38782 1.000 83.10240 C ? A ? 93 C 1
   ATOM 761 O . PRO A 113 ? 29.91022 -12.48242 46.62864 1.000 89.19266 O ? A ? 93 O 1
   ATOM 762 CB . PRO A 113 ? 29.21770 -9.82354 47.55662 1.000 102.55483 C ? A ? 93 CB 1
   ATOM 763 CG . PRO A 113 ? 28.37508 -8.61527 47.74369 1.000 107.40748 C ? A ? 93 CG 1
   ATOM 764 CD . PRO A 113 ? 27.00367 -8.99085 47.26085 1.000 104.88050 C ? A ? 93 CD 1
   ATOM 765 N . ALA B 19 ? -19.61861 -7.92022 -43.86764 1.000 92.93246 N ? B ? 1 N 1
   ATOM 766 CA . ALA B 19 ? -18.23930 -8.21507 -43.48800 1.000 95.16697 C ? B ? 1 CA 1
   ATOM 767 C . ALA B 19 ? -17.75446 -7.27019 -42.38585 1.000 78.50859 C ? B ? 1 C 1
   ATOM 768 O . ALA B 19 ? -17.29484 -7.72045 -41.34548 1.000 60.26726 O ? B ? 1 O 1
   ATOM 769 CB . ALA B 19 ? -17.31791 -8.14030 -44.70674 1.000 89.63593 C ? B ? 1 CB 1
   ATOM 770 N . LYS B 20 ? -17.85600 -5.95844 -42.60666 1.000 76.26854 N ? B ? 2 N 1
   ATOM 771 CA . LYS B 20 ? -17.41548 -5.01982 -41.58139 1.000 69.45486 C ? B ? 2 CA 1
   ATOM 772 C . LYS B 20 ? -18.28354 -5.13115 -40.33772 1.000 64.43277 C ? B ? 2 C 1
   ATOM 773 O . LYS B 20 ? -17.78138 -5.17321 -39.20838 1.000 49.04676 O ? B ? 2 O 1
   ATOM 774 CB . LYS B 20 ? -17.44051 -3.59512 -42.12954 1.000 76.82485 C ? B ? 2 CB 1
   ATOM 775 CG . LYS B 20 ? -16.07881 -2.97653 -42.21979 1.000 79.49475 C ? B ? 2 CG 1
   ATOM 776 CD . LYS B 20 ? -15.09981 -3.96501 -42.78234 1.000 84.89966 C ? B ? 2 CD 1
   ATOM 777 CE . LYS B 20 ? -13.71796 -3.71739 -42.22260 1.000 91.67472 C ? B ? 2 CE 1
   ATOM 778 NZ . LYS B 20 ? -12.77261 -4.72490 -42.77341 1.000 91.14602 N ? B ? 2 NZ 1
   ATOM 779 N . ASP B 21 ? -19.59437 -5.19155 -40.53007 1.000 62.52600 N ? B ? 3 N 1
   ATOM 780 CA . ASP B 21 ? -20.50823 -5.27661 -39.40039 1.000 60.36087 C ? B ? 3 CA 1
   ATOM 781 C . ASP B 21 ? -20.37917 -6.62244 -38.68315 1.000 63.36973 C ? B ? 3 C 1
   ATOM 782 O . ASP B 21 ? -20.39456 -6.68714 -37.44177 1.000 43.71994 O ? B ? 3 O 1
   ATOM 783 CB . ASP B 21 ? -21.92625 -5.03450 -39.91537 1.000 81.38800 C ? B ? 3 CB 1
   ATOM 784 CG . ASP B 21 ? -22.97751 -5.63708 -39.03607 1.000 93.00116 C ? B ? 3 CG 1
   ATOM 785 OD1 . ASP B 21 ? -23.28613 -5.02502 -37.99260 1.000 103.75398 O ? B ? 3 OD1 1
   ATOM 786 OD2 . ASP B 21 ? -23.49843 -6.71795 -39.39574 1.000 99.90150 O ? B ? 3 OD2 1
   ATOM 787 N . LYS B 22 ? -20.20894 -7.70238 -39.44790 1.000 52.97674 N ? B ? 4 N 1
   ATOM 788 CA . LYS B 22 ? -20.10155 -9.02085 -38.83624 1.000 56.35972 C ? B ? 4 CA 1
   ATOM 789 C . LYS B 22 ? -18.77339 -9.18788 -38.11636 1.000 50.92046 C ? B ? 4 C 1
   ATOM 790 O . LYS B 22 ? -18.72730 -9.79516 -37.03949 1.000 40.08026 O ? B ? 4 O 1
   ATOM 791 CB . LYS B 22 ? -20.28083 -10.10832 -39.89225 1.000 64.02335 C ? B ? 4 CB 1
   ATOM 792 CG . LYS B 22 ? -20.31233 -11.52289 -39.33325 1.000 67.97159 C ? B ? 4 CG 1
   ATOM 793 CD . LYS B 22 ? -21.46157 -11.71660 -38.34201 1.000 69.76064 C ? B ? 4 CD 1
   ATOM 794 CE . LYS B 22 ? -22.80180 -11.29796 -38.93718 1.000 72.39757 C ? B ? 4 CE 1
   ATOM 795 NZ . LYS B 22 ? -23.91186 -11.39592 -37.94345 1.000 70.38194 N ? B ? 4 NZ 1
   ATOM 796 N . GLU B 23 ? -17.68348 -8.66887 -38.70395 1.000 43.14853 N ? B ? 5 N 1
   ATOM 797 CA . GLU B 23 ? -16.39027 -8.67442 -38.04286 1.000 49.20319 C ? B ? 5 CA 1
   ATOM 798 C . GLU B 23 ? -16.47875 -8.01829 -36.68758 1.000 35.92931 C ? B ? 5 C 1
   ATOM 799 O . GLU B 23 ? -15.97403 -8.54994 -35.70349 1.000 39.14186 O ? B ? 5 O 1
   ATOM 800 CB . GLU B 23 ? -15.33906 -7.94668 -38.86999 1.000 40.75788 C ? B ? 5 CB 1
   ATOM 801 CG . GLU B 23 ? -14.02231 -7.80773 -38.12149 1.000 39.35021 C ? B ? 5 CG 1
   ATOM 802 CD . GLU B 23 ? -13.03295 -6.91494 -38.84013 1.000 53.82460 C ? B ? 5 CD 1
   ATOM 803 OE1 . GLU B 23 ? -13.36347 -5.73619 -39.09993 1.000 54.37617 O ? B ? 5 OE1 1
   ATOM 804 OE2 . GLU B 23 ? -11.92140 -7.39902 -39.14384 1.000 64.35234 O ? B ? 5 OE2 1
   ATOM 805 N . PHE B 24 ? -17.07561 -6.82270 -36.63497 1.000 29.40631 N ? B ? 6 N 1
   ATOM 806 CA . PHE B 24 ? -17.21759 -6.13957 -35.36982 1.000 34.92655 C ? B ? 6 CA 1
   ATOM 807 C . PHE B 24 ? -18.01593 -6.98622 -34.40222 1.000 36.48417 C ? B ? 6 C 1
   ATOM 808 O . PHE B 24 ? -17.64535 -7.10103 -33.25323 1.000 27.53393 O ? B ? 6 O 1
   ATOM 809 CB . PHE B 24 ? -17.89198 -4.77561 -35.53102 1.000 33.61870 C ? B ? 6 CB 1
   ATOM 810 CG . PHE B 24 ? -18.09002 -4.08633 -34.23640 1.000 27.24948 C ? B ? 6 CG 1
   ATOM 811 CD1 . PHE B 24 ? -16.99578 -3.55238 -33.55446 1.000 32.57361 C ? B ? 6 CD1 1
   ATOM 812 CD2 . PHE B 24 ? -19.32402 -4.08018 -33.61198 1.000 36.30979 C ? B ? 6 CD2 1
   ATOM 813 CE1 . PHE B 24 ? -17.16266 -2.94080 -32.31400 1.000 29.88956 C ? B ? 6 CE1 1
   ATOM 814 CE2 . PHE B 24 ? -19.48719 -3.47864 -32.34685 1.000 37.23461 C ? B ? 6 CE2 1
   ATOM 815 CZ . PHE B 24 ? -18.40091 -2.92012 -31.70600 1.000 37.73464 C ? B ? 6 CZ 1
   ATOM 816 N . GLN B 25 ? -19.13992 -7.55209 -34.83638 1.000 32.21641 N ? B ? 7 N 1
   ATOM 817 CA . GLN B 25 ? -19.97402 -8.29854 -33.89339 1.000 30.21436 C ? B ? 7 CA 1
   ATOM 818 C . GLN B 25 ? -19.25340 -9.54375 -33.37583 1.000 24.70783 C ? B ? 7 C 1
   ATOM 819 O . GLN B 25 ? -19.32730 -9.85592 -32.17865 1.000 31.56826 O ? B ? 7 O 1
   ATOM 820 CB . GLN B 25 ? -21.29112 -8.71107 -34.55290 1.000 39.68734 C ? B ? 7 CB 1
   ATOM 821 CG . GLN B 25 ? -22.20018 -7.55098 -34.88149 1.000 55.13609 C ? B ? 7 CG 1
   ATOM 822 CD . GLN B 25 ? -23.33262 -7.96944 -35.80017 1.000 64.99796 C ? B ? 7 CD 1
   ATOM 823 OE1 . GLN B 25 ? -24.04243 -7.12866 -36.34587 1.000 76.84368 O ? B ? 7 OE1 1
   ATOM 824 NE2 . GLN B 25 ? -23.50607 -9.28202 -35.97546 1.000 59.66811 N ? B ? 7 NE2 1
   ATOM 825 N . VAL B 26 ? -18.55213 -10.25807 -34.26176 1.000 30.06765 N ? B ? 8 N 1
   ATOM 826 CA . VAL B 26 ? -17.78913 -11.42001 -33.81319 1.000 35.79707 C ? B ? 8 CA 1
   ATOM 827 C . VAL B 26 ? -16.72774 -11.00618 -32.80235 1.000 34.80108 C ? B ? 8 C 1
   ATOM 828 O . VAL B 26 ? -16.56576 -11.64529 -31.75776 1.000 28.48836 O ? B ? 8 O 1
   ATOM 829 CB . VAL B 26 ? -17.16557 -12.14947 -35.01456 1.000 31.65157 C ? B ? 8 CB 1
   ATOM 830 CG1 . VAL B 26 ? -16.33298 -13.29751 -34.54736 1.000 39.51747 C ? B ? 8 CG1 1
   ATOM 831 CG2 . VAL B 26 ? -18.26073 -12.60901 -35.99330 1.000 32.89752 C ? B ? 8 CG2 1
   ATOM 832 N . LEU B 27 ? -15.96056 -9.93485 -33.10492 1.000 30.07772 N ? B ? 9 N 1
   ATOM 833 CA . LEU B 27 ? -14.93679 -9.50224 -32.16220 1.000 27.29275 C ? B ? 9 CA 1
   ATOM 834 C . LEU B 27 ? -15.53776 -9.09398 -30.83194 1.000 26.14256 C ? B ? 9 C 1
   ATOM 835 O . LEU B 27 ? -14.95633 -9.36579 -29.78857 1.000 26.91912 O ? B ? 9 O 1
   ATOM 836 CB . LEU B 27 ? -14.11711 -8.34044 -32.74024 1.000 26.46199 C ? B ? 9 CB 1
   ATOM 837 CG . LEU B 27 ? -13.12001 -8.81102 -33.80775 1.000 39.23243 C ? B ? 9 CG 1
   ATOM 838 CD1 . LEU B 27 ? -12.48776 -7.63432 -34.56399 1.000 41.43458 C ? B ? 9 CD1 1
   ATOM 839 CD2 . LEU B 27 ? -12.01986 -9.69644 -33.19343 1.000 33.57261 C ? B ? 9 CD2 1
   ATOM 840 N . PHE B 28 ? -16.68090 -8.40219 -30.85484 1.000 24.44011 N ? B ? 10 N 1
   ATOM 841 CA . PHE B 28 ? -17.35198 -8.05012 -29.60957 1.000 25.31729 C ? B ? 10 CA 1
   ATOM 842 C . PHE B 28 ? -17.70366 -9.30405 -28.81412 1.000 29.10469 C ? B ? 10 C 1
   ATOM 843 O . PHE B 28 ? -17.44545 -9.38292 -27.60218 1.000 27.71837 O ? B ? 10 O 1
   ATOM 844 CB . PHE B 28 ? -18.60458 -7.24082 -29.92661 1.000 37.14309 C ? B ? 10 CB 1
   ATOM 845 CG . PHE B 28 ? -19.45374 -7.00901 -28.74717 1.000 35.17723 C ? B ? 10 CG 1
   ATOM 846 CD1 . PHE B 28 ? -19.11985 -6.04964 -27.81417 1.000 44.22697 C ? B ? 10 CD1 1
   ATOM 847 CD2 . PHE B 28 ? -20.58195 -7.80468 -28.54088 1.000 47.34149 C ? B ? 10 CD2 1
   ATOM 848 CE1 . PHE B 28 ? -19.91437 -5.84140 -26.69646 1.000 47.01376 C ? B ? 10 CE1 1
   ATOM 849 CE2 . PHE B 28 ? -21.38044 -7.61863 -27.44732 1.000 46.29172 C ? B ? 10 CE2 1
   ATOM 850 CZ . PHE B 28 ? -21.05468 -6.63771 -26.51033 1.000 62.49031 C ? B ? 10 CZ 1
   ATOM 851 N A VAL B 29 ? -18.30130 -10.28642 -29.48282 0.753 25.15253 N ? B ? 11 N 1
   ATOM 852 CA A VAL B 29 ? -18.64883 -11.56242 -28.83765 0.753 29.22000 C ? B ? 11 CA 1
   ATOM 853 C A VAL B 29 ? -17.41073 -12.23819 -28.24104 0.753 28.83658 C ? B ? 11 C 1
   ATOM 854 O A VAL B 29 ? -17.41917 -12.64969 -27.07666 0.753 28.28484 O ? B ? 11 O 1
   ATOM 855 CB A VAL B 29 ? -19.37412 -12.48649 -29.83580 0.753 33.25941 C ? B ? 11 CB 1
   ATOM 856 CG1 A VAL B 29 ? -19.47894 -13.90635 -29.25551 0.753 32.28925 C ? B ? 11 CG1 1
   ATOM 857 CG2 A VAL B 29 ? -20.76863 -11.95026 -30.11119 0.753 32.37023 C ? B ? 11 CG2 1
   ATOM 858 N B VAL B 29 ? -18.27437 -10.30026 -29.49402 0.247 25.46688 N ? B ? 11 N 1
   ATOM 859 CA B VAL B 29 ? -18.63510 -11.56606 -28.85033 0.247 29.15635 C ? B ? 11 CA 1
   ATOM 860 C B VAL B 29 ? -17.40606 -12.23602 -28.24204 0.247 28.86762 C ? B ? 11 C 1
   ATOM 861 O B VAL B 29 ? -17.42506 -12.65708 -27.08071 0.247 28.29311 O ? B ? 11 O 1
   ATOM 862 CB B VAL B 29 ? -19.34577 -12.49474 -29.85362 0.247 33.15129 C ? B ? 11 CB 1
   ATOM 863 CG1 B VAL B 29 ? -19.41666 -13.91726 -29.29993 0.247 32.15487 C ? B ? 11 CG1 1
   ATOM 864 CG2 B VAL B 29 ? -20.74547 -11.97833 -30.14270 0.247 32.23538 C ? B ? 11 CG2 1
   ATOM 865 N . LEU B 30 ? -16.31265 -12.34000 -29.00737 1.000 25.71114 N ? B ? 12 N 1
   ATOM 866 CA . LEU B 30 ? -15.10159 -12.97607 -28.45312 1.000 28.10339 C ? B ? 12 CA 1
   ATOM 867 C . LEU B 30 ? -14.55236 -12.21495 -27.25541 1.000 30.19061 C ? B ? 12 C 1
   ATOM 868 O . LEU B 30 ? -14.06850 -12.81784 -26.28749 1.000 29.66905 O ? B ? 12 O 1
   ATOM 869 CB . LEU B 30 ? -13.99182 -13.06460 -29.49766 1.000 29.48278 C ? B ? 12 CB 1
   ATOM 870 CG . LEU B 30 ? -14.06351 -13.96919 -30.72324 1.000 38.02957 C ? B ? 12 CG 1
   ATOM 871 CD1 . LEU B 30 ? -13.14800 -13.41715 -31.79745 1.000 41.60007 C ? B ? 12 CD1 1
   ATOM 872 CD2 . LEU B 30 ? -13.61699 -15.36430 -30.34697 1.000 39.81073 C ? B ? 12 CD2 1
   ATOM 873 N A THR B 31 ? -14.54980 -10.88539 -27.33071 0.585 25.38189 N ? B ? 13 N 1
   ATOM 874 CA A THR B 31 ? -14.11570 -10.06949 -26.20651 0.585 25.81698 C ? B ? 13 CA 1
   ATOM 875 C A THR B 31 ? -14.98597 -10.29935 -24.97588 0.585 29.93680 C ? B ? 13 C 1
   ATOM 876 O A THR B 31 ? -14.46791 -10.48212 -23.86370 0.585 31.16383 O ? B ? 13 O 1
   ATOM 877 CB A THR B 31 ? -14.12345 -8.59923 -26.65522 0.585 27.90628 C ? B ? 13 CB 1
   ATOM 878 OG1 A THR B 31 ? -13.31181 -8.49888 -27.83627 0.585 24.66082 O ? B ? 13 OG1 1
   ATOM 879 CG2 A THR B 31 ? -13.54092 -7.67108 -25.60128 0.585 28.22136 C ? B ? 13 CG2 1
   ATOM 880 N B THR B 31 ? -14.55501 -10.88452 -27.32516 0.415 25.38613 N ? B ? 13 N 1
   ATOM 881 CA B THR B 31 ? -14.11789 -10.08994 -26.18629 0.415 25.81050 C ? B ? 13 CA 1
   ATOM 882 C B THR B 31 ? -14.98993 -10.33585 -24.96905 0.415 29.94454 C ? B ? 13 C 1
   ATOM 883 O B THR B 31 ? -14.47948 -10.53344 -23.85669 0.415 31.13420 O ? B ? 13 O 1
   ATOM 884 CB B THR B 31 ? -14.12497 -8.60864 -26.56720 0.415 27.89396 C ? B ? 13 CB 1
   ATOM 885 OG1 B THR B 31 ? -12.90777 -8.32723 -27.26432 0.415 23.29780 O ? B ? 13 OG1 1
   ATOM 886 CG2 B THR B 31 ? -14.23473 -7.71770 -25.33541 0.415 28.94004 C ? B ? 13 CG2 1
   ATOM 887 N . ILE B 32 ? -16.30879 -10.34197 -25.16465 1.000 31.38868 N ? B ? 14 N 1
   ATOM 888 CA . ILE B 32 ? -17.21750 -10.60192 -24.05574 1.000 31.82634 C ? B ? 14 CA 1
   ATOM 889 C . ILE B 32 ? -16.93315 -11.97189 -23.47553 1.000 31.35959 C ? B ? 14 C 1
   ATOM 890 O . ILE B 32 ? -16.66630 -12.11621 -22.27921 1.000 37.52657 O ? B ? 14 O 1
   ATOM 891 CB . ILE B 32 ? -18.68188 -10.50010 -24.51229 1.000 34.53554 C ? B ? 14 CB 1
   ATOM 892 CG1 . ILE B 32 ? -19.02205 -9.07697 -24.98152 1.000 38.00118 C ? B ? 14 CG1 1
   ATOM 893 CG2 . ILE B 32 ? -19.60952 -10.91211 -23.35664 1.000 51.77421 C ? B ? 14 CG2 1
   ATOM 894 CD1 . ILE B 32 ? -18.66535 -8.02014 -23.98962 1.000 40.11881 C ? B ? 14 CD1 1
   ATOM 895 N . LEU B 33 ? -16.87713 -12.97830 -24.34291 1.000 30.83076 N ? B ? 15 N 1
   ATOM 896 CA . LEU B 33 ? -16.59823 -14.32304 -23.85771 1.000 31.94204 C ? B ? 15 CA 1
   ATOM 897 C . LEU B 33 ? -15.26789 -14.36517 -23.13101 1.000 35.35919 C ? B ? 15 C 1
   ATOM 898 O . LEU B 33 ? -15.13294 -15.05033 -22.12383 1.000 32.71005 O ? B ? 15 O 1
   ATOM 899 CB . LEU B 33 ? -16.64106 -15.31992 -25.01450 1.000 32.42711 C ? B ? 15 CB 1
   ATOM 900 CG . LEU B 33 ? -17.98182 -15.49535 -25.74842 1.000 35.83686 C ? B ? 15 CG 1
   ATOM 901 CD1 . LEU B 33 ? -17.85635 -16.60222 -26.81822 1.000 41.16351 C ? B ? 15 CD1 1
   ATOM 902 CD2 . LEU B 33 ? -19.14613 -15.81314 -24.74279 1.000 37.97886 C ? B ? 15 CD2 1
   ATOM 903 N . THR B 34 ? -14.26382 -13.62575 -23.61114 1.000 28.67365 N ? B ? 16 N 1
   ATOM 904 CA . THR B 34 ? -12.98038 -13.64455 -22.92997 1.000 26.60421 C ? B ? 16 CA 1
   ATOM 905 C . THR B 34 ? -13.06157 -12.98212 -21.58113 1.000 32.16728 C ? B ? 16 C 1
   ATOM 906 O . THR B 34 ? -12.45765 -13.46072 -20.60658 1.000 37.39526 O ? B ? 16 O 1
   ATOM 907 CB . THR B 34 ? -11.92224 -12.95597 -23.80496 1.000 31.64865 C ? B ? 16 CB 1
   ATOM 908 OG1 . THR B 34 ? -11.81182 -13.74652 -24.98224 1.000 30.60083 O ? B ? 16 OG1 1
   ATOM 909 CG2 . THR B 34 ? -10.55914 -12.93423 -23.10697 1.000 40.40283 C ? B ? 16 CG2 1
   ATOM 910 N . LEU B 35 ? -13.82255 -11.89179 -21.48507 1.000 33.29236 N ? B ? 17 N 1
   ATOM 911 CA . LEU B 35 ? -14.00486 -11.26246 -20.19320 1.000 38.31601 C ? B ? 17 CA 1
   ATOM 912 C . LEU B 35 ? -14.83554 -12.14403 -19.25515 1.000 36.40575 C ? B ? 17 C 1
   ATOM 913 O . LEU B 35 ? -14.55637 -12.19700 -18.05101 1.000 43.01587 O ? B ? 17 O 1
   ATOM 914 CB . LEU B 35 ? -14.63550 -9.88152 -20.38538 1.000 35.90615 C ? B ? 17 CB 1
   ATOM 915 CG . LEU B 35 ? -13.69352 -8.88297 -21.10977 1.000 35.22600 C ? B ? 17 CG 1
   ATOM 916 CD1 . LEU B 35 ? -14.41716 -7.57256 -21.46131 1.000 33.40182 C ? B ? 17 CD1 1
   ATOM 917 CD2 . LEU B 35 ? -12.46500 -8.60663 -20.25186 1.000 37.01302 C ? B ? 17 CD2 1
   ATOM 918 N . ILE B 36 ? -15.86142 -12.82741 -19.77738 1.000 38.24751 N ? B ? 18 N 1
   ATOM 919 CA . ILE B 36 ? -16.67032 -13.71431 -18.92517 1.000 33.16500 C ? B ? 18 CA 1
   ATOM 920 C . ILE B 36 ? -15.78527 -14.81538 -18.35556 1.000 47.32346 C ? B ? 18 C 1
   ATOM 921 O . ILE B 36 ? -15.91956 -15.20325 -17.18567 1.000 50.17990 O ? B ? 18 O 1
   ATOM 922 CB . ILE B 36 ? -17.86003 -14.30292 -19.71535 1.000 35.71740 C ? B ? 18 CB 1
   ATOM 923 CG1 . ILE B 36 ? -18.98438 -13.27623 -19.93761 1.000 30.00449 C ? B ? 18 CG1 1
   ATOM 924 CG2 . ILE B 36 ? -18.45721 -15.53612 -19.02280 1.000 46.08701 C ? B ? 18 CG2 1
   ATOM 925 CD1 . ILE B 36 ? -19.92432 -13.79418 -20.98476 1.000 31.96055 C ? B ? 18 CD1 1
   ATOM 926 N . SER B 37 ? -14.83453 -15.30255 -19.16259 1.000 48.19583 N ? B ? 19 N 1
   ATOM 927 CA . SER B 37 ? -13.93250 -16.35280 -18.69986 1.000 49.43104 C ? B ? 19 CA 1
   ATOM 928 C . SER B 37 ? -13.06628 -15.87388 -17.54733 1.000 48.09503 C ? B ? 19 C 1
   ATOM 929 O . SER B 37 ? -12.88806 -16.59590 -16.55883 1.000 46.50061 O ? B ? 19 O 1
   ATOM 930 CB . SER B 37 ? -13.06595 -16.86416 -19.84939 1.000 41.56108 C ? B ? 19 CB 1
   ATOM 931 OG . SER B 37 ? -13.86743 -17.62224 -20.73921 1.000 55.65817 O ? B ? 19 OG 1
   ATOM 932 N . GLY B 38 ? -12.50294 -14.66347 -17.65571 1.000 42.10314 N ? B ? 20 N 1
   ATOM 933 CA . GLY B 38 ? -11.73635 -14.11079 -16.54884 1.000 34.93479 C ? B ? 20 CA 1
   ATOM 934 C . GLY B 38 ? -12.59269 -13.79545 -15.32577 1.000 43.87830 C ? B ? 20 C 1
   ATOM 935 O . GLY B 38 ? -12.13320 -13.92044 -14.18646 1.000 47.90686 O ? B ? 20 O 1
   ATOM 936 N . THR B 39 ? -13.83122 -13.36243 -15.53475 1.000 37.33983 N ? B ? 21 N 1
   ATOM 937 CA . THR B 39 ? -14.70968 -13.10071 -14.40094 1.000 46.52562 C ? B ? 21 CA 1
   ATOM 938 C . THR B 39 ? -15.00690 -14.39443 -13.63743 1.000 48.89904 C ? B ? 21 C 1
   ATOM 939 O . THR B 39 ? -14.91871 -14.43410 -12.40358 1.000 50.57744 O ? B ? 21 O 1
   ATOM 940 CB . THR B 39 ? -15.99724 -12.42870 -14.87398 1.000 50.70692 C ? B ? 21 CB 1
   ATOM 941 OG1 . THR B 39 ? -15.66521 -11.29459 -15.68611 1.000 49.27096 O ? B ? 21 OG1 1
   ATOM 942 CG2 . THR B 39 ? -16.84717 -11.94423 -13.65298 1.000 48.05190 C ? B ? 21 CG2 1
   ATOM 943 N . ILE B 40 ? -15.33347 -15.46944 -14.36047 1.000 48.62443 N ? B ? 22 N 1
   ATOM 944 CA . ILE B 40 ? -15.54818 -16.76652 -13.72000 1.000 46.15196 C ? B ? 22 CA 1
   ATOM 945 C . ILE B 40 ? -14.27829 -17.22334 -13.02685 1.000 55.16458 C ? B ? 22 C 1
   ATOM 946 O . ILE B 40 ? -14.33540 -17.86823 -11.97587 1.000 54.64148 O ? B ? 22 O 1
   ATOM 947 CB . ILE B 40 ? -16.02214 -17.83208 -14.72969 1.000 49.50435 C ? B ? 22 CB 1
   ATOM 948 CG1 . ILE B 40 ? -17.31309 -17.43812 -15.42618 1.000 42.64434 C ? B ? 22 CG1 1
   ATOM 949 CG2 . ILE B 40 ? -16.24822 -19.17547 -14.03735 1.000 50.32633 C ? B ? 22 CG2 1
   ATOM 950 CD1 . ILE B 40 ? -17.61524 -18.38543 -16.58126 1.000 47.34925 C ? B ? 22 CD1 1
   ATOM 951 N . PHE B 41 ? -13.11092 -16.88237 -13.57739 1.000 53.95721 N ? B ? 23 N 1
   ATOM 952 CA . PHE B 41 ? -11.86724 -17.37781 -12.99750 1.000 43.06624 C ? B ? 23 CA 1
   ATOM 953 C . PHE B 41 ? -11.49659 -16.64810 -11.71802 1.000 57.11638 C ? B ? 23 C 1
   ATOM 954 O . PHE B 41 ? -11.18378 -17.28629 -10.70285 1.000 62.97230 O ? B ? 23 O 1
   ATOM 955 CB . PHE B 41 ? -10.70192 -17.27101 -13.96757 1.000 59.50988 C ? B ? 23 CB 1
   ATOM 956 CG . PHE B 41 ? -9.46338 -17.89579 -13.42602 1.000 53.74597 C ? B ? 23 CG 1
   ATOM 957 CD1 . PHE B 41 ? -8.57670 -17.16827 -12.65275 1.000 50.87437 C ? B ? 23 CD1 1
   ATOM 958 CD2 . PHE B 41 ? -9.21375 -19.23407 -13.64194 1.000 51.31430 C ? B ? 23 CD2 1
   ATOM 959 CE1 . PHE B 41 ? -7.45520 -17.76734 -12.12632 1.000 50.66107 C ? B ? 23 CE1 1
   ATOM 960 CE2 . PHE B 41 ? -8.07659 -19.83364 -13.11327 1.000 62.28338 C ? B ? 23 CE2 1
   ATOM 961 CZ . PHE B 41 ? -7.20906 -19.08674 -12.35621 1.000 47.94931 C ? B ? 23 CZ 1
   ATOM 962 N . TYR B 42 ? -11.43811 -15.31289 -11.76821 1.000 46.07493 N ? B ? 24 N 1
   ATOM 963 CA . TYR B 42 ? -10.96524 -14.54193 -10.62532 1.000 57.24050 C ? B ? 24 CA 1
   ATOM 964 C . TYR B 42 ? -11.99411 -14.48586 -9.50841 1.000 60.09882 C ? B ? 24 C 1
   ATOM 965 O . TYR B 42 ? -11.63180 -14.21053 -8.35599 1.000 58.97342 O ? B ? 24 O 1
   ATOM 966 CB . TYR B 42 ? -10.57830 -13.12309 -11.05798 1.000 49.60411 C ? B ? 24 CB 1
   ATOM 967 CG . TYR B 42 ? -9.38850 -13.14034 -11.98719 1.000 54.29324 C ? B ? 24 CG 1
   ATOM 968 CD1 . TYR B 42 ? -8.11853 -13.46491 -11.51875 1.000 39.75234 C ? B ? 24 CD1 1
   ATOM 969 CD2 . TYR B 42 ? -9.54325 -12.89315 -13.34803 1.000 52.38136 C ? B ? 24 CD2 1
   ATOM 970 CE1 . TYR B 42 ? -7.02291 -13.51406 -12.38445 1.000 51.41910 C ? B ? 24 CE1 1
   ATOM 971 CE2 . TYR B 42 ? -8.47071 -12.94264 -14.20822 1.000 45.59268 C ? B ? 24 CE2 1
   ATOM 972 CZ . TYR B 42 ? -7.21230 -13.24493 -13.73684 1.000 47.52638 C ? B ? 24 CZ 1
   ATOM 973 OH . TYR B 42 ? -6.14913 -13.28710 -14.62357 1.000 46.00356 O ? B ? 24 OH 1
   ATOM 974 N . SER B 43 ? -13.26149 -14.73233 -9.81693 1.000 56.07982 N ? B ? 25 N 1
   ATOM 975 CA . SER B 43 ? -14.24096 -14.76383 -8.74626 1.000 55.97661 C ? B ? 25 CA 1
   ATOM 976 C . SER B 43 ? -14.17267 -16.07947 -7.98600 1.000 61.94195 C ? B ? 25 C 1
   ATOM 977 O . SER B 43 ? -14.39900 -16.09648 -6.77358 1.000 66.13649 O ? B ? 25 O 1
   ATOM 978 CB . SER B 43 ? -15.64216 -14.51739 -9.29587 1.000 55.75084 C ? B ? 25 CB 1
   ATOM 979 OG . SER B 43 ? -16.11281 -15.64241 -10.01366 1.000 59.30734 O ? B ? 25 OG 1
   ATOM 980 N A THR B 44 ? -13.84349 -17.17975 -8.66012 0.873 61.43886 N ? B ? 26 N 1
   ATOM 981 CA A THR B 44 ? -13.75591 -18.45611 -7.96137 0.873 62.31089 C ? B ? 26 CA 1
   ATOM 982 C A THR B 44 ? -12.34257 -18.71523 -7.44135 0.873 63.72871 C ? B ? 26 C 1
   ATOM 983 O A THR B 44 ? -12.12749 -18.76639 -6.22685 0.873 67.47467 O ? B ? 26 O 1
   ATOM 984 CB A THR B 44 ? -14.24643 -19.59376 -8.86302 0.873 61.43113 C ? B ? 26 CB 1
   ATOM 985 OG1 A THR B 44 ? -13.39082 -19.73551 -9.99681 0.873 61.59899 O ? B ? 26 OG1 1
   ATOM 986 CG2 A THR B 44 ? -15.66729 -19.31804 -9.33429 0.873 61.76240 C ? B ? 26 CG2 1
   ATOM 987 N B THR B 44 ? -13.84189 -17.17650 -8.66910 0.127 61.35966 N ? B ? 26 N 1
   ATOM 988 CA B THR B 44 ? -13.76081 -18.49319 -8.04254 0.127 62.27254 C ? B ? 26 CA 1
   ATOM 989 C B THR B 44 ? -12.37309 -18.76622 -7.46789 0.127 63.60471 C ? B ? 26 C 1
   ATOM 990 O B THR B 44 ? -12.21209 -18.90292 -6.25110 0.127 66.66329 O ? B ? 26 O 1
   ATOM 991 CB B THR B 44 ? -14.13234 -19.58259 -9.05486 0.127 61.58162 C ? B ? 26 CB 1
   ATOM 992 OG1 B THR B 44 ? -15.49393 -19.41351 -9.46704 0.127 61.59788 O ? B ? 26 OG1 1
   ATOM 993 CG2 B THR B 44 ? -13.95697 -20.96584 -8.43745 0.127 61.12745 C ? B ? 26 CG2 1
   ATOM 994 N . VAL B 45 ? -11.36340 -18.85339 -8.33698 1.000 63.94797 N ? B ? 27 N 1
   ATOM 995 CA . VAL B 45 ? -10.02259 -19.22269 -7.89798 1.000 56.59740 C ? B ? 27 CA 1
   ATOM 996 C . VAL B 45 ? -9.38743 -18.15731 -7.00998 1.000 64.12510 C ? B ? 27 C 1
   ATOM 997 O . VAL B 45 ? -8.50375 -18.47130 -6.20089 1.000 65.40151 O ? B ? 27 O 1
   ATOM 998 CB . VAL B 45 ? -9.15476 -19.54444 -9.12798 1.000 55.37371 C ? B ? 27 CB 1
   ATOM 999 CG1 . VAL B 45 ? -7.67771 -19.66520 -8.75841 1.000 59.37285 C ? B ? 27 CG1 1
   ATOM 1000 CG2 . VAL B 45 ? -9.65044 -20.82810 -9.77746 1.000 63.23395 C ? B ? 27 CG2 1
   ATOM 1001 N . GLU B 46 ? -9.84777 -16.91440 -7.08845 1.000 58.03309 N ? B ? 28 N 1
   ATOM 1002 CA . GLU B 46 ? -9.25628 -15.83529 -6.31261 1.000 62.35313 C ? B ? 28 CA 1
   ATOM 1003 C . GLU B 46 ? -10.24840 -15.16355 -5.37409 1.000 52.42675 C ? B ? 28 C 1
   ATOM 1004 O . GLU B 46 ? -9.88496 -14.18381 -4.71846 1.000 60.12085 O ? B ? 28 O 1
   ATOM 1005 CB . GLU B 46 ? -8.62491 -14.79210 -7.24926 1.000 52.67025 C ? B ? 28 CB 1
   ATOM 1006 CG . GLU B 46 ? -7.31669 -15.23418 -7.85300 1.000 60.71237 C ? B ? 28 CG 1
   ATOM 1007 CD . GLU B 46 ? -6.15312 -15.05701 -6.89185 1.000 64.78669 C ? B ? 28 CD 1
   ATOM 1008 OE1 . GLU B 46 ? -6.31083 -14.32636 -5.88747 1.000 70.55758 O ? B ? 28 OE1 1
   ATOM 1009 OE2 . GLU B 46 ? -5.08344 -15.64558 -7.13796 1.000 61.90177 O ? B ? 28 OE2 1
   ATOM 1010 N . GLY B 47 ? -11.48854 -15.64541 -5.30361 1.000 67.56517 N ? B ? 29 N 1
   ATOM 1011 CA . GLY B 47 ? -12.42246 -15.17642 -4.29415 1.000 62.42105 C ? B ? 29 CA 1
   ATOM 1012 C . GLY B 47 ? -12.96290 -13.77959 -4.48784 1.000 72.41377 C ? B ? 29 C 1
   ATOM 1013 O . GLY B 47 ? -13.48701 -13.19634 -3.53437 1.000 71.86806 O ? B ? 29 O 1
   ATOM 1014 N . LEU B 48 ? -12.85855 -13.21422 -5.69081 1.000 59.10325 N ? B ? 30 N 1
   ATOM 1015 CA . LEU B 48 ? -13.31547 -11.85053 -5.89166 1.000 57.38940 C ? B ? 30 CA 1
   ATOM 1016 C . LEU B 48 ? -14.81461 -11.82171 -6.14263 1.000 49.42502 C ? B ? 30 C 1
   ATOM 1017 O . LEU B 48 ? -15.39719 -12.79326 -6.62523 1.000 58.58885 O ? B ? 30 O 1
   ATOM 1018 CB . LEU B 48 ? -12.58064 -11.19451 -7.06808 1.000 62.24390 C ? B ? 30 CB 1
   ATOM 1019 CG . LEU B 48 ? -11.04879 -11.21462 -7.10695 1.000 52.88229 C ? B ? 30 CG 1
   ATOM 1020 CD1 . LEU B 48 ? -10.52796 -10.25507 -8.17100 1.000 54.17356 C ? B ? 30 CD1 1
   ATOM 1021 CD2 . LEU B 48 ? -10.45129 -10.86814 -5.75783 1.000 66.86716 C ? B ? 30 CD2 1
   ATOM 1022 N . ARG B 49 ? -15.43944 -10.69559 -5.80601 1.000 48.78306 N ? B ? 31 N 1
   ATOM 1023 CA . ARG B 49 ? -16.79721 -10.45236 -6.26779 1.000 61.90055 C ? B ? 31 CA 1
   ATOM 1024 C . ARG B 49 ? -16.80914 -10.41671 -7.79630 1.000 62.79605 C ? B ? 31 C 1
   ATOM 1025 O . ARG B 49 ? -15.85037 -9.94546 -8.40544 1.000 60.00970 O ? B ? 31 O 1
   ATOM 1026 CB . ARG B 49 ? -17.33239 -9.13091 -5.72357 1.000 64.29593 C ? B ? 31 CB 1
   ATOM 1027 CG . ARG B 49 ? -17.53230 -9.07352 -4.22787 1.000 71.08549 C ? B ? 31 CG 1
   ATOM 1028 CD . ARG B 49 ? -18.71539 -8.17169 -3.90128 1.000 73.58049 C ? B ? 31 CD 1
   ATOM 1029 NE . ARG B 49 ? -18.49683 -6.78058 -4.28569 1.000 61.66871 N ? B ? 31 NE 1
   ATOM 1030 CZ . ARG B 49 ? -19.41225 -6.02825 -4.88405 1.000 75.78566 C ? B ? 31 CZ 1
   ATOM 1031 NH1 . ARG B 49 ? -20.60387 -6.51174 -5.20883 1.000 79.90941 N ? B ? 31 NH1 1
   ATOM 1032 NH2 . ARG B 49 ? -19.12157 -4.76636 -5.18124 1.000 67.84680 N ? B ? 31 NH2 1
   ATOM 1033 N . PRO B 50 ? -17.85996 -10.91644 -8.44287 1.000 63.41255 N ? B ? 32 N 1
   ATOM 1034 CA . PRO B 50 ? -17.87246 -10.91135 -9.91529 1.000 58.38513 C ? B ? 32 CA 1
   ATOM 1035 C . PRO B 50 ? -17.67119 -9.53324 -10.52644 1.000 65.20420 C ? B ? 32 C 1
   ATOM 1036 O . PRO B 50 ? -17.03106 -9.44329 -11.57944 1.000 55.34205 O ? B ? 32 O 1
   ATOM 1037 CB . PRO B 50 ? -19.25138 -11.48580 -10.25415 1.000 51.65721 C ? B ? 32 CB 1
   ATOM 1038 CG . PRO B 50 ? -19.56470 -12.38169 -9.07556 1.000 71.91308 C ? B ? 32 CG 1
   ATOM 1039 CD . PRO B 50 ? -18.98269 -11.68127 -7.87502 1.000 65.82525 C ? B ? 32 CD 1
   ATOM 1040 N . ILE B 51 ? -18.19427 -8.46455 -9.91008 1.000 56.89687 N ? B ? 33 N 1
   ATOM 1041 CA . ILE B 51 ? -17.92824 -7.11412 -10.40335 1.000 63.43255 C ? B ? 33 CA 1
   ATOM 1042 C . ILE B 51 ? -16.43650 -6.82863 -10.38801 1.000 64.95815 C ? B ? 33 C 1
   ATOM 1043 O . ILE B 51 ? -15.89040 -6.22033 -11.31744 1.000 58.07822 O ? B ? 33 O 1
   ATOM 1044 CB . ILE B 51 ? -18.69162 -6.05773 -9.58302 1.000 64.56376 C ? B ? 33 CB 1
   ATOM 1045 CG1 . ILE B 51 ? -18.34027 -4.66548 -10.08758 1.000 61.96596 C ? B ? 33 CG1 1
   ATOM 1046 CG2 . ILE B 51 ? -18.30531 -6.09298 -8.12508 1.000 66.49194 C ? B ? 33 CG2 1
   ATOM 1047 CD1 . ILE B 51 ? -19.07800 -4.28990 -11.33988 1.000 72.05811 C ? B ? 33 CD1 1
   ATOM 1048 N . ASP B 52 ? -15.75654 -7.25347 -9.32851 1.000 60.91990 N ? B ? 34 N 1
   ATOM 1049 CA . ASP B 52 ? -14.34364 -6.95584 -9.18689 1.000 56.47189 C ? B ? 34 CA 1
   ATOM 1050 C . ASP B 52 ? -13.49616 -7.84884 -10.08515 1.000 58.03611 C ? B ? 34 C 1
   ATOM 1051 O . ASP B 52 ? -12.49889 -7.38957 -10.65184 1.000 54.81399 O ? B ? 34 O 1
   ATOM 1052 CB . ASP B 52 ? -13.93403 -7.08813 -7.71841 1.000 60.86594 C ? B ? 34 CB 1
   ATOM 1053 CG . ASP B 52 ? -14.56936 -6.02410 -6.84471 1.000 66.03137 C ? B ? 34 CG 1
   ATOM 1054 OD1 . ASP B 52 ? -14.50158 -4.82570 -7.20679 1.000 66.57727 O ? B ? 34 OD1 1
   ATOM 1055 OD2 . ASP B 52 ? -15.14751 -6.38787 -5.80183 1.000 65.92908 O ? B ? 34 OD2 1
   ATOM 1056 N . ALA B 53 ? -13.88171 -9.11826 -10.22961 1.000 54.23716 N ? B ? 35 N 1
   ATOM 1057 CA . ALA B 53 ? -13.23069 -9.98820 -11.20225 1.000 59.24660 C ? B ? 35 CA 1
   ATOM 1058 C . ALA B 53 ? -13.35701 -9.42384 -12.61485 1.000 48.10735 C ? B ? 35 C 1
   ATOM 1059 O . ALA B 53 ? -12.39313 -9.44602 -13.38515 1.000 52.18252 O ? B ? 35 O 1
   ATOM 1060 CB . ALA B 53 ? -13.83484 -11.39076 -11.13782 1.000 54.30471 C ? B ? 35 CB 1
   ATOM 1061 N . LEU B 54 ? -14.54703 -8.93877 -12.96911 1.000 44.40288 N ? B ? 36 N 1
   ATOM 1062 CA . LEU B 54 ? -14.75719 -8.30606 -14.26396 1.000 54.00250 C ? B ? 36 CA 1
   ATOM 1063 C . LEU B 54 ? -13.85397 -7.09004 -14.43199 1.000 59.84040 C ? B ? 36 C 1
   ATOM 1064 O . LEU B 54 ? -13.16122 -6.93774 -15.45656 1.000 45.46796 O ? B ? 36 O 1
   ATOM 1065 CB . LEU B 54 ? -16.21870 -7.91094 -14.39382 1.000 50.30158 C ? B ? 36 CB 1
   ATOM 1066 CG . LEU B 54 ? -16.44602 -7.10270 -15.65291 1.000 50.40914 C ? B ? 36 CG 1
   ATOM 1067 CD1 . LEU B 54 ? -15.96113 -7.92847 -16.85155 1.000 39.89427 C ? B ? 36 CD1 1
   ATOM 1068 CD2 . LEU B 54 ? -17.89963 -6.77494 -15.76128 1.000 48.09129 C ? B ? 36 CD2 1
   ATOM 1069 N . TYR B 55 ? -13.83008 -6.22817 -13.41216 1.000 52.38761 N ? B ? 37 N 1
   ATOM 1070 CA . TYR B 55 ? -12.98634 -5.04069 -13.43717 1.000 51.16425 C ? B ? 37 CA 1
   ATOM 1071 C . TYR B 55 ? -11.50834 -5.39301 -13.56272 1.000 55.72023 C ? B ? 37 C 1
   ATOM 1072 O . TYR B 55 ? -10.76977 -4.73564 -14.30830 1.000 50.29544 O ? B ? 37 O 1
   ATOM 1073 CB . TYR B 55 ? -13.24514 -4.21420 -12.18041 1.000 47.80840 C ? B ? 37 CB 1
   ATOM 1074 CG . TYR B 55 ? -12.50297 -2.91020 -12.12298 1.000 48.24297 C ? B ? 37 CG 1
   ATOM 1075 CD1 . TYR B 55 ? -11.33426 -2.79127 -11.39142 1.000 58.46365 C ? B ? 37 CD1 1
   ATOM 1076 CD2 . TYR B 55 ? -12.98283 -1.78783 -12.77887 1.000 49.56878 C ? B ? 37 CD2 1
   ATOM 1077 CE1 . TYR B 55 ? -10.65190 -1.59924 -11.32208 1.000 55.74290 C ? B ? 37 CE1 1
   ATOM 1078 CE2 . TYR B 55 ? -12.31290 -0.59490 -12.71107 1.000 54.46683 C ? B ? 37 CE2 1
   ATOM 1079 CZ . TYR B 55 ? -11.15085 -0.51035 -11.98711 1.000 56.16489 C ? B ? 37 CZ 1
   ATOM 1080 OH . TYR B 55 ? -10.50471 0.69364 -11.94849 1.000 72.47555 O ? B ? 37 OH 1
   ATOM 1081 N . PHE B 56 ? -11.04621 -6.41828 -12.83953 1.000 50.03573 N ? B ? 38 N 1
   ATOM 1082 CA . PHE B 56 ? -9.64594 -6.80640 -12.95590 1.000 44.92554 C ? B ? 38 CA 1
   ATOM 1083 C . PHE B 56 ? -9.31950 -7.37733 -14.33738 1.000 44.12737 C ? B ? 38 C 1
   ATOM 1084 O . PHE B 56 ? -8.23515 -7.12020 -14.86943 1.000 44.11528 O ? B ? 38 O 1
   ATOM 1085 CB . PHE B 56 ? -9.27277 -7.83141 -11.89290 1.000 37.45549 C ? B ? 38 CB 1
   ATOM 1086 CG . PHE B 56 ? -7.83864 -8.25914 -11.96107 1.000 44.46422 C ? B ? 38 CG 1
   ATOM 1087 CD1 . PHE B 56 ? -6.83384 -7.38364 -11.61986 1.000 44.02520 C ? B ? 38 CD1 1
   ATOM 1088 CD2 . PHE B 56 ? -7.49592 -9.53330 -12.37554 1.000 45.50421 C ? B ? 38 CD2 1
   ATOM 1089 CE1 . PHE B 56 ? -5.53231 -7.76648 -11.67731 1.000 44.58236 C ? B ? 38 CE1 1
   ATOM 1090 CE2 . PHE B 56 ? -6.17809 -9.92116 -12.43602 1.000 40.47931 C ? B ? 38 CE2 1
   ATOM 1091 CZ . PHE B 56 ? -5.20574 -9.04486 -12.08924 1.000 45.26102 C ? B ? 38 CZ 1
   ATOM 1092 N . SER B 57 ? -10.22035 -8.18405 -14.90882 1.000 42.35534 N ? B ? 39 N 1
   ATOM 1093 CA . SER B 57 ? -9.99202 -8.71843 -16.24836 1.000 38.55517 C ? B ? 39 CA 1
   ATOM 1094 C . SER B 57 ? -9.84269 -7.58206 -17.26409 1.000 39.81672 C ? B ? 39 C 1
   ATOM 1095 O . SER B 57 ? -8.86668 -7.53757 -18.02278 1.000 35.86052 O ? B ? 39 O 1
   ATOM 1096 CB . SER B 57 ? -11.12791 -9.66499 -16.63850 1.000 41.03580 C ? B ? 39 CB 1
   ATOM 1097 OG . SER B 57 ? -11.23852 -10.76234 -15.72279 1.000 50.29359 O ? B ? 39 OG 1
   ATOM 1098 N . VAL B 58 ? -10.77550 -6.63581 -17.24330 1.000 35.41575 N ? B ? 40 N 1
   ATOM 1099 CA . VAL B 58 ? -10.75617 -5.48894 -18.15041 1.000 44.06795 C ? B ? 40 CA 1
   ATOM 1100 C . VAL B 58 ? -9.48704 -4.66779 -17.95874 1.000 43.49185 C ? B ? 40 C 1
   ATOM 1101 O . VAL B 58 ? -8.78669 -4.32634 -18.92181 1.000 35.67336 O ? B ? 40 O 1
   ATOM 1102 CB . VAL B 58 ? -12.01449 -4.62719 -17.93863 1.000 33.52735 C ? B ? 40 CB 1
   ATOM 1103 CG1 . VAL B 58 ? -11.87852 -3.27537 -18.67829 1.000 36.43931 C ? B ? 40 CG1 1
   ATOM 1104 CG2 . VAL B 58 ? -13.23370 -5.36280 -18.40531 1.000 32.25580 C ? B ? 40 CG2 1
   ATOM 1105 N . VAL B 59 ? -9.17379 -4.32867 -16.70748 1.000 38.26328 N ? B ? 41 N 1
   ATOM 1106 CA . VAL B 59 ? -8.02412 -3.48753 -16.42846 1.000 35.71711 C ? B ? 41 CA 1
   ATOM 1107 C . VAL B 59 ? -6.70345 -4.19569 -16.78976 1.000 39.64139 C ? B ? 41 C 1
   ATOM 1108 O . VAL B 59 ? -5.71307 -3.53862 -17.10722 1.000 39.89320 O ? B ? 41 O 1
   ATOM 1109 CB . VAL B 59 ? -8.09886 -3.04825 -14.94376 1.000 49.81980 C ? B ? 41 CB 1
   ATOM 1110 CG1 . VAL B 59 ? -6.76064 -3.05348 -14.27169 1.000 50.76470 C ? B ? 41 CG1 1
   ATOM 1111 CG2 . VAL B 59 ? -8.75794 -1.68499 -14.80403 1.000 44.94878 C ? B ? 41 CG2 1
   ATOM 1112 N A THR B 60 ? -6.68112 -5.52658 -16.74009 0.703 34.92354 N ? B ? 42 N 1
   ATOM 1113 CA A THR B 60 ? -5.49668 -6.29656 -17.10059 0.703 36.12258 C ? B ? 42 CA 1
   ATOM 1114 C A THR B 60 ? -5.29860 -6.35638 -18.61857 0.703 33.88813 C ? B ? 42 C 1
   ATOM 1115 O A THR B 60 ? -4.22597 -6.00856 -19.12662 0.703 32.73705 O ? B ? 42 O 1
   ATOM 1116 CB A THR B 60 ? -5.61505 -7.70392 -16.49142 0.703 38.44101 C ? B ? 42 CB 1
   ATOM 1117 OG1 A THR B 60 ? -5.52052 -7.59544 -15.05605 0.703 41.36029 O ? B ? 42 OG1 1
   ATOM 1118 CG2 A THR B 60 ? -4.53834 -8.65693 -17.01079 0.703 38.68138 C ? B ? 42 CG2 1
   ATOM 1119 N B THR B 60 ? -6.66052 -5.53463 -16.77421 0.297 35.00786 N ? B ? 42 N 1
   ATOM 1120 CA B THR B 60 ? -5.40882 -6.20605 -17.12899 0.297 36.12718 C ? B ? 42 CA 1
   ATOM 1121 C B THR B 60 ? -5.25174 -6.44965 -18.63170 0.297 33.95035 C ? B ? 42 C 1
   ATOM 1122 O B THR B 60 ? -4.13276 -6.35348 -19.14878 0.297 33.39048 O ? B ? 42 O 1
   ATOM 1123 CB B THR B 60 ? -5.24915 -7.53969 -16.37577 0.297 39.04213 C ? B ? 42 CB 1
   ATOM 1124 OG1 B THR B 60 ? -3.94176 -8.07272 -16.62812 0.297 38.76928 O ? B ? 42 OG1 1
   ATOM 1125 CG2 B THR B 60 ? -6.26509 -8.57080 -16.81137 0.297 34.18390 C ? B ? 42 CG2 1
   ATOM 1126 N . LEU B 61 ? -6.32786 -6.76054 -19.35738 1.000 31.76404 N ? B ? 43 N 1
   ATOM 1127 CA . LEU B 61 ? -6.16107 -7.01404 -20.79585 1.000 36.71386 C ? B ? 43 CA 1
   ATOM 1128 C . LEU B 61 ? -6.01443 -5.72192 -21.60282 1.000 35.46694 C ? B ? 43 C 1
   ATOM 1129 O . LEU B 61 ? -5.55248 -5.78601 -22.76027 1.000 31.65039 O ? B ? 43 O 1
   ATOM 1130 CB . LEU B 61 ? -7.32885 -7.82779 -21.35761 1.000 32.20414 C ? B ? 43 CB 1
   ATOM 1131 CG . LEU B 61 ? -7.38946 -9.27766 -20.84289 1.000 30.59179 C ? B ? 43 CG 1
   ATOM 1132 CD1 . LEU B 61 ? -8.44740 -10.06638 -21.57026 1.000 35.38970 C ? B ? 43 CD1 1
   ATOM 1133 CD2 . LEU B 61 ? -5.95891 -9.94667 -20.95655 1.000 29.63553 C ? B ? 43 CD2 1
   ATOM 1134 N . THR B 62 ? -6.46081 -4.58357 -21.06012 1.000 32.18399 N ? B ? 44 N 1
   ATOM 1135 CA . THR B 62 ? -6.24094 -3.26917 -21.69874 1.000 30.28723 C ? B ? 44 CA 1
   ATOM 1136 C . THR B 62 ? -4.86842 -2.68470 -21.36475 1.000 34.60904 C ? B ? 44 C 1
   ATOM 1137 O . THR B 62 ? -4.50586 -1.61628 -21.89708 1.000 34.20948 O ? B ? 44 O 1
   ATOM 1138 CB . THR B 62 ? -7.35410 -2.28589 -21.31547 1.000 35.91936 C ? B ? 44 CB 1
   ATOM 1139 OG1 . THR B 62 ? -7.40380 -2.13846 -19.88306 1.000 34.86654 O ? B ? 44 OG1 1
   ATOM 1140 CG2 . THR B 62 ? -8.71765 -2.79248 -21.83287 1.000 33.48422 C ? B ? 44 CG2 1
   ATOM 1141 N . THR B 63 ? -4.10198 -3.38744 -20.53685 1.000 32.00618 N ? B ? 45 N 1
   ATOM 1142 CA . THR B 63 ? -2.81687 -3.03665 -19.92760 1.000 30.72109 C ? B ? 45 CA 1
   ATOM 1143 C . THR B 63 ? -2.86970 -1.85056 -18.96971 1.000 35.52514 C ? B ? 45 C 1
   ATOM 1144 O . THR B 63 ? -1.81989 -1.37309 -18.56329 1.000 35.50702 O ? B ? 45 O 1
   ATOM 1145 CB . THR B 63 ? -1.70834 -2.79180 -20.97484 1.000 36.98009 C ? B ? 45 CB 1
   ATOM 1146 OG1 . THR B 63 ? -1.86692 -1.50704 -21.58099 1.000 33.37856 O ? B ? 45 OG1 1
   ATOM 1147 CG2 . THR B 63 ? -1.78554 -3.84864 -22.04942 1.000 29.24724 C ? B ? 45 CG2 1
   ATOM 1148 N . VAL B 64 ? -4.04658 -1.38497 -18.54672 1.000 36.54290 N ? B ? 46 N 1
   ATOM 1149 CA . VAL B 64 ? -4.04784 -0.29569 -17.56256 1.000 37.26343 C ? B ? 46 CA 1
   ATOM 1150 C . VAL B 64 ? -3.39615 -0.75642 -16.24759 1.000 26.99515 C ? B ? 46 C 1
   ATOM 1151 O . VAL B 64 ? -2.57271 -0.04690 -15.65018 1.000 34.86666 O ? B ? 46 O 1
   ATOM 1152 CB . VAL B 64 ? -5.48342 0.21720 -17.33165 1.000 41.63984 C ? B ? 46 CB 1
   ATOM 1153 CG1 . VAL B 64 ? -5.49549 1.24320 -16.20776 1.000 35.08322 C ? B ? 46 CG1 1
   ATOM 1154 CG2 . VAL B 64 ? -6.09515 0.82124 -18.64168 1.000 34.51361 C ? B ? 46 CG2 1
   ATOM 1155 N . GLY B 65 ? -3.83099 -1.89815 -15.74130 1.000 43.89208 N ? B ? 47 N 1
   ATOM 1156 CA . GLY B 65 ? -3.21155 -2.56221 -14.60340 1.000 44.61822 C ? B ? 47 CA 1
   ATOM 1157 C . GLY B 65 ? -3.00161 -1.78071 -13.31119 1.000 60.17882 C ? B ? 47 C 1
   ATOM 1158 O . GLY B 65 ? -1.85194 -1.52447 -12.94018 1.000 60.08286 O ? B ? 47 O 1
   ATOM 1159 N . TYR B 66 ? -4.07152 -1.42867 -12.59192 1.000 55.42874 N ? B ? 48 N 1
   ATOM 1160 CA . TYR B 66 ? -3.90393 -0.65890 -11.35484 1.000 71.50765 C ? B ? 48 CA 1
   ATOM 1161 C . TYR B 66 ? -3.09862 -1.42553 -10.31268 1.000 70.60595 C ? B ? 48 C 1
   ATOM 1162 O . TYR B 66 ? -2.13404 -0.89811 -9.75108 1.000 70.28149 O ? B ? 48 O 1
   ATOM 1163 CB . TYR B 66 ? -5.25533 -0.26347 -10.76574 1.000 68.62304 C ? B ? 48 CB 1
   ATOM 1164 CG . TYR B 66 ? -6.01725 0.68672 -11.63684 1.000 72.64706 C ? B ? 48 CG 1
   ATOM 1165 CD1 . TYR B 66 ? -5.50687 1.94213 -11.95091 1.000 63.78774 C ? B ? 48 CD1 1
   ATOM 1166 CD2 . TYR B 66 ? -7.24184 0.32452 -12.15864 1.000 69.23993 C ? B ? 48 CD2 1
   ATOM 1167 CE1 . TYR B 66 ? -6.21002 2.80711 -12.76186 1.000 63.82015 C ? B ? 48 CE1 1
   ATOM 1168 CE2 . TYR B 66 ? -7.93678 1.16629 -12.96144 1.000 66.03528 C ? B ? 48 CE2 1
   ATOM 1169 CZ . TYR B 66 ? -7.43687 2.40595 -13.26096 1.000 71.63770 C ? B ? 48 CZ 1
   ATOM 1170 OH . TYR B 66 ? -8.19777 3.21296 -14.07042 1.000 61.33428 O ? B ? 48 OH 1
   ATOM 1171 N . GLY B 67 ? -3.47969 -2.66659 -10.03686 1.000 65.88863 N ? B ? 49 N 1
   ATOM 1172 CA . GLY B 67 ? -2.88636 -3.39941 -8.94289 1.000 76.85180 C ? B ? 49 CA 1
   ATOM 1173 C . GLY B 67 ? -3.61647 -3.24122 -7.63235 1.000 81.38331 C ? B ? 49 C 1
   ATOM 1174 O . GLY B 67 ? -3.11731 -3.71065 -6.60353 1.000 87.90760 O ? B ? 49 O 1
   ATOM 1175 N . ASP B 68 ? -4.77877 -2.57855 -7.63622 1.000 81.00977 N ? B ? 50 N 1
   ATOM 1176 CA . ASP B 68 ? -5.65676 -2.59535 -6.47182 1.000 85.32213 C ? B ? 50 CA 1
   ATOM 1177 C . ASP B 68 ? -5.91153 -4.01989 -6.00363 1.000 77.41371 C ? B ? 50 C 1
   ATOM 1178 O . ASP B 68 ? -6.18943 -4.25039 -4.82424 1.000 87.73178 O ? B ? 50 O 1
   ATOM 1179 CB . ASP B 68 ? -6.97093 -1.87070 -6.79399 1.000 83.44008 C ? B ? 50 CB 1
   ATOM 1180 CG . ASP B 68 ? -7.53575 -2.23428 -8.17028 1.000 84.90782 C ? B ? 50 CG 1
   ATOM 1181 OD1 . ASP B 68 ? -7.21294 -3.31627 -8.70946 1.000 82.93238 O ? B ? 50 OD1 1
   ATOM 1182 OD2 . ASP B 68 ? -8.31805 -1.42717 -8.71695 1.000 78.93405 O ? B ? 50 OD2 1
   ATOM 1183 N . PHE B 69 ? -5.80630 -4.98262 -6.91047 1.000 80.60118 N ? B ? 51 N 1
   ATOM 1184 CA . PHE B 69 ? -5.65499 -6.38264 -6.56797 1.000 79.02837 C ? B ? 51 CA 1
   ATOM 1185 C . PHE B 69 ? -4.68464 -7.01729 -7.54999 1.000 75.80183 C ? B ? 51 C 1
   ATOM 1186 O . PHE B 69 ? -4.57139 -6.58132 -8.69623 1.000 76.50026 O ? B ? 51 O 1
   ATOM 1187 CB . PHE B 69 ? -6.98253 -7.13123 -6.60544 1.000 84.47942 C ? B ? 51 CB 1
   ATOM 1188 CG . PHE B 69 ? -6.82629 -8.61087 -6.49766 1.000 86.59486 C ? B ? 51 CG 1
   ATOM 1189 CD1 . PHE B 69 ? -6.47727 -9.19124 -5.28802 1.000 86.78194 C ? B ? 51 CD1 1
   ATOM 1190 CD2 . PHE B 69 ? -7.00131 -9.42191 -7.60718 1.000 73.72257 C ? B ? 51 CD2 1
   ATOM 1191 CE1 . PHE B 69 ? -6.32306 -10.55558 -5.18362 1.000 89.17842 C ? B ? 51 CE1 1
   ATOM 1192 CE2 . PHE B 69 ? -6.84815 -10.78572 -7.50981 1.000 78.35606 C ? B ? 51 CE2 1
   ATOM 1193 CZ . PHE B 69 ? -6.50835 -11.35561 -6.29842 1.000 80.82449 C ? B ? 51 CZ 1
   ATOM 1194 N . SER B 70 ? -3.97532 -8.03838 -7.08791 1.000 78.77256 N ? B ? 52 N 1
   ATOM 1195 CA . SER B 70 ? -3.08819 -8.83108 -7.92146 1.000 78.58019 C ? B ? 52 CA 1
   ATOM 1196 C . SER B 70 ? -3.23545 -10.28361 -7.50588 1.000 84.42746 C ? B ? 52 C 1
   ATOM 1197 O . SER B 70 ? -3.45213 -10.56918 -6.32169 1.000 85.47327 O ? B ? 52 O 1
   ATOM 1198 CB . SER B 70 ? -1.61944 -8.40452 -7.78138 1.000 77.31142 C ? B ? 52 CB 1
   ATOM 1199 OG . SER B 70 ? -1.08361 -8.83276 -6.53911 1.000 87.64205 O ? B ? 52 OG 1
   ATOM 1200 N . PRO B 71 ? -3.12916 -11.21859 -8.45058 1.000 77.40575 N ? B ? 53 N 1
   ATOM 1201 CA . PRO B 71 ? -3.30848 -12.63304 -8.10687 1.000 77.85855 C ? B ? 53 CA 1
   ATOM 1202 C . PRO B 71 ? -2.34120 -13.05243 -7.01386 1.000 76.14209 C ? B ? 53 C 1
   ATOM 1203 O . PRO B 71 ? -1.15891 -12.70179 -7.03235 1.000 68.76089 O ? B ? 53 O 1
   ATOM 1204 CB . PRO B 71 ? -3.02436 -13.36169 -9.42554 1.000 66.24086 C ? B ? 53 CB 1
   ATOM 1205 CG . PRO B 71 ? -3.26764 -12.35357 -10.46959 1.000 61.38193 C ? B ? 53 CG 1
   ATOM 1206 CD . PRO B 71 ? -2.86780 -11.03502 -9.88389 1.000 68.10759 C ? B ? 53 CD 1
   ATOM 1207 N . GLN B 72 ? -2.86894 -13.78898 -6.04019 1.000 80.61704 N ? B ? 54 N 1
   ATOM 1208 CA . GLN B 72 ? -2.08915 -14.21698 -4.89058 1.000 75.05741 C ? B ? 54 CA 1
   ATOM 1209 C . GLN B 72 ? -1.75798 -15.69737 -4.89658 1.000 68.83271 C ? B ? 54 C 1
   ATOM 1210 O . GLN B 72 ? -0.72941 -16.07994 -4.33669 1.000 67.31598 O ? B ? 54 O 1
   ATOM 1211 CB . GLN B 72 ? -2.82851 -13.86997 -3.59461 1.000 73.10264 C ? B ? 54 CB 1
   ATOM 1212 CG . GLN B 72 ? -3.03180 -12.37296 -3.39726 1.000 82.38180 C ? B ? 54 CG 1
   ATOM 1213 CD . GLN B 72 ? -1.72338 -11.61442 -3.21559 1.000 92.40517 C ? B ? 54 CD 1
   ATOM 1214 OE1 . GLN B 72 ? -1.33611 -10.80779 -4.06319 1.000 106.46710 O ? B ? 54 OE1 1
   ATOM 1215 NE2 . GLN B 72 ? -1.04341 -11.86256 -2.10035 1.000 88.81391 N ? B ? 54 NE2 1
   ATOM 1216 N . THR B 73 ? -2.59174 -16.53391 -5.51388 1.000 63.83183 N ? B ? 55 N 1
   ATOM 1217 CA . THR B 73 ? -2.29838 -17.95308 -5.64706 1.000 58.12473 C ? B ? 55 CA 1
   ATOM 1218 C . THR B 73 ? -1.44695 -18.19848 -6.88345 1.000 65.53637 C ? B ? 55 C 1
   ATOM 1219 O . THR B 73 ? -1.49031 -17.43441 -7.85217 1.000 63.04849 O ? B ? 55 O 1
   ATOM 1220 CB . THR B 73 ? -3.58267 -18.78072 -5.72587 1.000 68.81445 C ? B ? 55 CB 1
   ATOM 1221 OG1 . THR B 73 ? -4.29949 -18.47097 -6.92881 1.000 70.90018 O ? B ? 55 OG1 1
   ATOM 1222 CG2 . THR B 73 ? -4.47016 -18.48140 -4.53915 1.000 70.99890 C ? B ? 55 CG2 1
   ATOM 1223 N . ASP B 74 ? -0.65332 -19.26947 -6.83656 1.000 55.75772 N ? B ? 56 N 1
   ATOM 1224 CA . ASP B 74 ? 0.23745 -19.56048 -7.95480 1.000 61.68825 C ? B ? 56 CA 1
   ATOM 1225 C . ASP B 74 ? -0.54282 -19.93881 -9.20582 1.000 65.94963 C ? B ? 56 C 1
   ATOM 1226 O . ASP B 74 ? -0.10022 -19.65197 -10.32496 1.000 68.01339 O ? B ? 56 O 1
   ATOM 1227 CB . ASP B 74 ? 1.20840 -20.68159 -7.58633 1.000 72.05289 C ? B ? 56 CB 1
   ATOM 1228 CG . ASP B 74 ? 2.24115 -20.25259 -6.56121 1.000 62.72177 C ? B ? 56 CG 1
   ATOM 1229 OD1 . ASP B 74 ? 2.08118 -19.17178 -5.96234 1.000 64.08198 O ? B ? 56 OD1 1
   ATOM 1230 OD2 . ASP B 74 ? 3.21867 -21.00158 -6.36305 1.000 77.25549 O ? B ? 56 OD2 1
   ATOM 1231 N . PHE B 75 ? -1.68430 -20.60651 -9.03692 1.000 62.34898 N ? B ? 57 N 1
   ATOM 1232 CA . PHE B 75 ? -2.54353 -20.93214 -10.17283 1.000 66.91475 C ? B ? 57 CA 1
   ATOM 1233 C . PHE B 75 ? -3.06225 -19.66367 -10.83923 1.000 61.11056 C ? B ? 57 C 1
   ATOM 1234 O . PHE B 75 ? -3.22002 -19.61263 -12.06761 1.000 57.71671 O ? B ? 57 O 1
   ATOM 1235 CB . PHE B 75 ? -3.69386 -21.80893 -9.67448 1.000 68.60160 C ? B ? 57 CB 1
   ATOM 1236 CG . PHE B 75 ? -4.57284 -22.35998 -10.74963 1.000 61.79714 C ? B ? 57 CG 1
   ATOM 1237 CD1 . PHE B 75 ? -4.03449 -22.99334 -11.85324 1.000 67.76881 C ? B ? 57 CD1 1
   ATOM 1238 CD2 . PHE B 75 ? -5.94818 -22.29865 -10.62253 1.000 69.40787 C ? B ? 57 CD2 1
   ATOM 1239 CE1 . PHE B 75 ? -4.84970 -23.52689 -12.83099 1.000 67.04395 C ? B ? 57 CE1 1
   ATOM 1240 CE2 . PHE B 75 ? -6.77466 -22.83091 -11.60095 1.000 66.91446 C ? B ? 57 CE2 1
   ATOM 1241 CZ . PHE B 75 ? -6.22118 -23.44279 -12.70585 1.000 69.97474 C ? B ? 57 CZ 1
   ATOM 1242 N . GLY B 76 ? -3.31171 -18.63236 -10.03336 1.000 58.57454 N ? B ? 58 N 1
   ATOM 1243 CA . GLY B 76 ? -3.80509 -17.37918 -10.56092 1.000 57.01546 C ? B ? 58 CA 1
   ATOM 1244 C . GLY B 76 ? -2.73219 -16.60469 -11.29068 1.000 60.76373 C ? B ? 58 C 1
   ATOM 1245 O . GLY B 76 ? -3.00773 -15.97707 -12.30742 1.000 58.00354 O ? B ? 58 O 1
   ATOM 1246 N . LYS B 77 ? -1.50033 -16.62501 -10.77659 1.000 54.18786 N ? B ? 59 N 1
   ATOM 1247 CA . LYS B 77 ? -0.39863 -15.97207 -11.47735 1.000 56.38164 C ? B ? 59 CA 1
   ATOM 1248 C . LYS B 77 ? -0.09351 -16.65897 -12.80920 1.000 59.28028 C ? B ? 59 C 1
   ATOM 1249 O . LYS B 77 ? 0.18529 -15.98707 -13.81737 1.000 46.43645 O ? B ? 59 O 1
   ATOM 1250 CB . LYS B 77 ? 0.83760 -15.93519 -10.57599 1.000 53.85828 C ? B ? 59 CB 1
   ATOM 1251 CG . LYS B 77 ? 0.71393 -14.92802 -9.46222 1.000 45.52364 C ? B ? 59 CG 1
   ATOM 1252 CD . LYS B 77 ? 1.90923 -14.95970 -8.52648 1.000 49.19224 C ? B ? 59 CD 1
   ATOM 1253 CE . LYS B 77 ? 1.52294 -14.40854 -7.14421 1.000 56.05029 C ? B ? 59 CE 1
   ATOM 1254 NZ . LYS B 77 ? 2.37047 -14.96255 -6.03015 1.000 56.65077 N ? B ? 59 NZ 1
   ATOM 1255 N . ILE B 78 ? -0.14915 -17.99468 -12.83055 1.000 49.51762 N ? B ? 60 N 1
   ATOM 1256 CA . ILE B 78 ? 0.07613 -18.75996 -14.05808 1.000 52.47975 C ? B ? 60 CA 1
   ATOM 1257 C . ILE B 78 ? -1.01218 -18.46910 -15.08217 1.000 55.23294 C ? B ? 60 C 1
   ATOM 1258 O . ILE B 78 ? -0.73053 -18.25608 -16.27229 1.000 47.54317 O ? B ? 60 O 1
   ATOM 1259 CB . ILE B 78 ? 0.14715 -20.26450 -13.73494 1.000 49.77396 C ? B ? 60 CB 1
   ATOM 1260 CG1 . ILE B 78 ? 1.46594 -20.58241 -13.03707 1.000 52.99353 C ? B ? 60 CG1 1
   ATOM 1261 CG2 . ILE B 78 ? 0.00846 -21.11251 -15.00591 1.000 52.00010 C ? B ? 60 CG2 1
   ATOM 1262 CD1 . ILE B 78 ? 2.63308 -20.69538 -14.00251 1.000 58.15156 C ? B ? 60 CD1 1
   ATOM 1263 N . PHE B 79 ? -2.27359 -18.49126 -14.63343 1.000 45.57173 N ? B ? 61 N 1
   ATOM 1264 CA . PHE B 79 ? -3.40964 -18.20514 -15.51003 1.000 54.47186 C ? B ? 61 CA 1
   ATOM 1265 C . PHE B 79 ? -3.32869 -16.79737 -16.08314 1.000 48.63310 C ? B ? 61 C 1
   ATOM 1266 O . PHE B 79 ? -3.65013 -16.57892 -17.25690 1.000 47.19257 O ? B ? 61 O 1
   ATOM 1267 CB . PHE B 79 ? -4.72146 -18.37910 -14.74101 1.000 49.57741 C ? B ? 61 CB 1
   ATOM 1268 CG . PHE B 79 ? -5.92608 -17.87027 -15.46966 1.000 48.13012 C ? B ? 61 CG 1
   ATOM 1269 CD1 . PHE B 79 ? -6.59690 -18.68199 -16.36206 1.000 49.73574 C ? B ? 61 CD1 1
   ATOM 1270 CD2 . PHE B 79 ? -6.38317 -16.56579 -15.27190 1.000 45.85439 C ? B ? 61 CD2 1
   ATOM 1271 CE1 . PHE B 79 ? -7.71236 -18.20718 -17.04337 1.000 51.20294 C ? B ? 61 CE1 1
   ATOM 1272 CE2 . PHE B 79 ? -7.49099 -16.08391 -15.94470 1.000 44.37951 C ? B ? 61 CE2 1
   ATOM 1273 CZ . PHE B 79 ? -8.15907 -16.90775 -16.83083 1.000 40.98218 C ? B ? 61 CZ 1
   ATOM 1274 N . THR B 80 ? -2.92531 -15.83477 -15.25476 1.000 39.44116 N ? B ? 62 N 1
   ATOM 1275 CA . THR B 80 ? -2.82730 -14.43571 -15.66148 1.000 50.92413 C ? B ? 62 CA 1
   ATOM 1276 C . THR B 80 ? -1.78442 -14.25295 -16.76417 1.000 51.89736 C ? B ? 62 C 1
   ATOM 1277 O . THR B 80 ? -2.03088 -13.52581 -17.74386 1.000 40.35373 O ? B ? 62 O 1
   ATOM 1278 CB . THR B 80 ? -2.51314 -13.57758 -14.42456 1.000 44.46769 C ? B ? 62 CB 1
   ATOM 1279 OG1 . THR B 80 ? -3.60378 -13.67774 -13.48680 1.000 47.58693 O ? B ? 62 OG1 1
   ATOM 1280 CG2 . THR B 80 ? -2.28903 -12.09050 -14.78806 1.000 45.41013 C ? B ? 62 CG2 1
   ATOM 1281 N . ILE B 81 ? -0.63643 -14.94048 -16.64463 1.000 34.94301 N ? B ? 63 N 1
   ATOM 1282 CA . ILE B 81 ? 0.38340 -14.91707 -17.69740 1.000 41.63115 C ? B ? 63 CA 1
   ATOM 1283 C . ILE B 81 ? -0.21128 -15.34117 -19.03166 1.000 42.68751 C ? B ? 63 C 1
   ATOM 1284 O . ILE B 81 ? -0.02718 -14.66955 -20.04855 1.000 42.60789 O ? B ? 63 O 1
   ATOM 1285 CB . ILE B 81 ? 1.56915 -15.82348 -17.33816 1.000 39.78755 C ? B ? 63 CB 1
   ATOM 1286 CG1 . ILE B 81 ? 2.42306 -15.18730 -16.23960 1.000 47.91357 C ? B ? 63 CG1 1
   ATOM 1287 CG2 . ILE B 81 ? 2.38201 -16.13315 -18.60941 1.000 48.39929 C ? B ? 63 CG2 1
   ATOM 1288 CD1 . ILE B 81 ? 3.52420 -16.10304 -15.71885 1.000 50.41871 C ? B ? 63 CD1 1
   ATOM 1289 N . LEU B 82 ? -0.90733 -16.48413 -19.04551 1.000 36.80992 N ? B ? 64 N 1
   ATOM 1290 CA . LEU B 82 ? -1.50411 -16.99264 -20.27054 1.000 32.00587 C ? B ? 64 CA 1
   ATOM 1291 C . LEU B 82 ? -2.65984 -16.11042 -20.73597 1.000 38.77180 C ? B ? 64 C 1
   ATOM 1292 O . LEU B 82 ? -2.86432 -15.93350 -21.94528 1.000 35.16555 O ? B ? 64 O 1
   ATOM 1293 CB . LEU B 82 ? -1.98602 -18.42075 -20.05474 1.000 46.29547 C ? B ? 64 CB 1
   ATOM 1294 CG . LEU B 82 ? -0.89619 -19.40133 -19.61534 1.000 53.77133 C ? B ? 64 CG 1
   ATOM 1295 CD1 . LEU B 82 ? -1.53975 -20.72266 -19.17691 1.000 49.60792 C ? B ? 64 CD1 1
   ATOM 1296 CD2 . LEU B 82 ? 0.11352 -19.59886 -20.74554 1.000 48.55833 C ? B ? 64 CD2 1
   ATOM 1297 N . TYR B 83 ? -3.44122 -15.58778 -19.79602 1.000 28.58517 N ? B ? 65 N 1
   ATOM 1298 CA . TYR B 83 ? -4.60895 -14.77349 -20.11917 1.000 41.28584 C ? B ? 65 CA 1
   ATOM 1299 C . TYR B 83 ? -4.16728 -13.46933 -20.76514 1.000 35.94847 C ? B ? 65 C 1
   ATOM 1300 O . TYR B 83 ? -4.79519 -13.01437 -21.71264 1.000 33.50163 O ? B ? 65 O 1
   ATOM 1301 CB . TYR B 83 ? -5.42442 -14.50128 -18.84363 1.000 41.04558 C ? B ? 65 CB 1
   ATOM 1302 CG . TYR B 83 ? -6.77233 -13.80062 -18.93724 1.000 35.23825 C ? B ? 65 CG 1
   ATOM 1303 CD1 . TYR B 83 ? -7.83383 -14.34545 -19.65474 1.000 37.34111 C ? B ? 65 CD1 1
   ATOM 1304 CD2 . TYR B 83 ? -7.01732 -12.65474 -18.19942 1.000 37.01043 C ? B ? 65 CD2 1
   ATOM 1305 CE1 . TYR B 83 ? -9.07977 -13.71656 -19.69546 1.000 33.62985 C ? B ? 65 CE1 1
   ATOM 1306 CE2 . TYR B 83 ? -8.23872 -12.01770 -18.24280 1.000 34.01073 C ? B ? 65 CE2 1
   ATOM 1307 CZ . TYR B 83 ? -9.26431 -12.55432 -18.96809 1.000 35.34165 C ? B ? 65 CZ 1
   ATOM 1308 OH . TYR B 83 ? -10.47665 -11.90602 -18.94108 1.000 40.30828 O ? B ? 65 OH 1
   ATOM 1309 N . ILE B 84 ? -3.08826 -12.86251 -20.26000 1.000 30.88591 N ? B ? 66 N 1
   ATOM 1310 CA . ILE B 84 ? -2.55662 -11.64591 -20.88037 1.000 41.54386 C ? B ? 66 CA 1
   ATOM 1311 C . ILE B 84 ? -2.13137 -11.92868 -22.31007 1.000 36.48519 C ? B ? 66 C 1
   ATOM 1312 O . ILE B 84 ? -2.54902 -11.24176 -23.26869 1.000 35.66837 O ? B ? 66 O 1
   ATOM 1313 CB . ILE B 84 ? -1.37830 -11.09463 -20.06862 1.000 35.80335 C ? B ? 66 CB 1
   ATOM 1314 CG1 . ILE B 84 ? -1.84849 -10.48792 -18.76351 1.000 33.47519 C ? B ? 66 CG1 1
   ATOM 1315 CG2 . ILE B 84 ? -0.56404 -10.10160 -20.90678 1.000 34.54140 C ? B ? 66 CG2 1
   ATOM 1316 CD1 . ILE B 84 ? -0.71753 -10.22578 -17.80983 1.000 34.76722 C ? B ? 66 CD1 1
   ATOM 1317 N . PHE B 85 ? -1.32348 -12.97796 -22.49204 1.000 29.71758 N ? B ? 67 N 1
   ATOM 1318 CA . PHE B 85 ? -0.78683 -13.21708 -23.82622 1.000 36.09830 C ? B ? 67 CA 1
   ATOM 1319 C . PHE B 85 ? -1.87665 -13.60627 -24.81504 1.000 37.85808 C ? B ? 67 C 1
   ATOM 1320 O . PHE B 85 ? -1.80054 -13.23343 -25.99434 1.000 38.71858 O ? B ? 67 O 1
   ATOM 1321 CB . PHE B 85 ? 0.30299 -14.27995 -23.75525 1.000 37.14829 C ? B ? 67 CB 1
   ATOM 1322 CG . PHE B 85 ? 1.65976 -13.71639 -23.49037 1.000 38.22213 C ? B ? 67 CG 1
   ATOM 1323 CD1 . PHE B 85 ? 2.35810 -13.07276 -24.51620 1.000 39.59423 C ? B ? 67 CD1 1
   ATOM 1324 CD2 . PHE B 85 ? 2.23090 -13.76743 -22.23112 1.000 51.58552 C ? B ? 67 CD2 1
   ATOM 1325 CE1 . PHE B 85 ? 3.59703 -12.52709 -24.28749 1.000 39.22351 C ? B ? 67 CE1 1
   ATOM 1326 CE2 . PHE B 85 ? 3.48271 -13.21165 -22.00885 1.000 42.35959 C ? B ? 67 CE2 1
   ATOM 1327 CZ . PHE B 85 ? 4.15811 -12.59567 -23.03600 1.000 42.40493 C ? B ? 67 CZ 1
   ATOM 1328 N . ILE B 86 ? -2.91722 -14.30483 -24.36005 1.000 36.68458 N ? B ? 68 N 1
   ATOM 1329 CA . ILE B 86 ? -3.97524 -14.66564 -25.29736 1.000 35.20840 C ? B ? 68 CA 1
   ATOM 1330 C . ILE B 86 ? -4.95225 -13.51901 -25.48249 1.000 33.88058 C ? B ? 68 C 1
   ATOM 1331 O . ILE B 86 ? -5.54791 -13.37334 -26.55328 1.000 45.50287 O ? B ? 68 O 1
   ATOM 1332 CB . ILE B 86 ? -4.67966 -15.92674 -24.77468 1.000 41.01648 C ? B ? 68 CB 1
   ATOM 1333 CG1 . ILE B 86 ? -3.67031 -17.06939 -24.67147 1.000 46.73028 C ? B ? 68 CG1 1
   ATOM 1334 CG2 . ILE B 86 ? -5.78825 -16.34501 -25.68341 1.000 53.02831 C ? B ? 68 CG2 1
   ATOM 1335 CD1 . ILE B 86 ? -2.95663 -17.35904 -25.97033 1.000 65.53735 C ? B ? 68 CD1 1
   ATOM 1336 N . GLY B 87 ? -5.19424 -12.73442 -24.43918 1.000 33.49206 N ? B ? 69 N 1
   ATOM 1337 CA . GLY B 87 ? -6.27338 -11.77719 -24.46846 1.000 30.28632 C ? B ? 69 CA 1
   ATOM 1338 C . GLY B 87 ? -5.90791 -10.39869 -24.98056 1.000 32.61501 C ? B ? 69 C 1
   ATOM 1339 O . GLY B 87 ? -6.79385 -9.73913 -25.54653 1.000 28.12713 O ? B ? 69 O 1
   ATOM 1340 N . ILE B 88 ? -4.65554 -9.94193 -24.78671 1.000 26.97109 N ? B ? 70 N 1
   ATOM 1341 CA . ILE B 88 ? -4.30322 -8.56513 -25.17909 1.000 28.17599 C ? B ? 70 CA 1
   ATOM 1342 C . ILE B 88 ? -4.54094 -8.37358 -26.67783 1.000 27.30352 C ? B ? 70 C 1
   ATOM 1343 O . ILE B 88 ? -5.10880 -7.35355 -27.10389 1.000 30.14840 O ? B ? 70 O 1
   ATOM 1344 CB . ILE B 88 ? -2.85125 -8.20567 -24.80166 1.000 34.40976 C ? B ? 70 CB 1
   ATOM 1345 CG1 . ILE B 88 ? -2.76947 -7.66498 -23.37820 1.000 36.83774 C ? B ? 70 CG1 1
   ATOM 1346 CG2 . ILE B 88 ? -2.29954 -7.04062 -25.67565 1.000 36.33495 C ? B ? 70 CG2 1
   ATOM 1347 CD1 . ILE B 88 ? -1.34270 -7.25285 -22.90948 1.000 38.94986 C ? B ? 70 CD1 1
   ATOM 1348 N . GLY B 89 ? -4.15292 -9.36103 -27.49031 1.000 29.79326 N ? B ? 71 N 1
   ATOM 1349 CA . GLY B 89 ? -4.30571 -9.23930 -28.94736 1.000 39.71848 C ? B ? 71 CA 1
   ATOM 1350 C . GLY B 89 ? -5.75846 -9.11155 -29.37745 1.000 39.01128 C ? B ? 71 C 1
   ATOM 1351 O . GLY B 89 ? -6.10541 -8.26505 -30.21940 1.000 29.98534 O ? B ? 71 O 1
   ATOM 1352 N . LEU B 90 ? -6.63648 -9.89073 -28.74451 1.000 35.38065 N ? B ? 72 N 1
   ATOM 1353 CA . LEU B 90 ? -8.06597 -9.82937 -29.03927 1.000 30.38799 C ? B ? 72 CA 1
   ATOM 1354 C . LEU B 90 ? -8.66416 -8.51408 -28.58409 1.000 32.90290 C ? B ? 72 C 1
   ATOM 1355 O . LEU B 90 ? -9.44471 -7.88302 -29.30495 1.000 28.06968 O ? B ? 72 O 1
   ATOM 1356 CB . LEU B 90 ? -8.76555 -10.95902 -28.30865 1.000 25.52534 C ? B ? 72 CB 1
   ATOM 1357 CG . LEU B 90 ? -10.27648 -10.81982 -28.29593 1.000 28.24729 C ? B ? 72 CG 1
   ATOM 1358 CD1 . LEU B 90 ? -10.82067 -10.92783 -29.73784 1.000 36.24834 C ? B ? 72 CD1 1
   ATOM 1359 CD2 . LEU B 90 ? -10.79701 -11.93505 -27.41845 1.000 36.58630 C ? B ? 72 CD2 1
   ATOM 1360 N . VAL B 91 ? -8.35390 -8.11214 -27.34915 1.000 28.08877 N ? B ? 73 N 1
   ATOM 1361 CA . VAL B 91 ? -8.94566 -6.88549 -26.82263 1.000 26.19311 C ? B ? 73 CA 1
   ATOM 1362 C . VAL B 91 ? -8.48612 -5.67922 -27.63675 1.000 27.71944 C ? B ? 73 C 1
   ATOM 1363 O . VAL B 91 ? -9.27712 -4.77263 -27.93322 1.000 26.39535 O ? B ? 73 O 1
   ATOM 1364 CB . VAL B 91 ? -8.58674 -6.75574 -25.32776 1.000 25.15377 C ? B ? 73 CB 1
   ATOM 1365 CG1 . VAL B 91 ? -8.80600 -5.35259 -24.81258 1.000 31.58174 C ? B ? 73 CG1 1
   ATOM 1366 CG2 . VAL B 91 ? -9.41520 -7.80566 -24.49363 1.000 31.56982 C ? B ? 73 CG2 1
   ATOM 1367 N . PHE B 92 ? -7.21412 -5.64024 -28.04154 1.000 28.15385 N ? B ? 74 N 1
   ATOM 1368 CA . PHE B 92 ? -6.84301 -4.43852 -28.82709 1.000 27.64099 C ? B ? 74 CA 1
   ATOM 1369 C . PHE B 92 ? -7.33287 -4.50242 -30.26040 1.000 29.24333 C ? B ? 74 C 1
   ATOM 1370 O . PHE B 92 ? -7.63155 -3.43604 -30.85831 1.000 26.15337 O ? B ? 74 O 1
   ATOM 1371 CB . PHE B 92 ? -5.33454 -4.18004 -28.71702 1.000 29.75959 C ? B ? 74 CB 1
   ATOM 1372 CG . PHE B 92 ? -5.00661 -3.50010 -27.40844 1.000 40.13273 C ? B ? 74 CG 1
   ATOM 1373 CD1 . PHE B 92 ? -5.17108 -2.12207 -27.27149 1.000 40.29747 C ? B ? 74 CD1 1
   ATOM 1374 CD2 . PHE B 92 ? -4.70945 -4.24147 -26.28874 1.000 40.87022 C ? B ? 74 CD2 1
   ATOM 1375 CE1 . PHE B 92 ? -4.96902 -1.51580 -26.03577 1.000 39.79198 C ? B ? 74 CE1 1
   ATOM 1376 CE2 . PHE B 92 ? -4.49274 -3.63659 -25.07837 1.000 40.37524 C ? B ? 74 CE2 1
   ATOM 1377 CZ . PHE B 92 ? -4.60816 -2.27352 -24.95787 1.000 40.01126 C ? B ? 74 CZ 1
   ATOM 1378 N . GLY B 93 ? -7.46977 -5.71398 -30.80114 1.000 28.65094 N ? B ? 75 N 1
   ATOM 1379 CA . GLY B 93 ? -8.16467 -5.87122 -32.07717 1.000 26.27146 C ? B ? 75 CA 1
   ATOM 1380 C . GLY B 93 ? -9.59064 -5.36154 -31.99182 1.000 28.29349 C ? B ? 75 C 1
   ATOM 1381 O . GLY B 93 ? -10.08022 -4.68271 -32.89703 1.000 27.52658 O ? B ? 75 O 1
   ATOM 1382 N . PHE B 94 ? -10.27628 -5.68326 -30.89944 1.000 25.51301 N ? B ? 76 N 1
   ATOM 1383 CA . PHE B 94 ? -11.63115 -5.16618 -30.69996 1.000 28.24978 C ? B ? 76 CA 1
   ATOM 1384 C . PHE B 94 ? -11.63036 -3.64033 -30.55554 1.000 27.84639 C ? B ? 76 C 1
   ATOM 1385 O . PHE B 94 ? -12.39518 -2.94146 -31.23328 1.000 27.66643 O ? B ? 76 O 1
   ATOM 1386 CB . PHE B 94 ? -12.26357 -5.79129 -29.45169 1.000 24.18289 C ? B ? 76 CB 1
   ATOM 1387 CG . PHE B 94 ? -13.56012 -5.10251 -29.05074 1.000 25.48038 C ? B ? 76 CG 1
   ATOM 1388 CD1 . PHE B 94 ? -14.69868 -5.29636 -29.80529 1.000 30.18750 C ? B ? 76 CD1 1
   ATOM 1389 CD2 . PHE B 94 ? -13.62620 -4.25101 -27.93656 1.000 31.30990 C ? B ? 76 CD2 1
   ATOM 1390 CE1 . PHE B 94 ? -15.88382 -4.66563 -29.49677 1.000 32.84649 C ? B ? 76 CE1 1
   ATOM 1391 CE2 . PHE B 94 ? -14.87831 -3.61644 -27.60706 1.000 32.40237 C ? B ? 76 CE2 1
   ATOM 1392 CZ . PHE B 94 ? -15.98519 -3.85218 -28.39980 1.000 28.22731 C ? B ? 76 CZ 1
   ATOM 1393 N . ILE B 95 ? -10.76866 -3.09846 -29.69307 1.000 26.15251 N ? B ? 77 N 1
   ATOM 1394 CA . ILE B 95 ? -10.72293 -1.63542 -29.54226 1.000 26.17338 C ? B ? 77 CA 1
   ATOM 1395 C . ILE B 95 ? -10.43975 -0.94177 -30.86635 1.000 27.53867 C ? B ? 77 C 1
   ATOM 1396 O . ILE B 95 ? -11.03424 0.11139 -31.18165 1.000 28.50612 O ? B ? 77 O 1
   ATOM 1397 CB . ILE B 95 ? -9.68014 -1.25779 -28.50590 1.000 25.73407 C ? B ? 77 CB 1
   ATOM 1398 CG1 . ILE B 95 ? -10.19172 -1.71866 -27.14034 1.000 28.57080 C ? B ? 77 CG1 1
   ATOM 1399 CG2 . ILE B 95 ? -9.39225 0.24980 -28.54347 1.000 28.89864 C ? B ? 77 CG2 1
   ATOM 1400 CD1 . ILE B 95 ? -9.17576 -1.53243 -26.06987 1.000 33.91029 C ? B ? 77 CD1 1
   ATOM 1401 N . HIS B 96 ? -9.53460 -1.50412 -31.65983 1.000 29.00209 N ? B ? 78 N 1
   ATOM 1402 CA . HIS B 96 ? -9.23713 -0.93943 -32.97338 1.000 28.27713 C ? B ? 78 CA 1
   ATOM 1403 C . HIS B 96 ? -10.46086 -0.93621 -33.90004 1.000 35.66844 C ? B ? 78 C 1
   ATOM 1404 O . HIS B 96 ? -10.75208 0.06876 -34.56709 1.000 31.64914 O ? B ? 78 O 1
   ATOM 1405 CB . HIS B 96 ? -8.10828 -1.73031 -33.64603 1.000 29.29541 C ? B ? 78 CB 1
   ATOM 1406 CG . HIS B 96 ? -7.80393 -1.21965 -35.02185 1.000 38.66118 C ? B ? 78 CG 1
   ATOM 1407 ND1 . HIS B 96 ? -8.26528 -1.83928 -36.16038 1.000 41.30051 N ? B ? 78 ND1 1
   ATOM 1408 CD2 . HIS B 96 ? -7.12592 -0.12039 -35.43529 1.000 37.44117 C ? B ? 78 CD2 1
   ATOM 1409 CE1 . HIS B 96 ? -7.86229 -1.16148 -37.22284 1.000 52.24770 C ? B ? 78 CE1 1
   ATOM 1410 NE2 . HIS B 96 ? -7.16707 -0.11682 -36.81011 1.000 42.68822 N ? B ? 78 NE2 1
   ATOM 1411 N A LYS B 97 ? -11.17894 -2.06160 -33.96041 0.173 28.33249 N ? B ? 79 N 1
   ATOM 1412 CA A LYS B 97 ? -12.37072 -2.14252 -34.79743 0.173 29.15352 C ? B ? 79 CA 1
   ATOM 1413 C A LYS B 97 ? -13.49336 -1.26906 -34.25927 0.173 30.76904 C ? B ? 79 C 1
   ATOM 1414 O A LYS B 97 ? -14.27082 -0.71203 -35.04137 0.173 32.54622 O ? B ? 79 O 1
   ATOM 1415 CB A LYS B 97 ? -12.83605 -3.59351 -34.91688 0.173 27.86057 C ? B ? 79 CB 1
   ATOM 1416 CG A LYS B 97 ? -12.40029 -4.28025 -36.20854 0.173 33.85540 C ? B ? 79 CG 1
   ATOM 1417 CD A LYS B 97 ? -10.88588 -4.23723 -36.39244 0.173 38.50017 C ? B ? 79 CD 1
   ATOM 1418 CE A LYS B 97 ? -10.47665 -4.82770 -37.73844 0.173 47.63014 C ? B ? 79 CE 1
   ATOM 1419 NZ A LYS B 97 ? -9.00400 -4.79786 -37.95515 0.173 48.22700 N ? B ? 79 NZ 1
   ATOM 1420 N B LYS B 97 ? -11.16718 -2.06477 -33.98189 0.827 28.09598 N ? B ? 79 N 1
   ATOM 1421 CA B LYS B 97 ? -12.36968 -2.13974 -34.79850 0.827 29.00870 C ? B ? 79 CA 1
   ATOM 1422 C B LYS B 97 ? -13.47173 -1.23581 -34.25377 0.827 30.73182 C ? B ? 79 C 1
   ATOM 1423 O B LYS B 97 ? -14.21553 -0.62746 -35.02388 0.827 32.64802 O ? B ? 79 O 1
   ATOM 1424 CB B LYS B 97 ? -12.85003 -3.58580 -34.90071 0.827 27.26486 C ? B ? 79 CB 1
   ATOM 1425 CG B LYS B 97 ? -11.92448 -4.47071 -35.79825 0.827 31.94696 C ? B ? 79 CG 1
   ATOM 1426 CD B LYS B 97 ? -11.24582 -3.73037 -36.97349 0.827 41.43001 C ? B ? 79 CD 1
   ATOM 1427 CE B LYS B 97 ? -10.35138 -4.70956 -37.76569 0.827 47.85999 C ? B ? 79 CE 1
   ATOM 1428 NZ B LYS B 97 ? -9.53938 -4.12711 -38.85447 0.827 55.04485 N ? B ? 79 NZ 1
   ATOM 1429 N . LEU B 98 ? -13.60286 -1.14874 -32.93610 1.000 25.89261 N ? B ? 80 N 1
   ATOM 1430 CA . LEU B 98 ? -14.55202 -0.20197 -32.35363 1.000 26.42454 C ? B ? 80 CA 1
   ATOM 1431 C . LEU B 98 ? -14.22240 1.21630 -32.80793 1.000 32.55842 C ? B ? 80 C 1
   ATOM 1432 O . LEU B 98 ? -15.10690 1.96993 -33.25498 1.000 29.92755 O ? B ? 80 O 1
   ATOM 1433 CB . LEU B 98 ? -14.50394 -0.32625 -30.84054 1.000 24.58155 C ? B ? 80 CB 1
   ATOM 1434 CG . LEU B 98 ? -15.37251 0.66861 -30.06124 1.000 28.31282 C ? B ? 80 CG 1
   ATOM 1435 CD1 . LEU B 98 ? -16.87168 0.43574 -30.34261 1.000 34.23856 C ? B ? 80 CD1 1
   ATOM 1436 CD2 . LEU B 98 ? -15.09322 0.49696 -28.56277 1.000 28.81768 C ? B ? 80 CD2 1
   ATOM 1437 N . ALA B 99 ? -12.93433 1.57092 -32.75735 1.000 28.70710 N ? B ? 81 N 1
   ATOM 1438 CA . ALA B 99 ? -12.49726 2.91998 -33.11302 1.000 33.39311 C ? B ? 81 CA 1
   ATOM 1439 C . ALA B 99 ? -12.77275 3.22943 -34.57426 1.000 31.75088 C ? B ? 81 C 1
   ATOM 1440 O . ALA B 99 ? -13.36226 4.27748 -34.91169 1.000 34.46813 O ? B ? 81 O 1
   ATOM 1441 CB . ALA B 99 ? -11.00530 3.08471 -32.79031 1.000 33.95709 C ? B ? 81 CB 1
   ATOM 1442 N . VAL B 100 ? -12.36056 2.34052 -35.47739 1.000 30.01467 N ? B ? 82 N 1
   ATOM 1443 CA . VAL B 100 ? -12.37497 2.74408 -36.87436 1.000 35.20730 C ? B ? 82 CA 1
   ATOM 1444 C . VAL B 100 ? -13.66818 2.34275 -37.56928 1.000 38.23902 C ? B ? 82 C 1
   ATOM 1445 O . VAL B 100 ? -14.06210 2.98791 -38.55333 1.000 35.19843 O ? B ? 82 O 1
   ATOM 1446 CB . VAL B 100 ? -11.11697 2.22685 -37.59943 1.000 45.63763 C ? B ? 82 CB 1
   ATOM 1447 CG1 . VAL B 100 ? -9.88796 2.42212 -36.68755 1.000 42.26093 C ? B ? 82 CG1 1
   ATOM 1448 CG2 . VAL B 100 ? -11.27844 0.78371 -38.00075 1.000 37.35311 C ? B ? 82 CG2 1
   ATOM 1449 N . ASN B 101 ? -14.39562 1.35832 -37.05454 1.000 31.25769 N ? B ? 83 N 1
   ATOM 1450 CA . ASN B 101 ? -15.59257 0.96382 -37.75990 1.000 30.68484 C ? B ? 83 CA 1
   ATOM 1451 C . ASN B 101 ? -16.88878 1.36581 -37.05986 1.000 36.28504 C ? B ? 83 C 1
   ATOM 1452 O . ASN B 101 ? -17.95819 1.21816 -37.66657 1.000 38.85493 O ? B ? 83 O 1
   ATOM 1453 CB . ASN B 101 ? -15.55480 -0.53976 -38.05244 1.000 38.96211 C ? B ? 83 CB 1
   ATOM 1454 CG . ASN B 101 ? -14.40455 -0.89857 -39.00243 1.000 45.47541 C ? B ? 83 CG 1
   ATOM 1455 OD1 . ASN B 101 ? -13.89876 -0.04131 -39.72911 1.000 50.32277 O ? B ? 83 OD1 1
   ATOM 1456 ND2 . ASN B 101 ? -13.99815 -2.15985 -38.99820 1.000 49.14754 N ? B ? 83 ND2 1
   ATOM 1457 N . VAL B 102 ? -16.82799 1.92741 -35.84589 1.000 32.51319 N ? B ? 84 N 1
   ATOM 1458 CA . VAL B 102 ? -18.02437 2.37980 -35.14521 1.000 32.34193 C ? B ? 84 CA 1
   ATOM 1459 C . VAL B 102 ? -17.86635 3.82856 -34.70747 1.000 36.83911 C ? B ? 84 C 1
   ATOM 1460 O . VAL B 102 ? -18.70658 4.67307 -35.03179 1.000 28.84829 O ? B ? 84 O 1
   ATOM 1461 CB . VAL B 102 ? -18.35782 1.54265 -33.89515 1.000 31.21112 C ? B ? 84 CB 1
   ATOM 1462 CG1 . VAL B 102 ? -19.61143 2.06852 -33.28205 1.000 37.69443 C ? B ? 84 CG1 1
   ATOM 1463 CG2 . VAL B 102 ? -18.53026 0.06315 -34.25666 1.000 42.18464 C ? B ? 84 CG2 1
   ATOM 1464 N . GLN B 103 ? -16.83452 4.11784 -33.91592 1.000 32.11007 N ? B ? 85 N 1
   ATOM 1465 CA . GLN B 103 ? -16.66991 5.49453 -33.42590 1.000 29.42620 C ? B ? 85 CA 1
   ATOM 1466 C . GLN B 103 ? -16.39364 6.46872 -34.56461 1.000 28.84873 C ? B ? 85 C 1
   ATOM 1467 O . GLN B 103 ? -16.98856 7.56778 -34.61350 1.000 28.48748 O ? B ? 85 O 1
   ATOM 1468 CB . GLN B 103 ? -15.56388 5.56094 -32.38552 1.000 31.61200 C ? B ? 85 CB 1
   ATOM 1469 CG . GLN B 103 ? -15.88495 4.69327 -31.13051 1.000 26.10556 C ? B ? 85 CG 1
   ATOM 1470 CD . GLN B 103 ? -14.77397 4.75301 -30.13338 1.000 40.59803 C ? B ? 85 CD 1
   ATOM 1471 OE1 . GLN B 103 ? -13.65565 4.36626 -30.42335 1.000 42.33530 O ? B ? 85 OE1 1
   ATOM 1472 NE2 . GLN B 103 ? -15.07027 5.24675 -28.95590 1.000 42.00164 N ? B ? 85 NE2 1
   ATOM 1473 N . LEU B 104 ? -15.46223 6.12695 -35.46235 1.000 25.92366 N ? B ? 86 N 1
   ATOM 1474 CA . LEU B 104 ? -15.18498 7.04271 -36.57628 1.000 33.88650 C ? B ? 86 CA 1
   ATOM 1475 C . LEU B 104 ? -16.40394 7.33359 -37.46617 1.000 32.02239 C ? B ? 86 C 1
   ATOM 1476 O . LEU B 104 ? -16.66093 8.52026 -37.75439 1.000 31.61845 O ? B ? 86 O 1
   ATOM 1477 CB . LEU B 104 ? -13.98418 6.51865 -37.39471 1.000 29.77600 C ? B ? 86 CB 1
   ATOM 1478 CG . LEU B 104 ? -13.46074 7.41706 -38.51633 1.000 37.77213 C ? B ? 86 CG 1
   ATOM 1479 CD1 . LEU B 104 ? -13.15886 8.81257 -37.93875 1.000 32.74124 C ? B ? 86 CD1 1
   ATOM 1480 CD2 . LEU B 104 ? -12.20273 6.83391 -39.22187 1.000 32.94543 C ? B ? 86 CD2 1
   ATOM 1481 N . PRO B 105 ? -17.16180 6.35036 -37.97050 1.000 32.73839 N ? B ? 87 N 1
   ATOM 1482 CA . PRO B 105 ? -18.38492 6.71269 -38.72405 1.000 28.95868 C ? B ? 87 CA 1
   ATOM 1483 C . PRO B 105 ? -19.35235 7.57247 -37.91608 1.000 31.51744 C ? B ? 87 C 1
   ATOM 1484 O . PRO B 105 ? -19.94601 8.51953 -38.47201 1.000 26.75292 O ? B ? 87 O 1
   ATOM 1485 CB . PRO B 105 ? -19.01523 5.36796 -39.05697 1.000 32.77851 C ? B ? 87 CB 1
   ATOM 1486 CG . PRO B 105 ? -17.91588 4.38997 -38.94895 1.000 36.27583 C ? B ? 87 CG 1
   ATOM 1487 CD . PRO B 105 ? -16.87247 4.90264 -38.07163 1.000 33.15214 C ? B ? 87 CD 1
   ATOM 1488 N . SER B 106 ? -19.49823 7.26420 -36.61924 1.000 28.77259 N ? B ? 88 N 1
   ATOM 1489 CA . SER B 106 ? -20.38085 8.02406 -35.72446 1.000 30.62145 C ? B ? 88 CA 1
   ATOM 1490 C . SER B 106 ? -19.91519 9.46932 -35.57892 1.000 32.88097 C ? B ? 88 C 1
   ATOM 1491 O . SER B 106 ? -20.73411 10.41642 -35.56445 1.000 35.72561 O ? B ? 88 O 1
   ATOM 1492 CB . SER B 106 ? -20.43299 7.33162 -34.34348 1.000 35.16511 C ? B ? 88 CB 1
   ATOM 1493 OG . SER B 106 ? -21.11928 8.13949 -33.39515 1.000 41.32619 O ? B ? 88 OG 1
   ATOM 1494 N . ILE B 107 ? -18.60249 9.66462 -35.47083 1.000 27.96823 N ? B ? 89 N 1
   ATOM 1495 CA . ILE B 107 ? -18.02971 11.01446 -35.43239 1.000 32.88234 C ? B ? 89 CA 1
   ATOM 1496 C . ILE B 107 ? -18.33412 11.75611 -36.71547 1.000 37.73900 C ? B ? 89 C 1
   ATOM 1497 O . ILE B 107 ? -18.84428 12.88393 -36.69680 1.000 31.32341 O ? B ? 89 O 1
   ATOM 1498 CB . ILE B 107 ? -16.51418 10.93838 -35.17339 1.000 32.67578 C ? B ? 89 CB 1
   ATOM 1499 CG1 . ILE B 107 ? -16.28978 10.59140 -33.70184 1.000 35.43718 C ? B ? 89 CG1 1
   ATOM 1500 CG2 . ILE B 107 ? -15.85187 12.25101 -35.58168 1.000 39.18918 C ? B ? 89 CG2 1
   ATOM 1501 CD1 . ILE B 107 ? -14.81914 10.34856 -33.31698 1.000 43.17554 C ? B ? 89 CD1 1
   ATOM 1502 N . LEU B 108 ? -18.04341 11.11936 -37.85626 1.000 24.70706 N ? B ? 90 N 1
   ATOM 1503 CA . LEU B 108 ? -18.31881 11.73537 -39.15418 1.000 30.00224 C ? B ? 90 CA 1
   ATOM 1504 C . LEU B 108 ? -19.78581 12.11109 -39.28845 1.000 28.81627 C ? B ? 90 C 1
   ATOM 1505 O . LEU B 108 ? -20.11894 13.23059 -39.73089 1.000 30.37946 O ? B ? 90 O 1
   ATOM 1506 CB . LEU B 108 ? -17.94117 10.77486 -40.29132 1.000 29.79570 C ? B ? 90 CB 1
   ATOM 1507 CG . LEU B 108 ? -16.44646 10.52837 -40.30025 1.000 34.21686 C ? B ? 90 CG 1
   ATOM 1508 CD1 . LEU B 108 ? -16.11087 9.37565 -41.28191 1.000 36.88089 C ? B ? 90 CD1 1
   ATOM 1509 CD2 . LEU B 108 ? -15.82793 11.81444 -40.74223 1.000 36.08070 C ? B ? 90 CD2 1
   ATOM 1510 N A SER B 109 ? -20.68321 11.18089 -38.96376 0.589 27.84626 N ? B ? 91 N 1
   ATOM 1511 CA A SER B 109 ? -22.10298 11.49427 -39.06092 0.589 33.87062 C ? B ? 91 CA 1
   ATOM 1512 C A SER B 109 ? -22.46355 12.66641 -38.15040 0.589 33.01015 C ? B ? 91 C 1
   ATOM 1513 O A SER B 109 ? -23.28665 13.51094 -38.51702 0.589 33.11393 O ? B ? 91 O 1
   ATOM 1514 CB A SER B 109 ? -22.94310 10.26124 -38.71902 0.589 33.21242 C ? B ? 91 CB 1
   ATOM 1515 OG A SER B 109 ? -24.29444 10.62565 -38.47032 0.589 36.91818 O ? B ? 91 OG 1
   ATOM 1516 N B SER B 109 ? -20.68410 11.17956 -38.95574 0.411 27.85782 N ? B ? 91 N 1
   ATOM 1517 CA B SER B 109 ? -22.11161 11.47335 -39.03425 0.411 33.85371 C ? B ? 91 CA 1
   ATOM 1518 C B SER B 109 ? -22.46416 12.66275 -38.15077 0.411 32.97178 C ? B ? 91 C 1
   ATOM 1519 O B SER B 109 ? -23.29975 13.49734 -38.51469 0.411 33.03252 O ? B ? 91 O 1
   ATOM 1520 CB B SER B 109 ? -22.93391 10.25440 -38.61676 0.411 33.25610 C ? B ? 91 CB 1
   ATOM 1521 OG B SER B 109 ? -22.66119 9.13328 -39.42265 0.411 35.50046 O ? B ? 91 OG 1
   ATOM 1522 N . ASN B 110 ? -21.81768 12.76886 -37.00298 1.000 28.56012 N ? B ? 92 N 1
   ATOM 1523 CA . ASN B 110 ? -22.12259 13.84376 -36.05618 1.000 29.90643 C ? B ? 92 CA 1
   ATOM 1524 C . ASN B 110 ? -21.47472 15.18025 -36.44070 1.000 30.77388 C ? B ? 92 C 1
   ATOM 1525 O . ASN B 110 ? -21.84113 16.21462 -35.87232 1.000 32.96263 O ? B ? 92 O 1
   ATOM 1526 CB . ASN B 110 ? -21.70999 13.41510 -34.65518 1.000 26.34902 C ? B ? 92 CB 1
   ATOM 1527 CG . ASN B 110 ? -22.69789 12.41767 -34.05394 1.000 34.24637 C ? B ? 92 CG 1
   ATOM 1528 OD1 . ASN B 110 ? -23.88040 12.50097 -34.31488 1.000 39.83476 O ? B ? 92 OD1 1
   ATOM 1529 ND2 . ASN B 110 ? -22.20445 11.46128 -33.26586 1.000 42.88657 N ? B ? 92 ND2 1
   ATOM 1530 N . LEU B 111 ? -20.55646 15.20659 -37.39964 1.000 28.71741 N ? B ? 93 N 1
   ATOM 1531 CA . LEU B 111 ? -19.96536 16.45716 -37.89258 1.000 27.05383 C ? B ? 93 CA 1
   ATOM 1532 C . LEU B 111 ? -20.65671 17.03375 -39.12395 1.000 30.66685 C ? B ? 93 C 1
   ATOM 1533 O . LEU B 111 ? -20.29882 18.12862 -39.56171 1.000 31.26538 O ? B ? 93 O 1
   ATOM 1534 CB . LEU B 111 ? -18.46813 16.23438 -38.18696 1.000 23.90531 C ? B ? 93 CB 1
   ATOM 1535 CG . LEU B 111 ? -17.58611 16.09390 -36.93717 1.000 29.14136 C ? B ? 93 CG 1
   ATOM 1536 CD1 . LEU B 111 ? -16.16691 15.59341 -37.33020 1.000 32.54710 C ? B ? 93 CD1 1
   ATOM 1537 CD2 . LEU B 111 ? -17.44362 17.41246 -36.19934 1.000 34.19639 C ? B ? 93 CD2 1
   ATOM 1538 N A VAL B 112 ? -21.64448 16.35503 -39.68497 0.333 31.34444 N ? B ? 94 N 1
   ATOM 1539 CA A VAL B 112 ? -22.20998 16.84286 -40.93780 0.333 32.60113 C ? B ? 94 CA 1
   ATOM 1540 C A VAL B 112 ? -23.24586 17.93150 -40.66918 0.333 31.12640 C ? B ? 94 C 1
   ATOM 1541 O A VAL B 112 ? -24.23513 17.70716 -39.95970 0.333 26.14749 O ? B ? 94 O 1
   ATOM 1542 CB A VAL B 112 ? -22.81603 15.70469 -41.75888 0.333 33.91180 C ? B ? 94 CB 1
   ATOM 1543 CG1 A VAL B 112 ? -23.37679 16.25458 -43.03348 0.333 29.00654 C ? B ? 94 CG1 1
   ATOM 1544 CG2 A VAL B 112 ? -21.73697 14.65846 -42.06398 0.333 28.88155 C ? B ? 94 CG2 1
   ATOM 1545 N B VAL B 112 ? -21.60229 16.31300 -39.70985 0.667 31.37796 N ? B ? 94 N 1
   ATOM 1546 CA B VAL B 112 ? -22.35687 16.75220 -40.88241 0.667 33.04723 C ? B ? 94 CA 1
   ATOM 1547 C B VAL B 112 ? -23.16212 17.99683 -40.51875 0.667 31.00293 C ? B ? 94 C 1
   ATOM 1548 O B VAL B 112 ? -23.93044 17.93804 -39.55656 0.667 29.10787 O ? B ? 94 O 1
   ATOM 1549 CB B VAL B 112 ? -23.32284 15.65318 -41.34316 0.667 28.55386 C ? B ? 94 CB 1
   ATOM 1550 CG1 B VAL B 112 ? -24.35553 16.20563 -42.28907 0.667 33.09004 C ? B ? 94 CG1 1
   ATOM 1551 CG2 B VAL B 112 ? -22.54837 14.45824 -41.95665 0.667 37.68768 C ? B ? 94 CG2 1
   ATOM 1552 N . PRO B 113 ? -23.06484 19.10859 -41.24628 1.000 31.00396 N ? B ? 95 N 1
   ATOM 1553 CA . PRO B 113 ? -23.98630 20.22535 -40.97518 1.000 29.36876 C ? B ? 95 CA 1
   ATOM 1554 C . PRO B 113 ? -25.35318 20.06469 -41.62201 1.000 38.13960 C ? B ? 95 C 1
   ATOM 1555 O . PRO B 113 ? -25.48921 19.55502 -42.73745 1.000 41.28492 O ? B ? 95 O 1
   ATOM 1556 CB . PRO B 113 ? -23.23341 21.43644 -41.53845 1.000 33.58484 C ? B ? 95 CB 1
   ATOM 1557 CG . PRO B 113 ? -22.41989 20.85605 -42.68629 1.000 43.48110 C ? B ? 95 CG 1
   ATOM 1558 CD . PRO B 113 ? -21.97309 19.48719 -42.17048 1.000 35.11634 C ? B ? 95 CD 1
   ATOM 1559 N . ARG B 114 ? -26.37628 20.51881 -40.88683 1.000 37.45901 N ? B ? 96 N 1
   ATOM 1560 CA . ARG B 114 ? -27.72839 20.70936 -41.41483 1.000 40.02278 C ? B ? 96 CA 1
   ATOM 1561 C . ARG B 114 ? -28.28240 22.04931 -40.93067 1.000 41.39178 C ? B ? 96 C 1
   ATOM 1562 O . ARG B 114 ? -28.43883 22.96644 -41.73615 1.000 70.10383 O ? B ? 96 O 1
   ATOM 1563 CB . ARG B 114 ? -28.67739 19.61804 -40.96077 1.000 43.56979 C ? B ? 96 CB 1
   ATOM 1564 CG . ARG B 114 ? -28.11299 18.25292 -40.91510 1.000 44.02707 C ? B ? 96 CG 1
   ATOM 1565 CD . ARG B 114 ? -29.14026 17.34959 -40.29746 1.000 49.85521 C ? B ? 96 CD 1
   ATOM 1566 NE . ARG B 114 ? -28.84904 15.95467 -40.58454 1.000 51.02940 N ? B ? 96 NE 1
   ATOM 1567 CZ . ARG B 114 ? -27.89330 15.25806 -39.99078 1.000 46.72949 C ? B ? 96 CZ 1
   ATOM 1568 NH1 . ARG B 114 ? -27.10788 15.80312 -39.08606 1.000 42.22433 N ? B ? 96 NH1 1
   ATOM 1569 NH2 . ARG B 114 ? -27.73698 13.98075 -40.30642 1.000 40.15299 N ? B ? 96 NH2 1
   HETATM 1570 BA . BA A 201 ? 0.00000 0.00001 19.41181 0.229 18.94474 Ba ? C ? . BA 1
   HETATM 1571 BA . BA A 202 ? -0.00000 -0.00000 13.71796 0.098 21.36496 Ba ? D ? . BA 1
   HETATM 1572 BA . BA A 203 ? -0.00000 -0.00000 10.96738 0.122 20.13706 Ba ? E ? . BA 1
   HETATM 1573 NA . NA A 204 ? 0.00000 0.00000 24.21949 0.171 18.87817 Na ? F ? . NA 1
   HETATM 1574 C1 . MPD A 205 ? -17.30468 -5.92676 26.22756 1.000 55.43527 C ? G ? . C1 1
   HETATM 1575 C2 . MPD A 205 ? -17.74057 -4.47171 26.40663 1.000 63.89047 C ? G ? . C2 1
   HETATM 1576 C3 . MPD A 205 ? -17.57108 -3.69084 25.08922 1.000 52.05986 C ? G ? . C3 1
   HETATM 1577 C4 . MPD A 205 ? -18.32945 -4.18592 23.87364 1.000 59.95532 C ? G ? . C4 1
   HETATM 1578 C5 . MPD A 205 ? -18.12706 -3.23086 22.71136 1.000 51.90975 C ? G ? . C5 1
   HETATM 1579 CM . MPD A 205 ? -16.93509 -3.79244 27.50216 1.000 50.83317 C ? G ? . CM 1
   HETATM 1580 O2 . MPD A 205 ? -19.09134 -4.50861 26.83913 1.000 72.86340 O ? G ? . O2 1
   HETATM 1581 O4 . MPD A 205 ? -19.71438 -4.30117 24.20474 1.000 61.29174 O ? G ? . O4 1
   HETATM 1582 O . HOH A 302 ? 4.76012 -9.09380 8.95550 0.786 30.95985 O ? H ? . O 1
   HETATM 1583 O . HOH A 304 ? 2.61991 -14.71149 6.27215 0.952 35.48971 O ? H ? . O 1
   HETATM 1584 O . HOH A 305 ? -11.75891 -4.29139 7.04512 0.925 35.10827 O ? H ? . O 1
   HETATM 1585 O . HOH A 306 ? -15.47699 -6.61188 7.59966 0.828 29.51091 O ? H ? . O 1
   HETATM 1587 O . HOH A 308 ? 13.50717 -16.82259 38.35559 1.000 56.70099 O ? H ? . O 1
   HETATM 1588 O . HOH A 310 ? -1.25112 -6.79980 13.83794 0.740 23.95418 O ? H ? . O 1
   HETATM 1589 O . HOH A 311 ? 0.82391 -1.93090 9.38982 0.365 32.50189 O ? H ? . O 1
   HETATM 1590 O . HOH A 312 ? -0.00000 -0.00000 17.02062 0.262 29.01717 O ? H ? . O 1
   HETATM 1591 O . HOH A 313 ? -11.22841 -20.14803 18.97594 0.806 40.21654 O ? H ? . O 1
   HETATM 1596 O . HOH A 321 ? 0.57508 -9.00643 13.62738 0.772 25.26935 O ? H ? . O 1
   HETATM 1597 O . HOH A 322 ? -1.25703 -16.22961 7.03262 1.000 35.45851 O ? H ? . O 1
   HETATM 1598 O . HOH A 323 ? 1.78383 -22.52814 10.53224 1.000 34.73034 O ? H ? . O 1
   HETATM 1599 O . HOH A 324 ? -5.19684 -21.61604 8.17893 0.787 38.27579 O ? H ? . O 1
   HETATM 1600 O . HOH A 325 ? -9.81367 -12.58684 5.91552 0.809 42.20921 O ? H ? . O 1
   HETATM 1603 O . HOH A 329 ? 1.32243 -23.15091 7.77069 0.337 32.79901 O ? H ? . O 1
   HETATM 1605 O . HOH A 333 ? -7.36342 -11.98110 7.54957 0.989 47.88041 O ? H ? . O 1
   HETATM 1609 BA . BA B 201 ? 0.00000 0.00000 -17.00573 0.277 39.10665 Ba ? I ? . BA 1
   HETATM 1610 BA . BA B 202 ? -0.00389 -0.00757 -8.40928 0.103 58.11947 Ba ? J ? . BA 1
   HETATM 1611 BA . BA B 203 ? -0.00123 0.00005 -11.21802 0.080 51.13424 Ba ? K ? . BA 1
   HETATM 1612 NA . NA B 204 ? 0.00000 0.00000 -21.92487 0.452 48.41255 Na ? L ? . NA 1
   HETATM 1613 C1 . MPD B 205 ? -19.08902 -19.49790 -20.22236 1.000 50.54441 C ? M ? . C1 1
   HETATM 1614 C2 . MPD B 205 ? -19.60459 -19.23063 -21.61879 1.000 39.40086 C ? M ? . C2 1
   HETATM 1615 C3 . MPD B 205 ? -18.44971 -19.42114 -22.61957 1.000 51.58454 C ? M ? . C3 1
   HETATM 1616 C4 . MPD B 205 ? -17.04680 -18.85826 -22.29728 1.000 45.50476 C ? M ? . C4 1
   HETATM 1617 C5 . MPD B 205 ? -17.06291 -17.37592 -21.91412 1.000 34.54197 C ? M ? . C5 1
   HETATM 1618 CM . MPD B 205 ? -20.16416 -17.82327 -21.71852 1.000 29.49045 C ? M ? . CM 1
   HETATM 1619 O2 . MPD B 205 ? -20.66445 -20.17669 -21.81894 1.000 45.54682 O ? M ? . O2 1
   HETATM 1620 O4 . MPD B 205 ? -16.22042 -19.01814 -23.44850 1.000 63.54391 O ? M ? . O4 1
   HETATM 1621 C1 . MPD B 206 ? -8.55476 6.22919 -34.57191 1.000 69.19590 C ? N ? . C1 1
   HETATM 1622 C2 . MPD B 206 ? -9.48444 7.10359 -35.41165 1.000 66.73324 C ? N ? . C2 1
   HETATM 1623 C3 . MPD B 206 ? -10.86026 7.15673 -34.74016 1.000 51.79503 C ? N ? . C3 1
   HETATM 1624 C4 . MPD B 206 ? -10.91038 7.27436 -33.22699 1.000 48.30726 C ? N ? . C4 1
   HETATM 1625 C5 . MPD B 206 ? -12.32844 7.46679 -32.73595 1.000 53.74193 C ? N ? . C5 1
   HETATM 1626 CM . MPD B 206 ? -9.56937 6.51245 -36.82350 1.000 52.75284 C ? N ? . CM 1
   HETATM 1627 O2 . MPD B 206 ? -8.92070 8.40794 -35.44798 1.000 67.95646 O ? N ? . O2 1
   HETATM 1628 O4 . MPD B 206 ? -10.07947 8.35898 -32.81269 1.000 59.85248 O ? N ? . O4 1
   HETATM 1629 C1 . MPD B 207 ? -16.77565 -4.74500 -24.42153 1.000 51.31620 C ? O ? . C1 1
   HETATM 1630 C2 . MPD B 207 ? -17.52469 -3.57085 -23.80844 1.000 54.29356 C ? O ? . C2 1
   HETATM 1631 C3 . MPD B 207 ? -17.44412 -2.41652 -24.85027 1.000 61.50006 C ? O ? . C3 1
   HETATM 1632 C4 . MPD B 207 ? -18.68026 -1.83559 -25.55993 1.000 62.14967 C ? O ? . C4 1
   HETATM 1633 C5 . MPD B 207 ? -18.36523 -0.47744 -26.17579 1.000 50.47769 C ? O ? . C5 1
   HETATM 1634 CM . MPD B 207 ? -16.97903 -3.29312 -22.39856 1.000 60.70213 C ? O ? . CM 1
   HETATM 1635 O2 . MPD B 207 ? -18.83132 -4.04243 -23.57238 1.000 60.68145 O ? O ? . O2 1
   HETATM 1636 O4 . MPD B 207 ? -19.75113 -1.73198 -24.63323 1.000 60.40746 O ? O ? . O4 1
   HETATM 1637 O . HOH B 302 ? -30.88721 15.28128 -42.01175 0.943 49.82714 O ? P ? . O 1
   HETATM 1639 O . HOH B 305 ? -3.09414 -12.01642 -27.88109 0.826 32.23774 O ? P ? . O 1
   HETATM 1640 O . HOH B 306 ? -24.58609 16.03685 -37.87802 1.000 28.90659 O ? P ? . O 1
   HETATM 1641 O . HOH B 308 ? -25.55975 9.88164 -35.96100 0.915 47.74378 O ? P ? . O 1
   HETATM 1645 O . HOH B 312 ? -3.04535 -7.28864 -32.66340 1.000 61.49318 O ? P ? . O 1
   HETATM 1647 O . HOH B 314 ? -2.65246 -5.38010 -30.50868 1.000 64.04824 O ? P ? . O 1
   HETATM 1650 O . HOH B 320 ? -23.90841 8.61230 -34.29577 0.961 53.88240 O ? P ? . O 1
   HETATM 1654 O . HOH B 325 ? -5.71815 1.11861 -32.79807 1.000 56.28873 O ? P ? . O 1
   HETATM 1974 O . HOH S 336 ? -7.35715 -12.96482 5.31921 1.000 43.28385 O ? Q ? . O 1
   HETATM 1980 O . HOH S 342 ? -11.33628 -14.59166 5.10567 1.000 47.60883 O ? Q ? . O 1
   HETATM 1981 O . HOH S 343 ? -15.51392 -4.23365 -37.87934 0.797 47.10120 O ? Q ? . O 1
   HETATM 1984 O . HOH S 346 ? -26.09477 12.84752 -38.71803 0.693 41.91640 O ? Q ? . O 1
   HETATM 1990 O . HOH S 352 ? -3.90932 -3.19446 9.11275 0.624 36.74800 O ? Q ? . O 1
   HETATM 1993 O . HOH S 355 ? -0.70397 -17.00749 4.27640 0.944 51.55473 O ? Q ? . O 1
   HETATM 1995 O . HOH S 357 ? -25.55163 12.28534 -36.21708 0.607 43.75503 O ? Q ? . O 1
   HETATM 2004 O . HOH S 366 ? -7.25131 -21.47723 6.64753 0.528 47.90045 O ? Q ? . O 1
   HETATM 2049 O . HOH S 400 ? 4.42022 -8.21652 6.43212 0.844 55.44770 O ? R ? . O 1
   HETATM 2050 O . HOH S 401 ? -11.11925 -17.09774 4.10588 1.000 60.63266 O ? R ? . O 1
   HETATM 2054 O . HOH S 405 ? -2.61309 -14.02673 5.59001 0.612 36.44736 O ? R ? . O 1
   HETATM 2062 O . HOH S 413 ? -3.17500 -22.27741 6.14274 0.532 41.30289 O ? R ? . O 1
   HETATM 2068 O . HOH S 416 ? -9.00182 -8.33498 30.94113 0.901 45.52630 O ? S ? . O 1
   HETATM 2071 O . HOH S 419 ? -2.36163 -11.93393 -30.08002 0.349 22.85986 O ? S ? . O 1
   HETATM 2072 O . HOH S 420 ? 26.17416 -13.19016 36.83485 0.788 57.05281 O ? S ? . O 1
   HETATM 2073 O . HOH S 421 ? -4.96323 -1.27490 -31.86022 0.606 45.86166 O ? S ? . O 1
   HETATM 2076 O . HOH S 424 ? -12.00435 -21.17238 21.13527 0.395 30.04762 O ? S ? . O 1
   HETATM 2077 O . HOH S 425 ? 20.79973 -15.08050 39.85573 0.758 64.22237 O ? S ? . O 1
   HETATM 2078 O . HOH S 426 ? -13.70338 -9.09806 -4.39713 1.000 59.28770 O ? S ? . O 1
   HETATM 2087 O . HOH S 435 ? -28.07643 11.17928 -35.89803 0.694 53.01055 O ? S ? . O 1
   HETATM 2092 O . HOH S 440 ? -9.46668 -15.37835 3.15206 0.857 53.83057 O ? S ? . O 1
   HETATM 2094 O . HOH S 442 ? 1.95676 -24.74130 39.92394 0.749 61.72568 O ? S ? . O 1
   HETATM 2106 O . HOH S 454 ? -3.17617 -15.01378 3.05584 0.605 52.65915 O ? S ? . O 1
   HETATM 2119 O . HOH S 458 ? -7.77441 -10.57547 31.39488 0.670 37.61953 O ? T ? . O 1
   HETATM 2121 O . HOH S 460 ? -5.16681 -15.46236 4.91415 0.558 43.71768 O ? T ? . O 1
   HETATM 2126 O . HOH S 465 ? -3.21651 0.32025 -30.13785 0.809 57.10729 O ? T ? . O 1
   HETATM 2130 O . HOH S 469 ? -10.84802 -23.42233 22.87296 0.845 58.50980 O ? T ? . O 1
   HETATM 2143 O . HOH S 482 ? 13.03192 -13.24065 32.45673 0.751 54.32165 O ? T ? . O 1
   HETATM 2149 O . HOH S 488 ? -6.96552 -14.72090 3.37867 0.696 50.64228 O ? T ? . O 1
   HETATM 2156 O . HOH S 492 ? -6.08757 0.24008 -29.83832 0.604 47.99113 O ? U ? . O 1
   HETATM 2160 O . HOH S 496 ? -4.71241 -9.99385 7.77359 0.450 28.51574 O ? U ? . O 1
   HETATM 2163 O . HOH S 499 ? -25.03902 9.52743 -31.90342 0.485 35.53267 O ? U ? . O 1
   HETATM 2183 O . HOH S 519 ? -6.76024 -12.31510 2.11560 0.427 38.50826 O ? U ? . O 1

data_comp_BA
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
   BA BA BA BA 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
   BA BA 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
   BA . 'BARIUM ION                          ' 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_comp_MPD
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.charge
  _chem_comp_atom.partial_charge
  _chem_comp_atom.x
  _chem_comp_atom.y
  _chem_comp_atom.z
   MPD C1 C CH3 0 -0.653 -2.5669 -3.3055 8.5397
   MPD C2 C CT 0 0.207 -2.9214 -4.0790 9.8049
   MPD O2 O OH1 0 -0.696 -2.5097 -5.4207 9.5854
   MPD CM C CH3 0 -0.675 -4.4346 -4.0245 10.0264
   MPD C3 C CH2 0 -0.447 -2.1576 -3.4630 10.9905
   MPD C4 C CH1 0 0.034 -2.4722 -4.0328 12.3678
   MPD O4 O OH1 0 -0.680 -2.2574 -5.4404 12.3218
   MPD C5 C CH3 0 -0.674 -1.6159 -3.3868 13.4458
   MPD H11 H HCH3 0 0.220 -2.9005 -2.2703 8.6143
   MPD H12 H HCH3 0 0.225 -1.4885 -3.3003 8.3697
   MPD H13 H HCH3 0 0.227 -3.0473 -3.7484 7.6651
   MPD HO2 H HOH1 0 0.439 -2.4951 -5.8456 10.4543
   MPD HM1 H HCH3 0 0.228 -4.7470 -4.6441 10.8689
   MPD HM2 H HCH3 0 0.216 -4.7730 -3.0050 10.2204
   MPD HM3 H HCH3 0 0.228 -4.9598 -4.3856 9.1402
   MPD H31 H HCH2 0 0.226 -1.0819 -3.5558 10.7990
   MPD H32 H HCH2 0 0.228 -2.3693 -2.3910 11.0276
   MPD H4 H HCH1 0 0.210 -3.5253 -3.8291 12.6001
   MPD HO4 H HOH1 0 0.457 -2.6221 -5.8374 13.1192
   MPD H51 H HCH3 0 0.232 -1.8537 -3.7908 14.4317
   MPD H52 H HCH3 0 0.223 -0.5541 -3.5533 13.2554
   MPD H53 H HCH3 0 0.225 -1.7886 -2.3105 13.4817

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   MPD C1 C2 single 1.525 0.020 1.525
   MPD C1 H11 single 0.970 0.020 1.090
   MPD C1 H12 single 0.970 0.020 1.090
   MPD C1 H13 single 0.970 0.020 1.090
   MPD C2 O2 single 1.421 0.020 1.421
   MPD C2 CM single 1.530 0.020 1.530
   MPD C2 C3 single 1.539 0.020 1.539
   MPD O2 HO2 single 0.850 0.020 0.980
   MPD CM HM1 single 0.970 0.020 1.090
   MPD CM HM2 single 0.970 0.020 1.090
   MPD CM HM3 single 0.970 0.020 1.090
   MPD C3 C4 single 1.523 0.020 1.523
   MPD C3 H31 single 0.970 0.020 1.090
   MPD C3 H32 single 0.970 0.020 1.090
   MPD C4 O4 single 1.425 0.020 1.425
   MPD C4 C5 single 1.521 0.020 1.521
   MPD C4 H4 single 0.970 0.020 1.090
   MPD O4 HO4 single 0.850 0.020 0.980
   MPD C5 H51 single 0.970 0.020 1.090
   MPD C5 H52 single 0.970 0.020 1.090
   MPD C5 H53 single 0.970 0.020 1.090

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   MPD H13 C1 H12 108.17 3.000
   MPD H13 C1 H11 107.78 3.000
   MPD H12 C1 H11 107.96 3.000
   MPD H13 C1 C2 110.90 3.000
   MPD H12 C1 C2 111.18 3.000
   MPD H11 C1 C2 110.72 3.000
   MPD C3 C2 CM 111.41 3.000
   MPD C3 C2 O2 110.69 3.000
   MPD CM C2 O2 110.04 3.000
   MPD C3 C2 C1 108.71 3.000
   MPD CM C2 C1 109.39 3.000
   MPD O2 C2 C1 106.47 3.000
   MPD HO2 O2 C2 106.29 3.000
   MPD HM3 CM HM2 107.70 3.000
   MPD HM3 CM HM1 107.53 3.000
   MPD HM2 CM HM1 107.71 3.000
   MPD HM3 CM C2 110.27 3.000
   MPD HM2 CM C2 111.44 3.000
   MPD HM1 CM C2 112.00 3.000
   MPD H32 C3 H31 106.19 3.000
   MPD H32 C3 C4 107.23 3.000
   MPD H31 C3 C4 109.20 3.000
   MPD H32 C3 C2 108.81 3.000
   MPD H31 C3 C2 108.57 3.000
   MPD C4 C3 C2 116.38 3.000
   MPD H4 C4 C5 108.15 3.000
   MPD H4 C4 O4 109.56 3.000
   MPD C5 C4 O4 110.96 3.000
   MPD H4 C4 C3 108.67 3.000
   MPD C5 C4 C3 111.45 3.000
   MPD O4 C4 C3 108.01 3.000
   MPD HO4 O4 C4 108.89 3.000
   MPD H53 C5 H52 108.08 3.000
   MPD H53 C5 H51 107.52 3.000
   MPD H52 C5 H51 108.24 3.000
   MPD H53 C5 C4 110.69 3.000
   MPD H52 C5 C4 111.06 3.000
   MPD H51 C5 C4 111.12 3.000

loop_
  _chem_comp_tor.comp_id
  _chem_comp_tor.id
  _chem_comp_tor.atom_id_1
  _chem_comp_tor.atom_id_2
  _chem_comp_tor.atom_id_3
  _chem_comp_tor.atom_id_4
  _chem_comp_tor.value_angle
  _chem_comp_tor.value_angle_esd
  _chem_comp_tor.period
   MPD Var_01 C4 C3 C2 C1 175.15 30.0 3
   MPD Var_02 HM1 CM C2 C1 174.58 30.0 3
   MPD Var_03 H11 C1 C2 O2 177.16 30.0 3
   MPD Var_04 O4 C4 C3 C2 55.47 30.0 3
   MPD Var_05 C5 C4 C3 C2 177.61 30.0 3
   MPD Var_06 HO2 O2 C2 C1 164.08 30.0 3
   MPD Var_07 H4 C4 C3 C2 -63.32 30.0 3
   MPD Var_08 HO4 O4 C4 C3 -168.41 30.0 3
   MPD Var_09 H51 C5 C4 C3 179.35 30.0 3
   MPD Var_10 H52 C5 C4 C3 -60.10 30.0 3
   MPD Var_11 H53 C5 C4 C3 59.96 30.0 3

loop_
  _chem_comp_chir.comp_id
  _chem_comp_chir.id
  _chem_comp_chir.atom_id_centre
  _chem_comp_chir.atom_id_1
  _chem_comp_chir.atom_id_2
  _chem_comp_chir.atom_id_3
  _chem_comp_chir.volume_sign
   MPD chir_01 C4 C3 O4 C5 negativ

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
   MPD MPD (4S)-2-methylpentane-2,4-diol ligand 22 8 .

