data_8ba6_qFit
_cell.length_a                    43.575
_cell.length_b                    50.420
_cell.length_c                    59.073
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      129786.425
_space_group.crystal_system       orthorhombic
_space_group.IT_number            19
_space_group.name_H-M_alt         'P 21 21 21'
_space_group.name_Hall            ' P 2ac 2ab'
_symmetry.space_group_name_H-M    'P 21 21 21'
_symmetry.space_group_name_Hall   ' P 2ac 2ab'
_symmetry.Int_Tables_number       19
_reflns.B_iso_Wilson_estimate     7.02
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              29.54
_refine.ls_d_res_high             1.10
_refine.pdbx_ls_sigma_F           1.09
_refine.ls_percent_reflns_obs     94.61
_refine.ls_number_reflns_obs      50660
_refine.ls_number_reflns_R_work   48663
_refine.ls_number_reflns_R_free   1997
_refine.ls_R_factor_obs           0.1778
_refine.ls_R_factor_R_work        0.1770
_refine.ls_R_factor_R_free        0.1985
_refine.ls_percent_reflns_R_free  3.94
_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             0.0761
_refine.pdbx_overall_phase_error  25.6921
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                10.40
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 x+1/2,-y+1/2,-z
   3 -x,y+1/2,-z+1/2
   4 -x+1/2,-y,z+1/2

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

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

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

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

loop_
  _refine_ls_restr.pdbx_refine_id
  _refine_ls_restr.type
  _refine_ls_restr.number
  _refine_ls_restr.dev_ideal
  _refine_ls_restr.weight
  _refine_ls_restr.pdbx_restraint_function
   'X-RAY DIFFRACTION' f_bond_d 2141 0.0142 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2894 1.5414 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 311 0.1169 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 370 0.0131 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 873 12.8822 ? ?

loop_
  _refine_ls_shell.pdbx_refine_id
  _refine_ls_shell.d_res_high
  _refine_ls_shell.d_res_low
  _refine_ls_shell.number_reflns_R_work
  _refine_ls_shell.R_factor_R_work
  _refine_ls_shell.percent_reflns_obs
  _refine_ls_shell.R_factor_R_free
  _refine_ls_shell.number_reflns_R_free
   'X-RAY DIFFRACTION' 2.65 29.54 3811 0.1789 97.57 0.2114 156
   'X-RAY DIFFRACTION' 2.10 2.65 3668 0.1801 98.20 0.1795 151
   'X-RAY DIFFRACTION' 1.84 2.10 3570 0.1680 95.95 0.1592 146
   'X-RAY DIFFRACTION' 1.67 1.84 3569 0.1696 97.48 0.2027 146
   'X-RAY DIFFRACTION' 1.55 1.67 3557 0.1602 96.68 0.1845 145
   'X-RAY DIFFRACTION' 1.46 1.55 3456 0.1636 94.59 0.1944 143
   'X-RAY DIFFRACTION' 1.39 1.46 3485 0.1735 95.50 0.2087 143
   'X-RAY DIFFRACTION' 1.33 1.39 3471 0.1675 95.48 0.2045 142
   'X-RAY DIFFRACTION' 1.27 1.33 3454 0.1749 94.26 0.1944 143
   'X-RAY DIFFRACTION' 1.23 1.27 3394 0.1772 93.69 0.2062 139
   'X-RAY DIFFRACTION' 1.19 1.23 3336 0.1981 91.73 0.2263 137
   'X-RAY DIFFRACTION' 1.16 1.19 3308 0.1855 92.04 0.1999 136
   'X-RAY DIFFRACTION' 1.13 1.16 3329 0.1949 91.69 0.2366 136
   'X-RAY DIFFRACTION' 1.10 1.13 3255 0.2116 89.28 0.2337 134

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

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

loop_
  _chem_comp.id
   ALA
   ARG
   ASN
   ASP
   GLN
   GLU
   GLY
   HIS
   HOH
   ILE
   LEU
   LYS
   MET
   PHE
   PRO
   S8N
   SER
   THR
   TRP
   TYR
   VAL

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . GLY A 13 ? 17.79560 1.67135 -10.97895 1.000 30.67842 N ? A ? 1 N 1
   ATOM 2 CA . GLY A 13 ? 17.73736 3.06661 -10.55067 1.000 15.96407 C ? A ? 1 CA 1
   ATOM 3 C . GLY A 13 ? 16.39995 3.33609 -9.91194 1.000 17.60258 C ? A ? 1 C 1
   ATOM 4 O . GLY A 13 ? 15.49354 2.49539 -9.90625 1.000 16.01254 O ? A ? 1 O 1
   ATOM 5 N . ALA A 14 ? 16.25399 4.55116 -9.38505 1.000 13.72865 N ? A ? 2 N 1
   ATOM 6 CA . ALA A 14 ? 15.02259 4.89274 -8.67519 1.000 11.94975 C ? A ? 2 CA 1
   ATOM 7 C . ALA A 14 ? 13.76835 4.71631 -9.52541 1.000 9.98965 C ? A ? 2 C 1
   ATOM 8 O . ALA A 14 ? 12.74967 4.26586 -8.98191 1.000 9.81800 O ? A ? 2 O 1
   ATOM 9 CB . ALA A 14 ? 15.11996 6.31505 -8.04537 1.000 13.75728 C ? A ? 2 CB 1
   ATOM 10 N . PRO A 15 ? 13.74339 5.08819 -10.81671 1.000 10.79866 N ? A ? 3 N 1
   ATOM 11 CA . PRO A 15 ? 12.49097 4.88581 -11.58275 1.000 11.34745 C ? A ? 3 CA 1
   ATOM 12 C . PRO A 15 ? 12.05987 3.42816 -11.66163 1.000 10.67775 C ? A ? 3 C 1
   ATOM 13 O . PRO A 15 ? 10.87400 3.12779 -11.48760 1.000 12.06248 O ? A ? 3 O 1
   ATOM 14 CB . PRO A 15 ? 12.79893 5.47072 -12.97623 1.000 11.07629 C ? A ? 3 CB 1
   ATOM 15 CG . PRO A 15 ? 13.87927 6.45313 -12.69234 1.000 12.17429 C ? A ? 3 CG 1
   ATOM 16 CD . PRO A 15 ? 14.71214 5.90982 -11.56729 1.000 12.84050 C ? A ? 3 CD 1
   ATOM 17 N B ALA A 16 ? 12.98864 2.51299 -11.93007 0.440 11.75091 N ? A ? 4 N 1
   ATOM 18 CA B ALA A 16 ? 12.59867 1.10891 -11.89724 0.440 10.77715 C ? A ? 4 CA 1
   ATOM 19 C B ALA A 16 ? 12.25043 0.66096 -10.47758 0.440 11.02536 C ? A ? 4 C 1
   ATOM 20 O B ALA A 16 ? 11.37455 -0.20345 -10.27378 0.440 13.05531 O ? A ? 4 O 1
   ATOM 21 CB B ALA A 16 ? 13.68967 0.25567 -12.55784 0.440 10.14369 C ? A ? 4 CB 1
   ATOM 22 N C ALA A 16 ? 13.02493 2.49011 -11.75844 0.560 12.24473 N ? A ? 4 N 1
   ATOM 23 CA C ALA A 16 ? 12.68958 1.06060 -11.73928 0.560 10.23674 C ? A ? 4 CA 1
   ATOM 24 C C ALA A 16 ? 12.03855 0.66067 -10.42363 0.560 13.18898 C ? A ? 4 C 1
   ATOM 25 O C ALA A 16 ? 10.98787 -0.01111 -10.39185 0.560 12.81775 O ? A ? 4 O 1
   ATOM 26 CB C ALA A 16 ? 13.94797 0.19799 -11.92765 0.560 10.50004 C ? A ? 4 CB 1
   ATOM 27 N B THR A 17 ? 12.90100 1.21267 -9.45349 0.440 11.14056 N ? A ? 5 N 1
   ATOM 28 CA B THR A 17 ? 12.50515 0.80530 -8.10997 0.440 11.75525 C ? A ? 5 CA 1
   ATOM 29 C B THR A 17 ? 11.10133 1.30782 -7.77397 0.440 11.22706 C ? A ? 5 C 1
   ATOM 30 O B THR A 17 ? 10.25631 0.55323 -7.26570 0.440 12.26820 O ? A ? 5 O 1
   ATOM 31 CB B THR A 17 ? 13.50904 1.33018 -7.10870 0.440 13.08948 C ? A ? 5 CB 1
   ATOM 32 OG1 B THR A 17 ? 14.81467 0.92967 -7.53545 0.440 12.11075 O ? A ? 5 OG1 1
   ATOM 33 CG2 B THR A 17 ? 13.21555 0.74316 -5.76529 0.440 14.32878 C ? A ? 5 CG2 1
   ATOM 34 N C THR A 17 ? 12.71492 0.96644 -9.31030 0.560 9.14368 N ? A ? 5 N 1
   ATOM 35 CA C THR A 17 ? 12.20366 0.60537 -8.00163 0.560 9.78191 C ? A ? 5 CA 1
   ATOM 36 C C THR A 17 ? 10.82183 1.21064 -7.73455 0.560 8.26542 C ? A ? 5 C 1
   ATOM 37 O C THR A 17 ? 9.97902 0.55712 -7.09238 0.560 10.23240 O ? A ? 5 O 1
   ATOM 38 CB C THR A 17 ? 13.19612 1.11313 -6.96174 0.560 11.79827 C ? A ? 5 CB 1
   ATOM 39 OG1 C THR A 17 ? 14.44534 0.40211 -7.12461 0.560 13.20717 O ? A ? 5 OG1 1
   ATOM 40 CG2 C THR A 17 ? 12.64898 0.90631 -5.54808 0.560 12.22315 C ? A ? 5 CG2 1
   ATOM 41 N B VAL A 18 ? 10.83227 2.57838 -8.08112 0.440 9.43075 N ? A ? 6 N 1
   ATOM 42 CA B VAL A 18 ? 9.48079 3.10310 -7.92650 0.440 9.58741 C ? A ? 6 CA 1
   ATOM 43 C B VAL A 18 ? 8.47084 2.32107 -8.77339 0.440 6.36913 C ? A ? 6 C 1
   ATOM 44 O B VAL A 18 ? 7.39603 1.97274 -8.27189 0.440 7.87383 O ? A ? 6 O 1
   ATOM 45 CB B VAL A 18 ? 9.44389 4.62195 -8.16888 0.440 7.99091 C ? A ? 6 CB 1
   ATOM 46 CG1 B VAL A 18 ? 8.01265 5.10602 -8.00950 0.440 10.60273 C ? A ? 6 CG1 1
   ATOM 47 CG2 B VAL A 18 ? 10.36268 5.31866 -7.19112 0.440 9.17895 C ? A ? 6 CG2 1
   ATOM 48 N C VAL A 18 ? 10.56676 2.43841 -8.23039 0.560 10.38504 N ? A ? 6 N 1
   ATOM 49 CA C VAL A 18 ? 9.27339 3.05358 -7.96663 0.560 9.07392 C ? A ? 6 CA 1
   ATOM 50 C C VAL A 18 ? 8.18080 2.33193 -8.75669 0.560 6.94920 C ? A ? 6 C 1
   ATOM 51 O C VAL A 18 ? 7.08846 2.09150 -8.24271 0.560 11.21880 O ? A ? 6 O 1
   ATOM 52 CB C VAL A 18 ? 9.32821 4.57355 -8.21741 0.560 8.60198 C ? A ? 6 CB 1
   ATOM 53 CG1 C VAL A 18 ? 7.92515 5.14498 -8.09010 0.560 10.45770 C ? A ? 6 CG1 1
   ATOM 54 CG2 C VAL A 18 ? 10.29246 5.25529 -7.25019 0.560 9.23617 C ? A ? 6 CG2 1
   ATOM 55 N B THR A 19 ? 8.79890 1.96838 -10.04112 0.440 10.93728 N ? A ? 7 N 1
   ATOM 56 CA B THR A 19 ? 7.79100 1.31036 -10.89452 0.440 11.15270 C ? A ? 7 CA 1
   ATOM 57 C B THR A 19 ? 7.28863 -0.00719 -10.30078 0.440 8.08615 C ? A ? 7 C 1
   ATOM 58 O B THR A 19 ? 6.11645 -0.36921 -10.49446 0.440 12.79409 O ? A ? 7 O 1
   ATOM 59 CB B THR A 19 ? 8.24439 1.19154 -12.36947 0.440 13.41933 C ? A ? 7 CB 1
   ATOM 60 OG1 B THR A 19 ? 7.09479 1.19793 -13.23216 0.440 14.17514 O ? A ? 7 OG1 1
   ATOM 61 CG2 B THR A 19 ? 8.98218 -0.05397 -12.64799 0.440 14.60249 C ? A ? 7 CG2 1
   ATOM 62 N C THR A 19 ? 8.48487 1.84766 -9.96474 0.560 9.19881 N ? A ? 7 N 1
   ATOM 63 CA C THR A 19 ? 7.45794 1.07052 -10.67579 0.560 6.54909 C ? A ? 7 CA 1
   ATOM 64 C C THR A 19 ? 7.21954 -0.26542 -10.00707 0.560 14.08608 C ? A ? 7 C 1
   ATOM 65 O C THR A 19 ? 6.07166 -0.71809 -9.89646 0.560 11.04468 O ? A ? 7 O 1
   ATOM 66 CB C THR A 19 ? 7.70880 0.96817 -12.18526 0.560 9.86559 C ? A ? 7 CB 1
   ATOM 67 OG1 C THR A 19 ? 6.44929 0.91058 -12.84884 0.560 12.04068 O ? A ? 7 OG1 1
   ATOM 68 CG2 C THR A 19 ? 8.57134 -0.19593 -12.64944 0.560 14.09761 C ? A ? 7 CG2 1
   ATOM 69 N B GLU A 20 ? 8.14533 -0.74172 -9.57856 0.440 12.32187 N ? A ? 8 N 1
   ATOM 70 CA B GLU A 20 ? 7.84945 -2.06850 -9.04062 0.440 15.01814 C ? A ? 8 CA 1
   ATOM 71 C B GLU A 20 ? 7.20417 -1.99429 -7.66581 0.440 8.27824 C ? A ? 8 C 1
   ATOM 72 O B GLU A 20 ? 6.26975 -2.74031 -7.35218 0.440 15.30346 O ? A ? 8 O 1
   ATOM 73 CB B GLU A 20 ? 9.16373 -2.84034 -8.85824 0.440 20.62209 C ? A ? 8 CB 1
   ATOM 74 CG B GLU A 20 ? 9.95610 -3.17239 -10.11036 0.440 22.29142 C ? A ? 8 CG 1
   ATOM 75 CD B GLU A 20 ? 11.42169 -3.39273 -9.82208 0.440 34.21529 C ? A ? 8 CD 1
   ATOM 76 OE1 B GLU A 20 ? 11.76051 -3.97258 -8.74799 0.440 39.59569 O ? A ? 8 OE1 1
   ATOM 77 OE2 B GLU A 20 ? 12.21310 -2.93357 -10.68278 0.440 25.90032 O ? A ? 8 OE2 1
   ATOM 78 N C GLU A 20 ? 8.28307 -0.87576 -9.49589 0.560 13.06944 N ? A ? 8 N 1
   ATOM 79 CA C GLU A 20 ? 8.19100 -2.18707 -8.87612 0.560 18.27792 C ? A ? 8 CA 1
   ATOM 80 C C GLU A 20 ? 7.58362 -2.11729 -7.48888 0.560 16.79250 C ? A ? 8 C 1
   ATOM 81 O C GLU A 20 ? 6.87716 -3.03628 -7.06420 0.560 16.94929 O ? A ? 8 O 1
   ATOM 82 CB C GLU A 20 ? 9.59629 -2.80002 -8.77076 0.560 17.31352 C ? A ? 8 CB 1
   ATOM 83 CG C GLU A 20 ? 10.15286 -3.38335 -10.06218 0.560 21.44158 C ? A ? 8 CG 1
   ATOM 84 CD C GLU A 20 ? 11.65543 -3.30609 -10.11260 0.560 35.50004 C ? A ? 8 CD 1
   ATOM 85 OE1 C GLU A 20 ? 12.23616 -2.81534 -9.12086 0.560 32.83406 O ? A ? 8 OE1 1
   ATOM 86 OE2 C GLU A 20 ? 12.24955 -3.73187 -11.12780 0.560 35.51086 O ? A ? 8 OE2 1
   ATOM 87 N B GLN A 21 ? 7.71944 -1.10231 -6.79918 0.440 12.98297 N ? A ? 9 N 1
   ATOM 88 CA B GLN A 21 ? 7.41529 -1.10047 -5.37572 0.440 11.71308 C ? A ? 9 CA 1
   ATOM 89 C B GLN A 21 ? 6.64470 0.13631 -4.92260 0.440 9.96819 C ? A ? 9 C 1
   ATOM 90 O B GLN A 21 ? 6.13740 0.17750 -3.79941 0.440 7.38876 O ? A ? 9 O 1
   ATOM 91 CB B GLN A 21 ? 8.72802 -1.17300 -4.57115 0.440 18.28522 C ? A ? 9 CB 1
   ATOM 92 CG B GLN A 21 ? 9.59538 -2.42010 -4.90405 0.440 19.37853 C ? A ? 9 CG 1
   ATOM 93 CD B GLN A 21 ? 10.83782 -2.58617 -4.01133 0.440 24.17795 C ? A ? 9 CD 1
   ATOM 94 OE1 B GLN A 21 ? 11.51634 -1.61766 -3.67866 0.440 33.35382 O ? A ? 9 OE1 1
   ATOM 95 NE2 B GLN A 21 ? 11.13223 -3.82640 -3.62829 0.440 33.61216 N ? A ? 9 NE2 1
   ATOM 96 N C GLN A 21 ? 7.86040 -1.04216 -6.74982 0.560 13.01773 N ? A ? 9 N 1
   ATOM 97 CA C GLN A 21 ? 7.60540 -1.01999 -5.33082 0.560 12.56336 C ? A ? 9 CA 1
   ATOM 98 C C GLN A 21 ? 6.88591 0.23015 -4.85457 0.560 10.47124 C ? A ? 9 C 1
   ATOM 99 O C GLN A 21 ? 6.65909 0.37750 -3.64209 0.560 14.61967 O ? A ? 9 O 1
   ATOM 100 CB C GLN A 21 ? 8.92578 -1.10140 -4.56527 0.560 18.65115 C ? A ? 9 CB 1
   ATOM 101 CG C GLN A 21 ? 9.61977 -2.42212 -4.79379 0.560 19.47479 C ? A ? 9 CG 1
   ATOM 102 CD C GLN A 21 ? 8.79003 -3.57904 -4.26831 0.560 17.66114 C ? A ? 9 CD 1
   ATOM 103 OE1 C GLN A 21 ? 8.35097 -4.44330 -5.03188 0.560 36.63059 O ? A ? 9 OE1 1
   ATOM 104 NE2 C GLN A 21 ? 8.56674 -3.60076 -2.95225 0.560 28.87708 N ? A ? 9 NE2 1
   ATOM 105 N . GLY A 22 ? 6.55811 1.15944 -5.76734 1.000 10.00534 N ? A ? 10 N 1
   ATOM 106 CA . GLY A 22 ? 5.93574 2.41417 -5.35167 1.000 8.23778 C ? A ? 10 CA 1
   ATOM 107 C . GLY A 22 ? 4.47941 2.25598 -4.97056 1.000 8.93443 C ? A ? 10 C 1
   ATOM 108 O . GLY A 22 ? 3.78264 1.32512 -5.45510 1.000 9.67609 O ? A ? 10 O 1
   ATOM 109 N A GLU A 23 ? 3.94034 3.20833 -4.19604 0.234 7.58629 N ? A ? 11 N 1
   ATOM 110 CA A GLU A 23 ? 2.52621 3.23221 -3.78521 0.234 7.18534 C ? A ? 11 CA 1
   ATOM 111 C A GLU A 23 ? 1.61180 3.88984 -4.83566 0.234 6.52592 C ? A ? 11 C 1
   ATOM 112 O A GLU A 23 ? 1.92949 4.95888 -5.36477 0.234 4.74448 O ? A ? 11 O 1
   ATOM 113 CB A GLU A 23 ? 2.39600 4.01818 -2.46934 0.234 8.35082 C ? A ? 11 CB 1
   ATOM 114 CG A GLU A 23 ? 0.95510 4.12325 -2.00353 0.234 11.22924 C ? A ? 11 CG 1
   ATOM 115 CD A GLU A 23 ? 0.70178 5.08144 -0.85192 0.234 12.97784 C ? A ? 11 CD 1
   ATOM 116 OE1 A GLU A 23 ? 1.51812 6.00575 -0.59825 0.234 10.43070 O ? A ? 11 OE1 1
   ATOM 117 OE2 A GLU A 23 ? -0.36917 4.90647 -0.22406 0.234 10.28336 O ? A ? 11 OE2 1
   ATOM 118 N B GLU A 23 ? 4.02887 3.15788 -4.11217 0.576 7.61109 N ? A ? 11 N 1
   ATOM 119 CA B GLU A 23 ? 2.64010 3.18395 -3.69831 0.576 7.21420 C ? A ? 11 CA 1
   ATOM 120 C B GLU A 23 ? 1.84233 3.84931 -4.80538 0.576 6.04812 C ? A ? 11 C 1
   ATOM 121 O B GLU A 23 ? 2.21546 4.93429 -5.27176 0.576 6.11303 O ? A ? 11 O 1
   ATOM 122 CB B GLU A 23 ? 2.52353 3.96537 -2.39398 0.576 8.49797 C ? A ? 11 CB 1
   ATOM 123 CG B GLU A 23 ? 1.09695 4.12053 -1.92199 0.576 11.70899 C ? A ? 11 CG 1
   ATOM 124 CD B GLU A 23 ? 0.99804 4.81590 -0.59744 0.576 13.82092 C ? A ? 11 CD 1
   ATOM 125 OE1 B GLU A 23 ? 1.95134 4.71137 0.20725 0.576 17.50664 O ? A ? 11 OE1 1
   ATOM 126 OE2 B GLU A 23 ? -0.02892 5.48078 -0.33604 0.576 14.83787 O ? A ? 11 OE2 1
   ATOM 127 N C GLU A 23 ? 4.00296 3.15408 -4.11922 0.191 7.60944 N ? A ? 11 N 1
   ATOM 128 CA C GLU A 23 ? 2.60547 3.12699 -3.71759 0.191 7.33906 C ? A ? 11 CA 1
   ATOM 129 C C GLU A 23 ? 1.76695 3.85169 -4.76499 0.191 6.16455 C ? A ? 11 C 1
   ATOM 130 O C GLU A 23 ? 2.14972 4.92819 -5.23864 0.191 6.04983 O ? A ? 11 O 1
   ATOM 131 CB C GLU A 23 ? 2.43992 3.76856 -2.34416 0.191 8.93645 C ? A ? 11 CB 1
   ATOM 132 CG C GLU A 23 ? 1.01099 3.70544 -1.84523 0.191 10.71167 C ? A ? 11 CG 1
   ATOM 133 CD C GLU A 23 ? 0.73481 4.63243 -0.67306 0.191 11.20144 C ? A ? 11 CD 1
   ATOM 134 OE1 C GLU A 23 ? 1.66720 5.33480 -0.19287 0.191 7.78651 O ? A ? 11 OE1 1
   ATOM 135 OE2 C GLU A 23 ? -0.43486 4.66427 -0.22916 0.191 9.93222 O ? A ? 11 OE2 1
   ATOM 136 N A ASP A 24 ? 0.42485 3.31610 -5.09607 0.251 6.09865 N ? A ? 12 N 1
   ATOM 137 CA A ASP A 24 ? -0.53617 3.89055 -6.06139 0.251 5.76816 C ? A ? 12 CA 1
   ATOM 138 C A ASP A 24 ? -1.40815 4.92922 -5.34836 0.251 4.90674 C ? A ? 12 C 1
   ATOM 139 O A ASP A 24 ? -2.22644 4.56685 -4.49396 0.251 4.50710 O ? A ? 12 O 1
   ATOM 140 CB A ASP A 24 ? -1.41650 2.79211 -6.68252 0.251 5.70891 C ? A ? 12 CB 1
   ATOM 141 CG A ASP A 24 ? -2.46793 3.33917 -7.66684 0.251 5.41695 C ? A ? 12 CG 1
   ATOM 142 OD1 A ASP A 24 ? -2.58156 4.58420 -7.80670 0.251 4.83079 O ? A ? 12 OD1 1
   ATOM 143 OD2 A ASP A 24 ? -3.16643 2.51899 -8.32889 0.251 4.42986 O ? A ? 12 OD2 1
   ATOM 144 N B ASP A 24 ? 0.75028 3.23637 -5.25957 0.611 7.26533 N ? A ? 12 N 1
   ATOM 145 CA B ASP A 24 ? -0.20085 3.88442 -6.17398 0.611 6.01864 C ? A ? 12 CA 1
   ATOM 146 C B ASP A 24 ? -0.97030 4.93352 -5.35777 0.611 5.38775 C ? A ? 12 C 1
   ATOM 147 O B ASP A 24 ? -1.77767 4.58302 -4.47644 0.611 6.61140 O ? A ? 12 O 1
   ATOM 148 CB B ASP A 24 ? -1.16459 2.83092 -6.69681 0.611 6.34873 C ? A ? 12 CB 1
   ATOM 149 CG B ASP A 24 ? -2.04634 3.35324 -7.75233 0.611 6.28147 C ? A ? 12 CG 1
   ATOM 150 OD1 B ASP A 24 ? -2.08182 4.60496 -7.94899 0.611 6.12166 O ? A ? 12 OD1 1
   ATOM 151 OD2 B ASP A 24 ? -2.68947 2.48789 -8.41452 0.611 6.23224 O ? A ? 12 OD2 1
   ATOM 152 N C ASP A 24 ? 0.63168 3.26763 -5.14850 0.138 6.77945 N ? A ? 12 N 1
   ATOM 153 CA C ASP A 24 ? -0.27257 3.91060 -6.11300 0.138 6.12975 C ? A ? 12 CA 1
   ATOM 154 C C ASP A 24 ? -1.11376 4.92811 -5.35058 0.138 5.51124 C ? A ? 12 C 1
   ATOM 155 O C ASP A 24 ? -1.79556 4.58303 -4.38669 0.138 6.61495 O ? A ? 12 O 1
   ATOM 156 CB C ASP A 24 ? -1.18147 2.88544 -6.79700 0.138 6.21240 C ? A ? 12 CB 1
   ATOM 157 CG C ASP A 24 ? -2.04544 3.49342 -7.90256 0.138 5.99796 C ? A ? 12 CG 1
   ATOM 158 OD1 C ASP A 24 ? -1.99197 4.73142 -8.15091 0.138 5.14621 O ? A ? 12 OD1 1
   ATOM 159 OD2 C ASP A 24 ? -2.77801 2.70099 -8.54896 0.138 6.21300 O ? A ? 12 OD2 1
   ATOM 160 N A ILE A 25 ? -1.25667 6.21483 -5.71276 0.291 3.67106 N ? A ? 13 N 1
   ATOM 161 CA A ILE A 25 ? -1.95622 7.26785 -5.00510 0.291 3.76469 C ? A ? 13 CA 1
   ATOM 162 C A ILE A 25 ? -3.06535 7.90577 -5.83920 0.291 4.05546 C ? A ? 13 C 1
   ATOM 163 O A ILE A 25 ? -3.53510 9.01779 -5.49932 0.291 3.68503 O ? A ? 13 O 1
   ATOM 164 CB A ILE A 25 ? -1.00922 8.27482 -4.31091 0.291 5.24421 C ? A ? 13 CB 1
   ATOM 165 CG1 A ILE A 25 ? 0.03094 8.89458 -5.25982 0.291 4.08867 C ? A ? 13 CG1 1
   ATOM 166 CG2 A ILE A 25 ? -0.22688 7.60052 -3.19296 0.291 8.84855 C ? A ? 13 CG2 1
   ATOM 167 CD1 A ILE A 25 ? 0.78084 10.14903 -4.72556 0.291 4.45569 C ? A ? 13 CD1 1
   ATOM 168 N B ILE A 25 ? -0.74273 6.21582 -5.67192 0.709 5.71097 N ? A ? 13 N 1
   ATOM 169 CA B ILE A 25 ? -1.40331 7.29902 -4.99330 0.709 6.34338 C ? A ? 13 CA 1
   ATOM 170 C B ILE A 25 ? -2.52010 7.90140 -5.83038 0.709 4.80651 C ? A ? 13 C 1
   ATOM 171 O B ILE A 25 ? -2.99819 9.02034 -5.54076 0.709 6.52997 O ? A ? 13 O 1
   ATOM 172 CB B ILE A 25 ? -0.42756 8.36574 -4.49274 0.709 5.04686 C ? A ? 13 CB 1
   ATOM 173 CG1 B ILE A 25 ? 0.28165 9.04546 -5.67488 0.709 5.26674 C ? A ? 13 CG1 1
   ATOM 174 CG2 B ILE A 25 ? 0.46089 7.76453 -3.44001 0.709 6.28968 C ? A ? 13 CG2 1
   ATOM 175 CD1 B ILE A 25 ? 1.05553 10.30789 -5.22011 0.709 6.41425 C ? A ? 13 CD1 1
   ATOM 176 N A THR A 26 ? -3.49758 7.22065 -6.90473 0.353 5.56425 N ? A ? 14 N 1
   ATOM 177 CA A THR A 26 ? -4.62673 7.66867 -7.68787 0.353 4.21154 C ? A ? 14 CA 1
   ATOM 178 C A THR A 26 ? -5.93646 7.17445 -7.09555 0.353 4.41920 C ? A ? 14 C 1
   ATOM 179 O A THR A 26 ? -6.01838 6.12968 -6.45047 0.353 6.78008 O ? A ? 14 O 1
   ATOM 180 CB A THR A 26 ? -4.54244 7.13264 -9.11816 0.353 5.71635 C ? A ? 14 CB 1
   ATOM 181 OG1 A THR A 26 ? -4.68523 5.70469 -9.09590 0.353 4.45820 O ? A ? 14 OG1 1
   ATOM 182 CG2 A THR A 26 ? -3.22949 7.54731 -9.77002 0.353 4.25845 C ? A ? 14 CG2 1
   ATOM 183 N B THR A 26 ? -2.98234 7.16416 -6.84672 0.647 5.91541 N ? A ? 14 N 1
   ATOM 184 CA B THR A 26 ? -4.05115 7.67638 -7.68082 0.647 5.74122 C ? A ? 14 CA 1
   ATOM 185 C B THR A 26 ? -5.43296 7.29676 -7.18662 0.647 4.40394 C ? A ? 14 C 1
   ATOM 186 O B THR A 26 ? -5.63213 6.32418 -6.49341 0.647 7.03765 O ? A ? 14 O 1
   ATOM 187 CB B THR A 26 ? -3.92733 7.13450 -9.10531 0.647 5.02504 C ? A ? 14 CB 1
   ATOM 188 OG1 B THR A 26 ? -4.13086 5.72514 -9.19223 0.647 6.04421 O ? A ? 14 OG1 1
   ATOM 189 CG2 B THR A 26 ? -2.59335 7.44992 -9.67122 0.647 6.43953 C ? A ? 14 CG2 1
   ATOM 190 N A SER A 27 ? -6.98204 7.95361 -7.39139 0.241 5.05790 N ? A ? 15 N 1
   ATOM 191 CA A SER A 27 ? -8.34660 7.53456 -7.11236 0.241 5.85781 C ? A ? 15 CA 1
   ATOM 192 C A SER A 27 ? -8.76516 6.37150 -7.98668 0.241 4.90448 C ? A ? 15 C 1
   ATOM 193 O A SER A 27 ? -9.44766 5.46589 -7.51526 0.241 7.23969 O ? A ? 15 O 1
   ATOM 194 CB A SER A 27 ? -9.29902 8.67310 -7.41738 0.241 6.77443 C ? A ? 15 CB 1
   ATOM 195 OG A SER A 27 ? -8.89764 9.81551 -6.73830 0.241 5.48416 O ? A ? 15 OG 1
   ATOM 196 N B SER A 27 ? -6.43130 8.10371 -7.61389 0.464 5.46600 N ? A ? 15 N 1
   ATOM 197 CA B SER A 27 ? -7.81106 7.74866 -7.28342 0.464 6.47702 C ? A ? 15 CA 1
   ATOM 198 C B SER A 27 ? -8.27633 6.53130 -8.07866 0.464 6.12456 C ? A ? 15 C 1
   ATOM 199 O B SER A 27 ? -8.95396 5.65092 -7.54025 0.464 6.23462 O ? A ? 15 O 1
   ATOM 200 CB B SER A 27 ? -8.73229 8.92780 -7.58710 0.464 6.55641 C ? A ? 15 CB 1
   ATOM 201 OG B SER A 27 ? -10.08865 8.54962 -7.50980 0.464 14.69860 O ? A ? 15 OG 1
   ATOM 202 N C SER A 27 ? -6.66475 7.99119 -7.33880 0.295 4.90125 N ? A ? 15 N 1
   ATOM 203 CA C SER A 27 ? -8.06595 7.61167 -7.18059 0.295 5.81634 C ? A ? 15 CA 1
   ATOM 204 C C SER A 27 ? -8.53007 6.56730 -8.19740 0.295 5.73313 C ? A ? 15 C 1
   ATOM 205 O C SER A 27 ? -9.42834 5.77930 -7.90838 0.295 5.24487 O ? A ? 15 O 1
   ATOM 206 CB C SER A 27 ? -8.95259 8.83985 -7.34976 0.295 6.68575 C ? A ? 15 CB 1
   ATOM 207 OG C SER A 27 ? -8.91147 9.30652 -8.69386 0.295 2.88233 O ? A ? 15 OG 1
   ATOM 208 N A LYS A 28 ? -8.41115 6.39556 -9.26410 0.118 5.40364 N ? A ? 16 N 1
   ATOM 209 CA A LYS A 28 ? -8.90716 5.35914 -10.15260 0.118 6.38568 C ? A ? 16 CA 1
   ATOM 210 C A LYS A 28 ? -8.17139 4.03292 -10.00277 0.118 6.96582 C ? A ? 16 C 1
   ATOM 211 O A LYS A 28 ? -8.61531 3.04046 -10.58077 0.118 6.00137 O ? A ? 16 O 1
   ATOM 212 CB A LYS A 28 ? -8.88454 5.83103 -11.60738 0.118 8.21821 C ? A ? 16 CB 1
   ATOM 213 CG A LYS A 28 ? -7.51469 5.97078 -12.17872 0.118 6.12174 C ? A ? 16 CG 1
   ATOM 214 CD A LYS A 28 ? -7.62486 6.29707 -13.65822 0.118 11.80152 C ? A ? 16 CD 1
   ATOM 215 CE A LYS A 28 ? -8.06717 5.08602 -14.46901 0.118 11.48192 C ? A ? 16 CE 1
   ATOM 216 NZ A LYS A 28 ? -8.28085 5.46147 -15.89320 0.118 16.59526 N ? A ? 16 NZ 1
   ATOM 217 N B LYS A 28 ? -7.92689 6.47164 -9.36244 0.698 6.74138 N ? A ? 16 N 1
   ATOM 218 CA B LYS A 28 ? -8.33947 5.37707 -10.22852 0.698 7.55071 C ? A ? 16 CA 1
   ATOM 219 C B LYS A 28 ? -7.73386 4.02129 -9.86692 0.698 5.71586 C ? A ? 16 C 1
   ATOM 220 O B LYS A 28 ? -8.25841 2.96157 -10.31291 0.698 8.60492 O ? A ? 16 O 1
   ATOM 221 CB B LYS A 28 ? -8.00011 5.72672 -11.68644 0.698 8.38877 C ? A ? 16 CB 1
   ATOM 222 CG B LYS A 28 ? -9.07511 6.53283 -12.29775 0.698 11.35719 C ? A ? 16 CG 1
   ATOM 223 CD B LYS A 28 ? -8.79352 6.82055 -13.78549 0.698 13.12036 C ? A ? 16 CD 1
   ATOM 224 CE B LYS A 28 ? -8.61602 5.60232 -14.58930 0.698 14.18108 C ? A ? 16 CE 1
   ATOM 225 NZ B LYS A 28 ? -9.83749 4.73161 -14.73639 0.698 14.52789 N ? A ? 16 NZ 1
   ATOM 226 N C LYS A 28 ? -7.94173 6.58499 -9.40589 0.184 6.61960 N ? A ? 16 N 1
   ATOM 227 CA C LYS A 28 ? -8.28768 5.59906 -10.42583 0.184 6.08830 C ? A ? 16 CA 1
   ATOM 228 C C LYS A 28 ? -7.66971 4.22509 -10.18603 0.184 5.52729 C ? A ? 16 C 1
   ATOM 229 O C LYS A 28 ? -8.13574 3.25437 -10.79340 0.184 4.09717 O ? A ? 16 O 1
   ATOM 230 CB C LYS A 28 ? -7.87030 6.04761 -11.83441 0.184 6.01704 C ? A ? 16 CB 1
   ATOM 231 CG C LYS A 28 ? -8.83738 6.97452 -12.52874 0.184 8.83151 C ? A ? 16 CG 1
   ATOM 232 CD C LYS A 28 ? -8.35786 7.25637 -13.94872 0.184 12.32866 C ? A ? 16 CD 1
   ATOM 233 CE C LYS A 28 ? -8.20318 5.98088 -14.77675 0.184 11.12422 C ? A ? 16 CE 1
   ATOM 234 NZ C LYS A 28 ? -9.47547 5.22966 -15.03736 0.184 11.72634 N ? A ? 16 NZ 1
   ATOM 235 N A LYS A 29 ? -7.06628 3.97642 -9.26013 0.180 5.06238 N ? A ? 17 N 1
   ATOM 236 CA A LYS A 29 ? -6.32998 2.74873 -9.00497 0.180 6.32635 C ? A ? 17 CA 1
   ATOM 237 C A LYS A 29 ? -5.77240 2.15979 -10.29986 0.180 4.98586 C ? A ? 17 C 1
   ATOM 238 O A LYS A 29 ? -5.94090 0.97192 -10.59679 0.180 4.70951 O ? A ? 17 O 1
   ATOM 239 CB A LYS A 29 ? -7.18408 1.74045 -8.23092 0.180 4.47496 C ? A ? 17 CB 1
   ATOM 240 CG A LYS A 29 ? -7.74030 2.30155 -6.91133 0.180 6.85960 C ? A ? 17 CG 1
   ATOM 241 CD A LYS A 29 ? -6.62301 2.59115 -5.89802 0.180 7.02848 C ? A ? 17 CD 1
   ATOM 242 CE A LYS A 29 ? -7.13096 2.74285 -4.45269 0.180 8.50046 C ? A ? 17 CE 1
   ATOM 243 NZ A LYS A 29 ? -6.15327 3.40286 -3.54326 0.180 11.76682 N ? A ? 17 NZ 1
   ATOM 244 N B LYS A 29 ? -6.61588 3.98945 -9.15320 0.538 5.76565 N ? A ? 17 N 1
   ATOM 245 CA B LYS A 29 ? -5.84765 2.78003 -8.88841 0.538 6.48410 C ? A ? 17 CA 1
   ATOM 246 C B LYS A 29 ? -5.33284 2.16695 -10.19536 0.538 5.57838 C ? A ? 17 C 1
   ATOM 247 O B LYS A 29 ? -5.36563 0.93794 -10.43022 0.538 5.21198 O ? A ? 17 O 1
   ATOM 248 CB B LYS A 29 ? -6.61546 1.73752 -8.04794 0.538 6.38373 C ? A ? 17 CB 1
   ATOM 249 CG B LYS A 29 ? -7.31936 2.37360 -6.86009 0.538 8.44728 C ? A ? 17 CG 1
   ATOM 250 CD B LYS A 29 ? -6.28639 2.70989 -5.81540 0.538 8.77102 C ? A ? 17 CD 1
   ATOM 251 CE B LYS A 29 ? -6.91691 3.42955 -4.69097 0.538 7.31360 C ? A ? 17 CE 1
   ATOM 252 NZ B LYS A 29 ? -6.13702 3.45666 -3.43234 0.538 12.05264 N ? A ? 17 NZ 1
   ATOM 253 N C LYS A 29 ? -6.61593 4.11726 -9.37048 0.283 6.07010 N ? A ? 17 N 1
   ATOM 254 CA C LYS A 29 ? -5.88386 2.87187 -9.11205 0.283 5.64223 C ? A ? 17 CA 1
   ATOM 255 C C LYS A 29 ? -5.31774 2.24238 -10.40227 0.283 5.93813 C ? A ? 17 C 1
   ATOM 256 O C LYS A 29 ? -5.61381 1.09625 -10.79799 0.283 4.95429 O ? A ? 17 O 1
   ATOM 257 CB C LYS A 29 ? -6.66063 1.87641 -8.22131 0.283 7.24182 C ? A ? 17 CB 1
   ATOM 258 CG C LYS A 29 ? -6.96047 2.39653 -6.76740 0.283 7.41778 C ? A ? 17 CG 1
   ATOM 259 CD C LYS A 29 ? -5.71235 2.74606 -5.90035 0.283 8.36683 C ? A ? 17 CD 1
   ATOM 260 CE C LYS A 29 ? -6.08799 3.02617 -4.45942 0.283 9.74500 C ? A ? 17 CE 1
   ATOM 261 NZ C LYS A 29 ? -6.63888 4.36009 -4.16547 0.283 5.83414 N ? A ? 17 NZ 1
   ATOM 262 N A ASP A 30 ? -5.09682 3.01950 -11.07408 0.116 5.21186 N ? A ? 18 N 1
   ATOM 263 CA A ASP A 30 ? -4.46921 2.67093 -12.34811 0.116 5.57159 C ? A ? 18 CA 1
   ATOM 264 C A ASP A 30 ? -2.94351 2.68820 -12.28427 0.116 5.52160 C ? A ? 18 C 1
   ATOM 265 O A ASP A 30 ? -2.28902 2.52321 -13.31590 0.116 6.11103 O ? A ? 18 O 1
   ATOM 266 CB A ASP A 30 ? -4.93541 3.61914 -13.46697 0.116 5.55785 C ? A ? 18 CB 1
   ATOM 267 CG A ASP A 30 ? -4.45873 5.06179 -13.25351 0.116 5.79411 C ? A ? 18 CG 1
   ATOM 268 OD1 A ASP A 30 ? -3.89007 5.35480 -12.18589 0.116 5.56270 O ? A ? 18 OD1 1
   ATOM 269 OD2 A ASP A 30 ? -4.65209 5.91727 -14.14092 0.116 4.76822 O ? A ? 18 OD2 1
   ATOM 270 N B ASP A 30 ? -4.82146 3.05178 -11.07473 0.693 5.23568 N ? A ? 18 N 1
   ATOM 271 CA B ASP A 30 ? -4.24268 2.67669 -12.36394 0.693 5.46147 C ? A ? 18 CA 1
   ATOM 272 C B ASP A 30 ? -2.72000 2.69929 -12.32480 0.693 6.09509 C ? A ? 18 C 1
   ATOM 273 O B ASP A 30 ? -2.07624 2.67070 -13.36814 0.693 5.95502 O ? A ? 18 O 1
   ATOM 274 CB B ASP A 30 ? -4.81019 3.56059 -13.50676 0.693 5.54095 C ? A ? 18 CB 1
   ATOM 275 CG B ASP A 30 ? -4.59180 5.04874 -13.25190 0.693 5.66005 C ? A ? 18 CG 1
   ATOM 276 OD1 B ASP A 30 ? -3.72042 5.42985 -12.41005 0.693 5.69602 O ? A ? 18 OD1 1
   ATOM 277 OD2 B ASP A 30 ? -5.28761 5.84880 -13.90785 0.693 6.05445 O ? A ? 18 OD2 1
   ATOM 278 N C ASP A 30 ? -4.41926 3.00010 -11.02773 0.192 4.84802 N ? A ? 18 N 1
   ATOM 279 CA C ASP A 30 ? -3.79489 2.58533 -12.27730 0.192 4.19128 C ? A ? 18 CA 1
   ATOM 280 C C ASP A 30 ? -2.27155 2.58181 -12.21893 0.192 6.66803 C ? A ? 18 C 1
   ATOM 281 O C ASP A 30 ? -1.61671 2.37713 -13.24618 0.192 5.06762 O ? A ? 18 O 1
   ATOM 282 CB C ASP A 30 ? -4.30565 3.47398 -13.40744 0.192 7.26209 C ? A ? 18 CB 1
   ATOM 283 CG C ASP A 30 ? -4.12337 4.94188 -13.11423 0.192 6.26695 C ? A ? 18 CG 1
   ATOM 284 OD1 C ASP A 30 ? -3.29304 5.30467 -12.24392 0.192 3.42774 O ? A ? 18 OD1 1
   ATOM 285 OD2 C ASP A 30 ? -4.81953 5.73553 -13.76075 0.192 5.09575 O ? A ? 18 OD2 1
   ATOM 286 N A ARG A 31 ? -2.35682 2.92663 -11.11189 0.027 5.65336 N ? A ? 19 N 1
   ATOM 287 CA A ARG A 31 ? -0.89846 2.99913 -10.95731 0.027 6.00768 C ? A ? 19 CA 1
   ATOM 288 C A ARG A 31 ? -0.25347 4.10557 -11.80237 0.027 5.46590 C ? A ? 19 C 1
   ATOM 289 O A ARG A 31 ? 0.89326 3.97874 -12.23117 0.027 5.99431 O ? A ? 19 O 1
   ATOM 290 CB A ARG A 31 ? -0.22151 1.64292 -11.19362 0.027 6.21221 C ? A ? 19 CB 1
   ATOM 291 CG A ARG A 31 ? -0.50989 0.62129 -10.10873 0.027 6.65507 C ? A ? 19 CG 1
   ATOM 292 CD A ARG A 31 ? 0.67987 0.47754 -9.18271 0.027 7.35432 C ? A ? 19 CD 1
   ATOM 293 NE A ARG A 31 ? 1.71970 -0.32704 -9.81017 0.027 7.63191 N ? A ? 19 NE 1
   ATOM 294 CZ A ARG A 31 ? 1.75883 -1.65151 -9.77440 0.027 10.30751 C ? A ? 19 CZ 1
   ATOM 295 NH1 A ARG A 31 ? 0.86404 -2.35319 -9.09999 0.027 8.58057 N ? A ? 19 NH1 1
   ATOM 296 NH2 A ARG A 31 ? 2.71067 -2.28960 -10.44366 0.027 13.38723 N ? A ? 19 NH2 1
   ATOM 297 N B ARG A 31 ? -2.11392 2.76727 -11.13487 0.787 5.73710 N ? A ? 19 N 1
   ATOM 298 CA B ARG A 31 ? -0.68240 2.91953 -10.99496 0.787 6.50867 C ? A ? 19 CA 1
   ATOM 299 C B ARG A 31 ? -0.13206 4.05547 -11.83407 0.787 5.37395 C ? A ? 19 C 1
   ATOM 300 O B ARG A 31 ? 1.02983 4.06549 -12.20284 0.787 6.29995 O ? A ? 19 O 1
   ATOM 301 CB B ARG A 31 ? 0.09939 1.60902 -11.17545 0.787 6.12365 C ? A ? 19 CB 1
   ATOM 302 CG B ARG A 31 ? -0.19819 0.61100 -10.05950 0.787 6.93052 C ? A ? 19 CG 1
   ATOM 303 CD B ARG A 31 ? 0.73857 -0.58889 -10.03161 0.787 9.25123 C ? A ? 19 CD 1
   ATOM 304 NE B ARG A 31 ? 2.13448 -0.31537 -9.72907 0.787 8.30476 N ? A ? 19 NE 1
   ATOM 305 CZ B ARG A 31 ? 2.58885 -0.08114 -8.49090 0.787 8.75635 C ? A ? 19 CZ 1
   ATOM 306 NH1 B ARG A 31 ? 1.76777 0.02689 -7.45123 0.787 9.24484 N ? A ? 19 NH1 1
   ATOM 307 NH2 B ARG A 31 ? 3.89517 0.08762 -8.30154 0.787 10.86846 N ? A ? 19 NH2 1
   ATOM 308 N C ARG A 31 ? -1.69317 2.80445 -11.04152 0.186 3.65929 N ? A ? 19 N 1
   ATOM 309 CA C ARG A 31 ? -0.24977 2.87914 -10.85040 0.186 7.15003 C ? A ? 19 CA 1
   ATOM 310 C C ARG A 31 ? 0.39736 3.93261 -11.75492 0.186 3.97940 C ? A ? 19 C 1
   ATOM 311 O C ARG A 31 ? 1.57758 3.84413 -12.07423 0.186 6.82711 O ? A ? 19 O 1
   ATOM 312 CB C ARG A 31 ? 0.40092 1.49014 -10.96925 0.186 6.40816 C ? A ? 19 CB 1
   ATOM 313 CG C ARG A 31 ? -0.11133 0.51471 -9.87110 0.186 6.97495 C ? A ? 19 CG 1
   ATOM 314 CD C ARG A 31 ? 0.79692 -0.72236 -9.63147 0.186 6.41929 C ? A ? 19 CD 1
   ATOM 315 NE C ARG A 31 ? 2.16533 -0.35489 -9.28138 0.186 7.21498 N ? A ? 19 NE 1
   ATOM 316 CZ C ARG A 31 ? 2.62306 -0.18145 -8.04590 0.186 4.57310 C ? A ? 19 CZ 1
   ATOM 317 NH1 C ARG A 31 ? 1.85108 -0.37043 -6.98316 0.186 6.49577 N ? A ? 19 NH1 1
   ATOM 318 NH2 C ARG A 31 ? 3.89953 0.14958 -7.87260 0.186 6.26109 N ? A ? 19 NH2 1
   ATOM 319 N A GLY A 32 ? -0.95450 5.22135 -12.01745 0.195 5.49611 N ? A ? 20 N 1
   ATOM 320 CA A GLY A 32 ? -0.43246 6.26094 -12.90692 0.195 5.80302 C ? A ? 20 CA 1
   ATOM 321 C A GLY A 32 ? 0.65241 7.15188 -12.31086 0.195 5.39530 C ? A ? 20 C 1
   ATOM 322 O A GLY A 32 ? 1.46429 7.72087 -13.05335 0.195 6.67196 O ? A ? 20 O 1
   ATOM 323 N B GLY A 32 ? -0.94812 5.09238 -12.00507 0.698 5.29853 N ? A ? 20 N 1
   ATOM 324 CA B GLY A 32 ? -0.54600 6.18990 -12.89796 0.698 6.09775 C ? A ? 20 CA 1
   ATOM 325 C B GLY A 32 ? 0.30247 7.25456 -12.22570 0.698 4.94217 C ? A ? 20 C 1
   ATOM 326 O B GLY A 32 ? 0.96398 8.07089 -12.89095 0.698 5.69632 O ? A ? 20 O 1
   ATOM 327 N C GLY A 32 ? -0.35619 4.98758 -12.09934 0.107 5.61249 N ? A ? 20 N 1
   ATOM 328 CA C GLY A 32 ? 0.11520 6.03602 -12.99852 0.107 4.06594 C ? A ? 20 CA 1
   ATOM 329 C C GLY A 32 ? 0.80074 7.18109 -12.28827 0.107 5.49194 C ? A ? 20 C 1
   ATOM 330 O C GLY A 32 ? 1.54260 7.95458 -12.90437 0.107 6.16315 O ? A ? 20 O 1
   ATOM 331 N A VAL A 33 ? 0.66143 7.31743 -10.98630 0.219 4.57892 N ? A ? 21 N 1
   ATOM 332 CA A VAL A 33 ? 1.65238 8.08440 -10.23321 0.219 4.67398 C ? A ? 21 CA 1
   ATOM 333 C A VAL A 33 ? 2.11944 7.17996 -9.09788 0.219 4.21432 C ? A ? 21 C 1
   ATOM 334 O A VAL A 33 ? 1.30879 6.76777 -8.25843 0.219 5.00797 O ? A ? 21 O 1
   ATOM 335 CB A VAL A 33 ? 1.03516 9.37457 -9.66341 0.219 4.95388 C ? A ? 21 CB 1
   ATOM 336 CG1 A VAL A 33 ? 2.07513 10.17005 -8.84367 0.219 4.81956 C ? A ? 21 CG1 1
   ATOM 337 CG2 A VAL A 33 ? 0.40839 10.20535 -10.78379 0.219 5.78066 C ? A ? 21 CG2 1
   ATOM 338 N B VAL A 33 ? 0.27586 7.29294 -10.88784 0.710 5.83480 N ? A ? 21 N 1
   ATOM 339 CA B VAL A 33 ? 1.12493 8.15464 -10.05586 0.710 5.12755 C ? A ? 21 CA 1
   ATOM 340 C B VAL A 33 ? 1.59854 7.23561 -8.94177 0.710 4.75396 C ? A ? 21 C 1
   ATOM 341 O B VAL A 33 ? 0.78180 6.79643 -8.12608 0.710 5.22634 O ? A ? 21 O 1
   ATOM 342 CB B VAL A 33 ? 0.41691 9.39403 -9.48207 0.710 4.93339 C ? A ? 21 CB 1
   ATOM 343 CG1 B VAL A 33 ? 1.44877 10.31426 -8.83464 0.710 6.27730 C ? A ? 21 CG1 1
   ATOM 344 CG2 B VAL A 33 ? -0.22156 10.15063 -10.62974 0.710 7.71096 C ? A ? 21 CG2 1
   ATOM 345 N C VAL A 33 ? 0.53588 7.30343 -10.99153 0.071 4.79559 N ? A ? 21 N 1
   ATOM 346 CA C VAL A 33 ? 1.20626 8.26136 -10.13234 0.071 5.12310 C ? A ? 21 CA 1
   ATOM 347 C C VAL A 33 ? 1.84391 7.47700 -8.98399 0.071 5.09622 C ? A ? 21 C 1
   ATOM 348 O C VAL A 33 ? 1.15630 6.81644 -8.19735 0.071 5.08705 O ? A ? 21 O 1
   ATOM 349 CB C VAL A 33 ? 0.23878 9.36854 -9.64186 0.071 4.99356 C ? A ? 21 CB 1
   ATOM 350 CG1 C VAL A 33 ? 0.96979 10.39070 -8.77596 0.071 4.84932 C ? A ? 21 CG1 1
   ATOM 351 CG2 C VAL A 33 ? -0.43193 10.04860 -10.83236 0.071 6.53181 C ? A ? 21 CG2 1
   ATOM 352 N A LEU A 34 ? 3.40587 6.85136 -9.08439 0.242 5.96087 N ? A ? 22 N 1
   ATOM 353 CA A LEU A 34 ? 3.94512 5.91668 -8.10826 0.242 3.26881 C ? A ? 22 CA 1
   ATOM 354 C A LEU A 34 ? 4.82135 6.68796 -7.16541 0.242 6.14454 C ? A ? 22 C 1
   ATOM 355 O A LEU A 34 ? 5.74623 7.39882 -7.60483 0.242 5.18528 O ? A ? 22 O 1
   ATOM 356 CB A LEU A 34 ? 4.71514 4.76771 -8.75157 0.242 5.01725 C ? A ? 22 CB 1
   ATOM 357 CG A LEU A 34 ? 3.79667 3.73232 -9.40445 0.242 3.72088 C ? A ? 22 CG 1
   ATOM 358 CD1 A LEU A 34 ? 4.64141 2.67403 -10.05298 0.242 5.91535 C ? A ? 22 CD1 1
   ATOM 359 CD2 A LEU A 34 ? 2.82200 3.11981 -8.38589 0.242 5.86362 C ? A ? 22 CD2 1
   ATOM 360 N B LEU A 34 ? 2.89923 6.98740 -8.86859 0.758 4.63052 N ? A ? 22 N 1
   ATOM 361 CA B LEU A 34 ? 3.50623 6.03569 -7.94249 0.758 5.67741 C ? A ? 22 CA 1
   ATOM 362 C B LEU A 34 ? 4.56013 6.76251 -7.11271 0.758 5.51194 C ? A ? 22 C 1
   ATOM 363 O B LEU A 34 ? 5.32665 7.57845 -7.65152 0.758 6.46114 O ? A ? 22 O 1
   ATOM 364 CB B LEU A 34 ? 4.13167 4.87122 -8.70125 0.758 4.43988 C ? A ? 22 CB 1
   ATOM 365 CG B LEU A 34 ? 3.25390 4.04101 -9.61249 0.758 5.90390 C ? A ? 22 CG 1
   ATOM 366 CD1 B LEU A 34 ? 4.08520 3.04778 -10.40531 0.758 5.92451 C ? A ? 22 CD1 1
   ATOM 367 CD2 B LEU A 34 ? 2.36972 3.29594 -8.71387 0.758 8.17130 C ? A ? 22 CD2 1
   ATOM 368 N A LYS A 35 ? 4.48200 6.56965 -5.88971 0.294 4.96609 N ? A ? 23 N 1
   ATOM 369 CA A LYS A 35 ? 5.13258 7.28577 -4.82783 0.294 3.54662 C ? A ? 23 CA 1
   ATOM 370 C A LYS A 35 ? 5.93247 6.34147 -3.92710 0.294 5.69736 C ? A ? 23 C 1
   ATOM 371 O A LYS A 35 ? 5.39812 5.33069 -3.42762 0.294 4.34517 O ? A ? 23 O 1
   ATOM 372 CB A LYS A 35 ? 4.10823 8.03835 -3.97589 0.294 4.75548 C ? A ? 23 CB 1
   ATOM 373 CG A LYS A 35 ? 4.80957 8.77901 -2.89052 0.294 4.06517 C ? A ? 23 CG 1
   ATOM 374 CD A LYS A 35 ? 3.90789 9.45523 -1.88778 0.294 5.57023 C ? A ? 23 CD 1
   ATOM 375 CE A LYS A 35 ? 4.65170 10.63296 -1.21673 0.294 4.14960 C ? A ? 23 CE 1
   ATOM 376 NZ A LYS A 35 ? 3.85687 10.99818 0.01492 0.294 5.87490 N ? A ? 23 NZ 1
   ATOM 377 N B LYS A 35 ? 4.65533 6.42543 -5.81361 0.706 5.20396 N ? A ? 23 N 1
   ATOM 378 CA B LYS A 35 ? 5.45513 7.21672 -4.89636 0.706 5.21675 C ? A ? 23 CA 1
   ATOM 379 C B LYS A 35 ? 6.34009 6.33159 -4.01873 0.706 6.10875 C ? A ? 23 C 1
   ATOM 380 O B LYS A 35 ? 5.89782 5.29036 -3.48744 0.706 5.51710 O ? A ? 23 O 1
   ATOM 381 CB B LYS A 35 ? 4.56865 8.04535 -3.99188 0.706 4.37710 C ? A ? 23 CB 1
   ATOM 382 CG B LYS A 35 ? 5.28504 8.97082 -2.99780 0.706 6.81939 C ? A ? 23 CG 1
   ATOM 383 CD B LYS A 35 ? 4.29788 9.70714 -2.10540 0.706 6.61897 C ? A ? 23 CD 1
   ATOM 384 CE B LYS A 35 ? 5.03794 10.38701 -0.98221 0.706 8.79715 C ? A ? 23 CE 1
   ATOM 385 NZ B LYS A 35 ? 4.12083 10.99415 0.07598 0.706 7.40573 N ? A ? 23 NZ 1
   ATOM 386 N A ILE A 36 ? 7.20043 6.71655 -3.66292 0.297 6.37515 N ? A ? 24 N 1
   ATOM 387 CA A ILE A 36 ? 7.97280 6.26099 -2.49024 0.297 6.29239 C ? A ? 24 CA 1
   ATOM 388 C A ILE A 36 ? 8.51719 7.51240 -1.75298 0.297 5.99533 C ? A ? 24 C 1
   ATOM 389 O A ILE A 36 ? 8.97884 8.46841 -2.39999 0.297 5.56860 O ? A ? 24 O 1
   ATOM 390 CB A ILE A 36 ? 9.10474 5.26009 -2.86738 0.297 6.84026 C ? A ? 24 CB 1
   ATOM 391 CG1 A ILE A 36 ? 8.51835 3.98928 -3.50197 0.297 9.92318 C ? A ? 24 CG1 1
   ATOM 392 CG2 A ILE A 36 ? 9.98505 4.91184 -1.65882 0.297 4.60119 C ? A ? 24 CG2 1
   ATOM 393 CD1 A ILE A 36 ? 9.53924 2.91479 -3.81559 0.297 10.79886 C ? A ? 24 CD1 1
   ATOM 394 N B ILE A 36 ? 7.56687 6.80371 -3.76699 0.703 5.25175 N ? A ? 24 N 1
   ATOM 395 CA B ILE A 36 ? 8.39339 6.23127 -2.68800 0.703 5.67471 C ? A ? 24 CA 1
   ATOM 396 C B ILE A 36 ? 8.96485 7.39708 -1.92447 0.703 5.97304 C ? A ? 24 C 1
   ATOM 397 O B ILE A 36 ? 9.61019 8.27928 -2.50217 0.703 5.84951 O ? A ? 24 O 1
   ATOM 398 CB B ILE A 36 ? 9.53587 5.33747 -3.18815 0.703 8.65052 C ? A ? 24 CB 1
   ATOM 399 CG1 B ILE A 36 ? 8.97077 4.07601 -3.81950 0.703 6.96244 C ? A ? 24 CG1 1
   ATOM 400 CG2 B ILE A 36 ? 10.43209 4.89497 -2.08024 0.703 10.13752 C ? A ? 24 CG2 1
   ATOM 401 CD1 B ILE A 36 ? 9.98498 3.02330 -4.30189 0.703 8.50858 C ? A ? 24 CD1 1
   ATOM 402 N A VAL A 37 ? 8.42392 7.52355 -0.40650 0.280 5.56225 N ? A ? 25 N 1
   ATOM 403 CA A VAL A 37 ? 9.02387 8.56607 0.44471 0.280 8.42598 C ? A ? 25 CA 1
   ATOM 404 C A VAL A 37 ? 10.52892 8.35909 0.55470 0.280 7.02972 C ? A ? 25 C 1
   ATOM 405 O A VAL A 37 ? 10.99513 7.35239 1.11480 0.280 6.16777 O ? A ? 25 O 1
   ATOM 406 CB A VAL A 37 ? 8.38462 8.61582 1.84834 0.280 5.37226 C ? A ? 25 CB 1
   ATOM 407 CG1 A VAL A 37 ? 9.16403 9.58505 2.76992 0.280 7.99510 C ? A ? 25 CG1 1
   ATOM 408 CG2 A VAL A 37 ? 6.94195 9.00147 1.71538 0.280 8.33671 C ? A ? 25 CG2 1
   ATOM 409 N B VAL A 37 ? 8.79077 7.35246 -0.62190 0.720 5.39214 N ? A ? 25 N 1
   ATOM 410 CA B VAL A 37 ? 9.35277 8.35995 0.23848 0.720 6.34257 C ? A ? 25 CA 1
   ATOM 411 C B VAL A 37 ? 10.84835 8.16670 0.29358 0.720 5.27344 C ? A ? 25 C 1
   ATOM 412 O B VAL A 37 ? 11.31616 7.04484 0.52729 0.720 6.32195 O ? A ? 25 O 1
   ATOM 413 CB B VAL A 37 ? 8.73544 8.30147 1.65068 0.720 6.60495 C ? A ? 25 CB 1
   ATOM 414 CG1 B VAL A 37 ? 9.49868 9.22799 2.61078 0.720 8.79571 C ? A ? 25 CG1 1
   ATOM 415 CG2 B VAL A 37 ? 7.25379 8.67332 1.61000 0.720 8.59308 C ? A ? 25 CG2 1
   ATOM 416 N C VAL A 37 ? 8.81452 7.50265 -0.62356 0.000 5.75812 N ? A ? 25 N 1
   ATOM 417 CA C VAL A 37 ? 9.36093 8.52231 0.26370 0.000 6.74220 C ? A ? 25 CA 1
   ATOM 418 C C VAL A 37 ? 10.87888 8.40517 0.35314 0.000 6.27623 C ? A ? 25 C 1
   ATOM 419 O C VAL A 37 ? 11.40652 7.38435 0.79378 0.000 6.98765 O ? A ? 25 O 1
   ATOM 420 CB C VAL A 37 ? 8.70889 8.46438 1.65781 0.000 6.66350 C ? A ? 25 CB 1
   ATOM 421 CG1 C VAL A 37 ? 9.27998 9.55049 2.55638 0.000 7.86393 C ? A ? 25 CG1 1
   ATOM 422 CG2 C VAL A 37 ? 7.19755 8.59687 1.54285 0.000 8.40683 C ? A ? 25 CG2 1
   ATOM 423 N A LYS A 38 ? 11.28526 9.34906 0.07560 0.224 6.75758 N ? A ? 26 N 1
   ATOM 424 CA A LYS A 38 ? 12.73794 9.28301 0.06799 0.224 6.54112 C ? A ? 26 CA 1
   ATOM 425 C A LYS A 38 ? 13.33728 9.68601 1.41279 0.224 7.20325 C ? A ? 26 C 1
   ATOM 426 O A LYS A 38 ? 13.98223 8.87279 2.07716 0.224 8.10791 O ? A ? 26 O 1
   ATOM 427 CB A LYS A 38 ? 13.28263 10.14464 -1.07743 0.224 6.95915 C ? A ? 26 CB 1
   ATOM 428 CG A LYS A 38 ? 14.76483 9.98582 -1.27431 0.224 7.71352 C ? A ? 26 CG 1
   ATOM 429 CD A LYS A 38 ? 15.33515 10.89352 -2.31156 0.224 9.75807 C ? A ? 26 CD 1
   ATOM 430 CE A LYS A 38 ? 16.70835 10.38553 -2.73033 0.224 9.33529 C ? A ? 26 CE 1
   ATOM 431 NZ A LYS A 38 ? 17.64010 10.41047 -1.53861 0.224 8.86163 N ? A ? 26 NZ 1
   ATOM 432 N B LYS A 38 ? 11.58600 9.26480 0.06095 0.744 6.63616 N ? A ? 26 N 1
   ATOM 433 CA B LYS A 38 ? 13.02765 9.30754 0.13375 0.744 6.98483 C ? A ? 26 CA 1
   ATOM 434 C B LYS A 38 ? 13.53558 9.83348 1.46638 0.744 7.26387 C ? A ? 26 C 1
   ATOM 435 O B LYS A 38 ? 14.54664 9.31302 1.96326 0.744 7.16494 O ? A ? 26 O 1
   ATOM 436 CB B LYS A 38 ? 13.57535 10.17166 -1.03688 0.744 7.36953 C ? A ? 26 CB 1
   ATOM 437 CG B LYS A 38 ? 15.08108 10.02545 -1.28428 0.744 8.28059 C ? A ? 26 CG 1
   ATOM 438 CD B LYS A 38 ? 15.69788 11.11681 -2.06630 0.744 8.81933 C ? A ? 26 CD 1
   ATOM 439 CE B LYS A 38 ? 17.00747 10.64259 -2.73526 0.744 10.85998 C ? A ? 26 CE 1
   ATOM 440 NZ B LYS A 38 ? 17.96925 10.10108 -1.70126 0.744 10.49581 N ? A ? 26 NZ 1
   ATOM 441 N C LYS A 38 ? 11.57929 9.45855 -0.06867 0.033 6.81641 N ? A ? 26 N 1
   ATOM 442 CA C LYS A 38 ? 13.03775 9.44169 -0.03915 0.033 7.05224 C ? A ? 26 CA 1
   ATOM 443 C C LYS A 38 ? 13.56706 9.86303 1.32762 0.033 7.21367 C ? A ? 26 C 1
   ATOM 444 O C LYS A 38 ? 14.45408 9.21156 1.88872 0.033 7.25149 O ? A ? 26 O 1
   ATOM 445 CB C LYS A 38 ? 13.59291 10.34873 -1.14046 0.033 7.32212 C ? A ? 26 CB 1
   ATOM 446 CG C LYS A 38 ? 15.07170 10.14860 -1.41535 0.033 7.89600 C ? A ? 26 CG 1
   ATOM 447 CD C LYS A 38 ? 15.55299 11.00536 -2.57034 0.033 9.58799 C ? A ? 26 CD 1
   ATOM 448 CE C LYS A 38 ? 16.93450 10.56390 -3.02905 0.033 10.59941 C ? A ? 26 CE 1
   ATOM 449 NZ C LYS A 38 ? 17.92822 10.55567 -1.91510 0.033 10.01898 N ? A ? 26 NZ 1
   ATOM 450 N A ARG A 39 ? 13.15070 10.93088 1.82155 0.254 5.91606 N ? A ? 27 N 1
   ATOM 451 CA A ARG A 39 ? 13.51743 11.40326 3.14022 0.254 5.50950 C ? A ? 27 CA 1
   ATOM 452 C A ARG A 39 ? 12.21851 11.60717 3.91008 0.254 5.31207 C ? A ? 27 C 1
   ATOM 453 O A ARG A 39 ? 11.34331 12.34875 3.45684 0.254 6.06554 O ? A ? 27 O 1
   ATOM 454 CB A ARG A 39 ? 14.29270 12.72225 3.03227 0.254 6.18034 C ? A ? 27 CB 1
   ATOM 455 CG A ARG A 39 ? 14.72439 13.23401 4.39810 0.254 5.91278 C ? A ? 27 CG 1
   ATOM 456 CD A ARG A 39 ? 15.55817 14.47792 4.38101 0.254 5.05788 C ? A ? 27 CD 1
   ATOM 457 NE A ARG A 39 ? 14.71143 15.63441 4.09956 0.254 6.14464 N ? A ? 27 NE 1
   ATOM 458 CZ A ARG A 39 ? 15.16498 16.79939 3.67022 0.254 5.54283 C ? A ? 27 CZ 1
   ATOM 459 NH1 A ARG A 39 ? 16.43299 16.95699 3.34212 0.254 6.86658 N ? A ? 27 NH1 1
   ATOM 460 NH2 A ARG A 39 ? 14.31671 17.81723 3.54405 0.254 6.66482 N ? A ? 27 NH2 1
   ATOM 461 N B ARG A 39 ? 12.86833 10.84436 2.04232 0.608 5.70299 N ? A ? 27 N 1
   ATOM 462 CA B ARG A 39 ? 13.13529 11.38786 3.36319 0.608 7.34888 C ? A ? 27 CA 1
   ATOM 463 C B ARG A 39 ? 11.78609 11.62573 4.02672 0.608 6.26334 C ? A ? 27 C 1
   ATOM 464 O B ARG A 39 ? 10.93574 12.33674 3.50527 0.608 5.88140 O ? A ? 27 O 1
   ATOM 465 CB B ARG A 39 ? 13.96005 12.70139 3.31091 0.608 7.69622 C ? A ? 27 CB 1
   ATOM 466 CG B ARG A 39 ? 14.38559 13.17573 4.69404 0.608 8.29478 C ? A ? 27 CG 1
   ATOM 467 CD B ARG A 39 ? 15.14512 14.47677 4.61973 0.608 5.97764 C ? A ? 27 CD 1
   ATOM 468 NE B ARG A 39 ? 14.25966 15.58716 4.20142 0.608 6.13546 N ? A ? 27 NE 1
   ATOM 469 CZ B ARG A 39 ? 14.69627 16.75185 3.75186 0.608 6.48981 C ? A ? 27 CZ 1
   ATOM 470 NH1 B ARG A 39 ? 15.97417 16.93122 3.48840 0.608 7.63471 N ? A ? 27 NH1 1
   ATOM 471 NH2 B ARG A 39 ? 13.81869 17.73136 3.56561 0.608 5.47464 N ? A ? 27 NH2 1
   ATOM 472 N C ARG A 39 ? 13.03302 10.95179 1.87270 0.138 6.05376 N ? A ? 27 N 1
   ATOM 473 CA C ARG A 39 ? 13.39364 11.46040 3.18366 0.138 5.93744 C ? A ? 27 CA 1
   ATOM 474 C C ARG A 39 ? 12.10531 11.68194 3.95818 0.138 5.71095 C ? A ? 27 C 1
   ATOM 475 O C ARG A 39 ? 11.20953 12.38620 3.48520 0.138 6.14750 O ? A ? 27 O 1
   ATOM 476 CB C ARG A 39 ? 14.15162 12.78876 3.06702 0.138 6.33881 C ? A ? 27 CB 1
   ATOM 477 CG C ARG A 39 ? 14.46948 13.39425 4.41778 0.138 5.79345 C ? A ? 27 CG 1
   ATOM 478 CD C ARG A 39 ? 15.31595 14.62488 4.31256 0.138 6.09967 C ? A ? 27 CD 1
   ATOM 479 NE C ARG A 39 ? 14.55293 15.77435 3.83374 0.138 4.51500 N ? A ? 27 NE 1
   ATOM 480 CZ C ARG A 39 ? 15.11339 16.94170 3.55041 0.138 5.86175 C ? A ? 27 CZ 1
   ATOM 481 NH1 C ARG A 39 ? 16.42574 17.09291 3.58595 0.138 7.77393 N ? A ? 27 NH1 1
   ATOM 482 NH2 C ARG A 39 ? 14.34168 17.97923 3.21723 0.138 6.55849 N ? A ? 27 NH2 1
   ATOM 483 N A VAL A 40 ? 12.09107 10.95950 5.08029 0.450 5.94241 N ? A ? 28 N 1
   ATOM 484 CA A VAL A 40 ? 10.87063 11.06980 5.89416 0.450 5.93659 C ? A ? 28 CA 1
   ATOM 485 C A VAL A 40 ? 10.72525 12.47234 6.46800 0.450 7.46858 C ? A ? 28 C 1
   ATOM 486 O A VAL A 40 ? 11.69422 13.07498 6.95356 0.450 7.89164 O ? A ? 28 O 1
   ATOM 487 CB A VAL A 40 ? 10.89640 10.03514 7.04109 0.450 8.06160 C ? A ? 28 CB 1
   ATOM 488 CG1 A VAL A 40 ? 9.68320 10.22175 7.98635 0.450 11.63297 C ? A ? 28 CG1 1
   ATOM 489 CG2 A VAL A 40 ? 11.01859 8.62683 6.46917 0.450 6.80724 C ? A ? 28 CG2 1
   ATOM 490 N B VAL A 40 ? 11.61377 11.08974 5.23105 0.550 7.04456 N ? A ? 28 N 1
   ATOM 491 CA B VAL A 40 ? 10.41375 11.34601 6.01894 0.550 5.92539 C ? A ? 28 CA 1
   ATOM 492 C B VAL A 40 ? 10.37821 12.80715 6.50211 0.550 6.29823 C ? A ? 28 C 1
   ATOM 493 O B VAL A 40 ? 11.35998 13.34074 7.04640 0.550 8.37249 O ? A ? 28 O 1
   ATOM 494 CB B VAL A 40 ? 10.36164 10.34461 7.19178 0.550 8.86992 C ? A ? 28 CB 1
   ATOM 495 CG1 B VAL A 40 ? 9.16858 10.60711 8.12591 0.550 9.40864 C ? A ? 28 CG1 1
   ATOM 496 CG2 B VAL A 40 ? 10.30431 8.92639 6.66783 0.550 8.77319 C ? A ? 28 CG2 1
   ATOM 497 N C VAL A 40 ? 12.00775 11.08541 5.14835 0.000 6.28517 N ? A ? 28 N 1
   ATOM 498 CA C VAL A 40 ? 10.77885 11.18404 5.93019 0.000 6.21261 C ? A ? 28 CA 1
   ATOM 499 C C VAL A 40 ? 10.63810 12.58900 6.49864 0.000 7.15936 C ? A ? 28 C 1
   ATOM 500 O C VAL A 40 ? 11.58643 13.15012 7.06222 0.000 7.83822 O ? A ? 28 O 1
   ATOM 501 CB C VAL A 40 ? 10.74578 10.12693 7.04379 0.000 8.24916 C ? A ? 28 CB 1
   ATOM 502 CG1 C VAL A 40 ? 9.41793 10.19565 7.79594 0.000 9.88684 C ? A ? 28 CG1 1
   ATOM 503 CG2 C VAL A 40 ? 10.95683 8.73943 6.47150 0.000 7.11927 C ? A ? 28 CG2 1
   ATOM 504 N A GLY A 41 ? 9.51333 13.02260 6.37544 0.197 5.58827 N ? A ? 29 N 1
   ATOM 505 CA A GLY A 41 ? 9.21751 14.37291 6.82030 0.197 6.61040 C ? A ? 29 CA 1
   ATOM 506 C A GLY A 41 ? 8.82536 14.41091 8.28768 0.197 6.92515 C ? A ? 29 C 1
   ATOM 507 O A GLY A 41 ? 9.15815 13.51071 9.05965 0.197 9.20377 O ? A ? 29 O 1
   ATOM 508 N B GLY A 41 ? 9.20467 13.40823 6.43249 0.570 6.99898 N ? A ? 29 N 1
   ATOM 509 CA B GLY A 41 ? 9.00031 14.77375 6.87107 0.570 7.14171 C ? A ? 29 CA 1
   ATOM 510 C B GLY A 41 ? 8.57951 14.85233 8.32577 0.570 8.43307 C ? A ? 29 C 1
   ATOM 511 O B GLY A 41 ? 8.77074 13.91803 9.10909 0.570 9.35474 O ? A ? 29 O 1
   ATOM 512 N C GLY A 41 ? 9.44212 13.15622 6.36141 0.234 5.90983 N ? A ? 29 N 1
   ATOM 513 CA C GLY A 41 ? 9.13754 14.47002 6.87635 0.234 6.96870 C ? A ? 29 CA 1
   ATOM 514 C C GLY A 41 ? 8.55867 14.39707 8.27964 0.234 6.75507 C ? A ? 29 C 1
   ATOM 515 O C GLY A 41 ? 8.51483 13.34296 8.92112 0.234 4.22515 O ? A ? 29 O 1
   ATOM 516 N A ASN A 42 ? 8.08627 15.46204 8.67243 0.155 7.14531 N ? A ? 30 N 1
   ATOM 517 CA A ASN A 42 ? 7.71108 15.74692 10.05815 0.155 7.47371 C ? A ? 30 CA 1
   ATOM 518 C A ASN A 42 ? 6.20137 15.97858 10.17001 0.155 8.39292 C ? A ? 30 C 1
   ATOM 519 O A ASN A 42 ? 5.48368 16.06025 9.17313 0.155 9.24340 O ? A ? 30 O 1
   ATOM 520 CB A ASN A 42 ? 8.46421 16.97925 10.60976 0.155 10.70662 C ? A ? 30 CB 1
   ATOM 521 CG A ASN A 42 ? 9.84404 16.63352 11.13632 0.155 14.38548 C ? A ? 30 CG 1
   ATOM 522 OD1 A ASN A 42 ? 10.41936 15.61704 10.76604 0.155 10.41501 O ? A ? 30 OD1 1
   ATOM 523 ND2 A ASN A 42 ? 10.37382 17.47244 12.01374 0.155 16.56290 N ? A ? 30 ND2 1
   ATOM 524 N B ASN A 42 ? 7.97363 15.99380 8.68062 0.493 8.33260 N ? A ? 30 N 1
   ATOM 525 CA B ASN A 42 ? 7.72162 16.39865 10.05656 0.493 8.56795 C ? A ? 30 CA 1
   ATOM 526 C B ASN A 42 ? 6.22669 16.37546 10.30226 0.493 10.48947 C ? A ? 30 C 1
   ATOM 527 O B ASN A 42 ? 5.49144 17.09346 9.61397 0.493 14.75700 O ? A ? 30 O 1
   ATOM 528 CB B ASN A 42 ? 8.20820 17.83289 10.24598 0.493 12.66004 C ? A ? 30 CB 1
   ATOM 529 CG B ASN A 42 ? 9.58832 18.07562 9.66897 0.493 11.85895 C ? A ? 30 CG 1
   ATOM 530 OD1 B ASN A 42 ? 10.51073 17.25248 9.86061 0.493 13.93878 O ? A ? 30 OD1 1
   ATOM 531 ND2 B ASN A 42 ? 9.74735 19.22462 8.97140 0.493 14.64567 N ? A ? 30 ND2 1
   ATOM 532 N C ASN A 42 ? 8.08478 15.54782 8.74829 0.353 7.10367 N ? A ? 30 N 1
   ATOM 533 CA C ASN A 42 ? 7.68676 15.75911 10.12909 0.353 7.34920 C ? A ? 30 CA 1
   ATOM 534 C C ASN A 42 ? 6.18277 15.96926 10.24006 0.353 8.35259 C ? A ? 30 C 1
   ATOM 535 O C ASN A 42 ? 5.56004 16.59642 9.38306 0.353 8.76512 O ? A ? 30 O 1
   ATOM 536 CB C ASN A 42 ? 8.42653 16.98998 10.70103 0.353 10.63451 C ? A ? 30 CB 1
   ATOM 537 CG C ASN A 42 ? 9.91288 16.78014 10.73258 0.353 14.79239 C ? A ? 30 CG 1
   ATOM 538 OD1 C ASN A 42 ? 10.39952 15.91518 11.48218 0.353 13.70333 O ? A ? 30 OD1 1
   ATOM 539 ND2 C ASN A 42 ? 10.64811 17.52607 9.91420 0.353 14.36018 N ? A ? 30 ND2 1
   ATOM 540 N A GLY A 43 ? 5.70549 16.10441 11.40377 0.264 13.59794 N ? A ? 31 N 1
   ATOM 541 CA A GLY A 43 ? 4.27901 16.28932 11.64163 0.264 11.10618 C ? A ? 31 CA 1
   ATOM 542 C A GLY A 43 ? 3.34912 15.30098 10.94548 0.264 12.74595 C ? A ? 31 C 1
   ATOM 543 O A GLY A 43 ? 3.79680 14.25872 10.45003 0.264 13.05743 O ? A ? 31 O 1
   ATOM 544 N B GLY A 43 ? 5.78103 15.56573 11.29031 0.586 12.66588 N ? A ? 31 N 1
   ATOM 545 CA B GLY A 43 ? 4.38915 15.64088 11.75198 0.586 14.39701 C ? A ? 31 CA 1
   ATOM 546 C B GLY A 43 ? 3.46860 14.76266 10.91159 0.586 10.82759 C ? A ? 31 C 1
   ATOM 547 O B GLY A 43 ? 3.90471 13.80447 10.27444 0.586 14.59316 O ? A ? 31 O 1
   ATOM 548 N C GLY A 43 ? 5.58808 15.45929 11.31909 0.149 12.48111 N ? A ? 31 N 1
   ATOM 549 CA C GLY A 43 ? 4.19047 15.78036 11.58488 0.149 13.19903 C ? A ? 31 CA 1
   ATOM 550 C C GLY A 43 ? 3.20612 15.15648 10.60582 0.149 12.33003 C ? A ? 31 C 1
   ATOM 551 O C GLY A 43 ? 3.59501 14.71387 9.51856 0.149 11.26184 O ? A ? 31 O 1
   ATOM 552 N A GLU A 44 ? 2.05412 15.60078 10.93368 0.282 9.11854 N ? A ? 32 N 1
   ATOM 553 CA A GLU A 44 ? 1.06816 14.75117 10.27151 0.282 10.18046 C ? A ? 32 CA 1
   ATOM 554 C A GLU A 44 ? 0.18762 15.51690 9.28844 0.282 10.30326 C ? A ? 32 C 1
   ATOM 555 O A GLU A 44 ? -0.63196 14.89914 8.58580 0.282 11.39487 O ? A ? 32 O 1
   ATOM 556 CB A GLU A 44 ? 0.21016 13.98169 11.30401 0.282 9.49191 C ? A ? 32 CB 1
   ATOM 557 CG A GLU A 44 ? 0.98309 12.89344 12.07800 0.282 7.65129 C ? A ? 32 CG 1
   ATOM 558 CD A GLU A 44 ? 0.10068 11.79974 12.68771 0.282 12.89498 C ? A ? 32 CD 1
   ATOM 559 OE1 A GLU A 44 ? -1.12729 11.77781 12.42098 0.282 9.89354 O ? A ? 32 OE1 1
   ATOM 560 OE2 A GLU A 44 ? 0.63999 10.93747 13.42930 0.282 8.49288 O ? A ? 32 OE2 1
   ATOM 561 N B GLU A 44 ? 2.17409 15.10712 10.90675 0.669 10.32191 N ? A ? 32 N 1
   ATOM 562 CA B GLU A 44 ? 1.20914 14.41869 10.07159 0.669 11.46768 C ? A ? 32 CA 1
   ATOM 563 C B GLU A 44 ? 0.43859 15.29990 9.09795 0.669 11.41864 C ? A ? 32 C 1
   ATOM 564 O B GLU A 44 ? -0.20890 14.73802 8.20017 0.669 10.68666 O ? A ? 32 O 1
   ATOM 565 CB B GLU A 44 ? 0.23292 13.57171 10.89594 0.669 11.66324 C ? A ? 32 CB 1
   ATOM 566 CG B GLU A 44 ? 0.94336 12.42094 11.55365 0.669 12.89595 C ? A ? 32 CG 1
   ATOM 567 CD B GLU A 44 ? 0.06137 11.62275 12.48048 0.669 12.57851 C ? A ? 32 CD 1
   ATOM 568 OE1 B GLU A 44 ? -1.04349 12.09841 12.86153 0.669 11.83680 O ? A ? 32 OE1 1
   ATOM 569 OE2 B GLU A 44 ? 0.50188 10.51866 12.85705 0.669 16.28856 O ? A ? 32 OE2 1
   ATOM 570 N C GLU A 44 ? 1.92637 15.11882 10.96675 0.050 10.50876 N ? A ? 32 N 1
   ATOM 571 CA C GLU A 44 ? 0.91657 14.46187 10.13634 0.050 10.94415 C ? A ? 32 CA 1
   ATOM 572 C C GLU A 44 ? 0.11935 15.47082 9.30699 0.050 10.42748 C ? A ? 32 C 1
   ATOM 573 O C GLU A 44 ? -0.07121 15.29505 8.09918 0.050 11.00560 O ? A ? 32 O 1
   ATOM 574 CB C GLU A 44 ? -0.01963 13.62188 11.01306 0.050 11.40451 C ? A ? 32 CB 1
   ATOM 575 CG C GLU A 44 ? -1.12375 12.88208 10.26636 0.050 13.70976 C ? A ? 32 CG 1
   ATOM 576 CD C GLU A 44 ? -1.92651 11.96724 11.18042 0.050 12.90594 C ? A ? 32 CD 1
   ATOM 577 OE1 C GLU A 44 ? -1.48911 11.74076 12.33046 0.050 10.56829 O ? A ? 32 OE1 1
   ATOM 578 OE2 C GLU A 44 ? -2.99225 11.47653 10.75509 0.050 11.88254 O ? A ? 32 OE2 1
   ATOM 579 N A GLU A 45 ? 0.33309 16.82788 9.21522 0.235 11.95722 N ? A ? 33 N 1
   ATOM 580 CA A GLU A 45 ? -0.42679 17.61660 8.27041 0.235 10.89111 C ? A ? 33 CA 1
   ATOM 581 C A GLU A 45 ? 0.23243 17.58097 6.90594 0.235 9.02126 C ? A ? 33 C 1
   ATOM 582 O A GLU A 45 ? 1.44561 17.40651 6.76774 0.235 9.54149 O ? A ? 33 O 1
   ATOM 583 CB A GLU A 45 ? -0.51943 19.05324 8.75516 0.235 11.41518 C ? A ? 33 CB 1
   ATOM 584 CG A GLU A 45 ? -0.95316 19.11127 10.19682 0.235 11.59692 C ? A ? 33 CG 1
   ATOM 585 CD A GLU A 45 ? -2.43699 18.84878 10.38339 0.235 16.87759 C ? A ? 33 CD 1
   ATOM 586 OE1 A GLU A 45 ? -3.16517 18.65561 9.38687 0.235 17.58725 O ? A ? 33 OE1 1
   ATOM 587 OE2 A GLU A 45 ? -2.88150 18.86103 11.54739 0.235 20.34538 O ? A ? 33 OE2 1
   ATOM 588 N B GLU A 45 ? 0.46508 16.62163 9.24578 0.765 11.47524 N ? A ? 33 N 1
   ATOM 589 CA B GLU A 45 ? -0.24256 17.52251 8.32807 0.765 11.41503 C ? A ? 33 CA 1
   ATOM 590 C B GLU A 45 ? 0.29676 17.37427 6.90654 0.765 9.03565 C ? A ? 33 C 1
   ATOM 591 O B GLU A 45 ? 1.50375 17.20386 6.71818 0.765 9.36647 O ? A ? 33 O 1
   ATOM 592 CB B GLU A 45 ? -0.05991 18.97638 8.79135 0.765 10.46911 C ? A ? 33 CB 1
   ATOM 593 CG B GLU A 45 ? -0.93979 19.40750 9.97557 0.765 12.03288 C ? A ? 33 CG 1
   ATOM 594 CD B GLU A 45 ? -2.46091 19.21908 9.75684 0.765 13.07817 C ? A ? 33 CD 1
   ATOM 595 OE1 B GLU A 45 ? -3.03181 19.57613 8.70819 0.765 12.37062 O ? A ? 33 OE1 1
   ATOM 596 OE2 B GLU A 45 ? -3.14205 18.76395 10.69041 0.765 19.85272 O ? A ? 33 OE2 1
   ATOM 597 N A THR A 46 ? -0.58804 17.73043 5.89559 0.330 9.45031 N ? A ? 34 N 1
   ATOM 598 CA A THR A 46 ? -0.11246 17.83009 4.52740 0.330 6.85336 C ? A ? 34 CA 1
   ATOM 599 C A THR A 46 ? -0.72496 19.12094 4.06022 0.330 8.45476 C ? A ? 34 C 1
   ATOM 600 O A THR A 46 ? -1.58739 19.68499 4.74610 0.330 8.78882 O ? A ? 34 O 1
   ATOM 601 CB A THR A 46 ? -0.67869 16.69673 3.66418 0.330 8.41958 C ? A ? 34 CB 1
   ATOM 602 OG1 A THR A 46 ? -2.08634 16.88401 3.50801 0.330 8.89453 O ? A ? 34 OG1 1
   ATOM 603 CG2 A THR A 46 ? -0.38568 15.32144 4.21909 0.330 6.60892 C ? A ? 34 CG2 1
   ATOM 604 N B THR A 46 ? -0.61528 17.42386 5.92699 0.670 8.65429 N ? A ? 34 N 1
   ATOM 605 CA B THR A 46 ? -0.26806 17.55342 4.51068 0.670 7.31337 C ? A ? 34 CA 1
   ATOM 606 C B THR A 46 ? -0.97773 18.78431 3.94228 0.670 8.71146 C ? A ? 34 C 1
   ATOM 607 O B THR A 46 ? -1.99291 19.23017 4.50270 0.670 13.40135 O ? A ? 34 O 1
   ATOM 608 CB B THR A 46 ? -0.67084 16.28845 3.73862 0.670 9.23194 C ? A ? 34 CB 1
   ATOM 609 OG1 B THR A 46 ? -2.05754 15.99702 3.98972 0.670 8.15075 O ? A ? 34 OG1 1
   ATOM 610 CG2 B THR A 46 ? 0.22861 15.08354 4.16742 0.670 7.87627 C ? A ? 34 CG2 1
   ATOM 611 N A PRO A 47 ? -0.31564 19.61037 2.89691 0.211 9.62608 N ? A ? 35 N 1
   ATOM 612 CA A PRO A 47 ? -1.04765 20.70888 2.26287 0.211 10.71170 C ? A ? 35 CA 1
   ATOM 613 C A PRO A 47 ? -2.38146 20.26422 1.67812 0.211 10.16043 C ? A ? 35 C 1
   ATOM 614 O A PRO A 47 ? -2.56824 19.10697 1.26516 0.211 7.94528 O ? A ? 35 O 1
   ATOM 615 CB A PRO A 47 ? -0.08890 21.19682 1.17263 0.211 12.32497 C ? A ? 35 CB 1
   ATOM 616 CG A PRO A 47 ? 0.70268 19.96853 0.83271 0.211 9.30270 C ? A ? 35 CG 1
   ATOM 617 CD A PRO A 47 ? 0.90495 19.25260 2.14854 0.211 8.81888 C ? A ? 35 CD 1
   ATOM 618 N B PRO A 47 ? -0.46443 19.38145 2.85201 0.597 10.22790 N ? A ? 35 N 1
   ATOM 619 CA B PRO A 47 ? -1.09537 20.61711 2.34707 0.597 10.80884 C ? A ? 35 CA 1
   ATOM 620 C B PRO A 47 ? -2.53979 20.38581 1.94674 0.597 12.71228 C ? A ? 35 C 1
   ATOM 621 O B PRO A 47 ? -2.90540 19.29760 1.50470 0.597 11.48494 O ? A ? 35 O 1
   ATOM 622 CB B PRO A 47 ? -0.19255 21.09507 1.19950 0.597 13.20383 C ? A ? 35 CB 1
   ATOM 623 CG B PRO A 47 ? 0.77145 19.96677 0.95708 0.597 9.69068 C ? A ? 35 CG 1
   ATOM 624 CD B PRO A 47 ? 0.78022 19.01931 2.13838 0.597 8.43823 C ? A ? 35 CD 1
   ATOM 625 N C PRO A 47 ? -0.45748 19.46914 3.05160 0.192 9.57226 N ? A ? 35 N 1
   ATOM 626 CA C PRO A 47 ? -1.12505 20.68793 2.58588 0.192 11.81933 C ? A ? 35 CA 1
   ATOM 627 C C PRO A 47 ? -2.57990 20.39483 2.27604 0.192 11.31735 C ? A ? 35 C 1
   ATOM 628 O C PRO A 47 ? -3.00050 19.24148 2.26818 0.192 5.93876 O ? A ? 35 O 1
   ATOM 629 CB C PRO A 47 ? -0.35627 21.05143 1.30742 0.192 13.02160 C ? A ? 35 CB 1
   ATOM 630 CG C PRO A 47 ? 0.94176 20.25242 1.38764 0.192 5.25120 C ? A ? 35 CG 1
   ATOM 631 CD C PRO A 47 ? 0.55841 18.98873 2.09817 0.192 9.00813 C ? A ? 35 CD 1
   ATOM 632 N A MET A 48 ? -3.29943 21.24749 1.61350 0.348 5.25040 N ? A ? 36 N 1
   ATOM 633 CA A MET A 48 ? -4.69551 21.07094 1.23170 0.348 10.10363 C ? A ? 36 CA 1
   ATOM 634 C A MET A 48 ? -4.95295 21.79179 -0.09466 0.348 6.85480 C ? A ? 36 C 1
   ATOM 635 O A MET A 48 ? -4.22933 22.72358 -0.45248 0.348 8.58506 O ? A ? 36 O 1
   ATOM 636 CB A MET A 48 ? -5.65455 21.60762 2.32968 0.348 7.12072 C ? A ? 36 CB 1
   ATOM 637 CG A MET A 48 ? -5.39243 21.10613 3.76456 0.348 8.83146 C ? A ? 36 CG 1
   ATOM 638 SD A MET A 48 ? -6.37589 21.86719 5.13496 0.348 10.53525 S ? A ? 36 SD 1
   ATOM 639 CE A MET A 48 ? -7.99391 21.29041 4.58756 0.348 12.16699 C ? A ? 36 CE 1
   ATOM 640 N B MET A 48 ? -3.37984 21.41670 2.20724 0.549 13.30304 N ? A ? 36 N 1
   ATOM 641 CA B MET A 48 ? -4.81490 21.40964 1.92995 0.549 13.20878 C ? A ? 36 CA 1
   ATOM 642 C B MET A 48 ? -5.02725 22.03449 0.56213 0.549 11.63053 C ? A ? 36 C 1
   ATOM 643 O B MET A 48 ? -4.21432 22.83807 0.11968 0.549 9.12852 O ? A ? 36 O 1
   ATOM 644 CB B MET A 48 ? -5.58441 22.26981 2.94828 0.549 12.09107 C ? A ? 36 CB 1
   ATOM 645 CG B MET A 48 ? -5.45261 21.91880 4.43775 0.549 21.24008 C ? A ? 36 CG 1
   ATOM 646 SD B MET A 48 ? -6.28720 20.42778 5.01831 0.549 17.86169 S ? A ? 36 SD 1
   ATOM 647 CE B MET A 48 ? -8.01802 20.66523 4.67596 0.549 10.69569 C ? A ? 36 CE 1
   ATOM 648 N C MET A 48 ? -3.35997 21.43556 2.03238 0.103 11.73456 N ? A ? 36 N 1
   ATOM 649 CA C MET A 48 ? -4.76195 21.26613 1.70301 0.103 11.56405 C ? A ? 36 CA 1
   ATOM 650 C C MET A 48 ? -5.04401 21.94667 0.37715 0.103 11.79559 C ? A ? 36 C 1
   ATOM 651 O C MET A 48 ? -4.20295 22.66863 -0.16451 0.103 9.46790 O ? A ? 36 O 1
   ATOM 652 CB C MET A 48 ? -5.65521 21.83874 2.80435 0.103 11.76653 C ? A ? 36 CB 1
   ATOM 653 CG C MET A 48 ? -5.47037 21.14221 4.12864 0.103 10.84531 C ? A ? 36 CG 1
   ATOM 654 SD C MET A 48 ? -6.39777 19.59724 4.16872 0.103 4.51603 S ? A ? 36 SD 1
   ATOM 655 CE C MET A 48 ? -8.05922 20.29064 3.96974 0.103 14.00272 C ? A ? 36 CE 1
   ATOM 656 N A ILE A 49 ? -5.97576 21.34050 -0.82466 0.234 7.09515 N ? A ? 37 N 1
   ATOM 657 CA A ILE A 49 ? -6.42819 22.07597 -2.00971 0.234 10.10657 C ? A ? 37 CA 1
   ATOM 658 C A ILE A 49 ? -6.64869 23.54236 -1.67611 0.234 12.19975 C ? A ? 37 C 1
   ATOM 659 O A ILE A 49 ? -7.51664 23.89148 -0.86785 0.234 7.76347 O ? A ? 37 O 1
   ATOM 660 CB A ILE A 49 ? -7.69312 21.45154 -2.59150 0.234 13.51818 C ? A ? 37 CB 1
   ATOM 661 CG1 A ILE A 49 ? -7.37280 20.03874 -3.01519 0.234 7.94658 C ? A ? 37 CG1 1
   ATOM 662 CG2 A ILE A 49 ? -8.26185 22.32079 -3.72993 0.234 11.18004 C ? A ? 37 CG2 1
   ATOM 663 CD1 A ILE A 49 ? -8.16180 19.64629 -4.12376 0.234 17.60336 C ? A ? 37 CD1 1
   ATOM 664 N B ILE A 49 ? -6.08381 21.62578 -0.15322 0.501 13.22342 N ? A ? 37 N 1
   ATOM 665 CA B ILE A 49 ? -6.25357 22.17673 -1.49471 0.501 13.37057 C ? A ? 37 CA 1
   ATOM 666 C B ILE A 49 ? -6.42972 23.67484 -1.36233 0.501 10.61952 C ? A ? 37 C 1
   ATOM 667 O B ILE A 49 ? -7.02688 24.17910 -0.39158 0.501 13.71451 O ? A ? 37 O 1
   ATOM 668 CB B ILE A 49 ? -7.31791 21.50447 -2.39090 0.501 16.96533 C ? A ? 37 CB 1
   ATOM 669 CG1 B ILE A 49 ? -7.47325 22.25594 -3.71680 0.501 15.09970 C ? A ? 37 CG1 1
   ATOM 670 CG2 B ILE A 49 ? -8.65023 21.52505 -1.75698 0.501 24.71195 C ? A ? 37 CG2 1
   ATOM 671 CD1 B ILE A 49 ? -8.78626 22.00470 -4.39367 0.501 22.86542 C ? A ? 37 CD1 1
   ATOM 672 N C ILE A 49 ? -6.23643 21.68879 -0.16073 0.265 12.88499 N ? A ? 37 N 1
   ATOM 673 CA C ILE A 49 ? -6.57630 22.25643 -1.45326 0.265 13.13238 C ? A ? 37 CA 1
   ATOM 674 C C ILE A 49 ? -6.49324 23.76459 -1.33855 0.265 10.66630 C ? A ? 37 C 1
   ATOM 675 O C ILE A 49 ? -6.93966 24.35663 -0.33837 0.265 13.37772 O ? A ? 37 O 1
   ATOM 676 CB C ILE A 49 ? -7.95266 21.77481 -1.93960 0.265 18.20877 C ? A ? 37 CB 1
   ATOM 677 CG1 C ILE A 49 ? -7.91285 20.29362 -2.36485 0.265 17.59070 C ? A ? 37 CG1 1
   ATOM 678 CG2 C ILE A 49 ? -8.45707 22.64681 -3.08857 0.265 14.74758 C ? A ? 37 CG2 1
   ATOM 679 CD1 C ILE A 49 ? -6.94322 19.92230 -3.48171 0.265 10.42479 C ? A ? 37 CD1 1
   ATOM 680 N . GLY A 50 ? -5.86687 24.39260 -2.34020 1.000 10.31118 N ? A ? 38 N 1
   ATOM 681 CA . GLY A 50 ? -5.82280 25.80217 -2.29822 1.000 9.79461 C ? A ? 38 CA 1
   ATOM 682 C . GLY A 50 ? -4.58842 26.35998 -1.61349 1.000 11.29879 C ? A ? 38 C 1
   ATOM 683 O . GLY A 50 ? -4.26084 27.54489 -1.87100 1.000 13.30478 O ? A ? 38 O 1
   ATOM 684 N A ASP A 51 ? -3.87817 25.58803 -0.79207 0.115 9.45255 N ? A ? 39 N 1
   ATOM 685 CA A ASP A 51 ? -2.70784 26.12108 -0.10130 0.115 9.36215 C ? A ? 39 CA 1
   ATOM 686 C A ASP A 51 ? -1.59540 26.45732 -1.08686 0.115 8.42202 C ? A ? 39 C 1
   ATOM 687 O A ASP A 51 ? -1.48379 25.85956 -2.15864 0.115 9.91942 O ? A ? 39 O 1
   ATOM 688 CB A ASP A 51 ? -2.16233 25.08768 0.88197 0.115 9.28077 C ? A ? 39 CB 1
   ATOM 689 CG A ASP A 51 ? -3.12320 24.78165 2.00194 0.115 11.88974 C ? A ? 39 CG 1
   ATOM 690 OD1 A ASP A 51 ? -4.12291 25.50993 2.15090 0.115 12.79982 O ? A ? 39 OD1 1
   ATOM 691 OD2 A ASP A 51 ? -2.87576 23.80177 2.73271 0.115 10.76052 O ? A ? 39 OD2 1
   ATOM 692 N B ASP A 51 ? -3.89740 25.60377 -0.75518 0.885 9.34792 N ? A ? 39 N 1
   ATOM 693 CA B ASP A 51 ? -2.72922 26.15779 -0.07004 0.885 9.30476 C ? A ? 39 CA 1
   ATOM 694 C B ASP A 51 ? -1.65639 26.48147 -1.07712 0.885 8.30995 C ? A ? 39 C 1
   ATOM 695 O B ASP A 51 ? -1.49792 25.78843 -2.08708 0.885 10.03479 O ? A ? 39 O 1
   ATOM 696 CB B ASP A 51 ? -2.11379 25.10997 0.89645 0.885 9.05969 C ? A ? 39 CB 1
   ATOM 697 CG B ASP A 51 ? -2.94050 24.85803 2.12701 0.885 12.62464 C ? A ? 39 CG 1
   ATOM 698 OD1 B ASP A 51 ? -3.94847 25.59161 2.32743 0.885 14.39668 O ? A ? 39 OD1 1
   ATOM 699 OD2 B ASP A 51 ? -2.53604 23.95080 2.90480 0.885 11.67910 O ? A ? 39 OD2 1
   ATOM 700 N A LYS A 52 ? -0.74626 27.40871 -0.70041 0.115 9.16150 N ? A ? 40 N 1
   ATOM 701 CA A LYS A 52 ? 0.43826 27.75090 -1.47940 0.115 8.05070 C ? A ? 40 CA 1
   ATOM 702 C A LYS A 52 ? 1.65053 27.02111 -0.89879 0.115 7.93343 C ? A ? 40 C 1
   ATOM 703 O A LYS A 52 ? 2.02675 27.25105 0.25546 0.115 11.44920 O ? A ? 40 O 1
   ATOM 704 CB A LYS A 52 ? 0.65345 29.26461 -1.50992 0.115 10.43934 C ? A ? 40 CB 1
   ATOM 705 CG A LYS A 52 ? -0.38665 30.04289 -2.33230 0.115 10.65987 C ? A ? 40 CG 1
   ATOM 706 CD A LYS A 52 ? -0.09664 31.54500 -2.35809 0.115 15.59008 C ? A ? 40 CD 1
   ATOM 707 CE A LYS A 52 ? 1.31185 31.83413 -2.85480 0.115 17.25991 C ? A ? 40 CE 1
   ATOM 708 NZ A LYS A 52 ? 1.60923 33.30092 -2.90218 0.115 16.05124 N ? A ? 40 NZ 1
   ATOM 709 N B LYS A 52 ? -0.90106 27.54073 -0.76795 0.885 8.40855 N ? A ? 40 N 1
   ATOM 710 CA B LYS A 52 ? 0.34581 27.75236 -1.47358 0.885 7.85449 C ? A ? 40 CA 1
   ATOM 711 C B LYS A 52 ? 1.38836 26.78865 -0.91680 0.885 7.64767 C ? A ? 40 C 1
   ATOM 712 O B LYS A 52 ? 1.58459 26.66902 0.29636 0.885 8.44947 O ? A ? 40 O 1
   ATOM 713 CB B LYS A 52 ? 0.80687 29.19355 -1.33680 0.885 10.27274 C ? A ? 40 CB 1
   ATOM 714 CG B LYS A 52 ? -0.04543 30.15492 -2.19032 0.885 11.84602 C ? A ? 40 CG 1
   ATOM 715 CD B LYS A 52 ? 0.38294 31.57481 -2.01178 0.885 19.40799 C ? A ? 40 CD 1
   ATOM 716 CE B LYS A 52 ? 1.43304 31.90850 -3.00298 0.885 18.12479 C ? A ? 40 CE 1
   ATOM 717 NZ B LYS A 52 ? 1.64279 33.42193 -3.03151 0.885 15.84206 N ? A ? 40 NZ 1
   ATOM 718 N A VAL A 53 ? 2.25607 26.14443 -1.70331 0.115 7.05667 N ? A ? 41 N 1
   ATOM 719 CA A VAL A 53 ? 3.34206 25.27396 -1.26026 0.115 8.75760 C ? A ? 41 CA 1
   ATOM 720 C A VAL A 53 ? 4.64517 25.73378 -1.90577 0.115 6.76451 C ? A ? 41 C 1
   ATOM 721 O A VAL A 53 ? 4.65226 26.40405 -2.94025 0.115 7.52019 O ? A ? 41 O 1
   ATOM 722 CB A VAL A 53 ? 3.07347 23.79038 -1.58476 0.115 8.62717 C ? A ? 41 CB 1
   ATOM 723 CG1 A VAL A 53 ? 1.73628 23.33326 -1.01034 0.115 8.42311 C ? A ? 41 CG1 1
   ATOM 724 CG2 A VAL A 53 ? 3.09094 23.58916 -3.05612 0.115 9.82550 C ? A ? 41 CG2 1
   ATOM 725 N B VAL A 53 ? 2.03805 26.07650 -1.83657 0.885 7.28646 N ? A ? 41 N 1
   ATOM 726 CA B VAL A 53 ? 3.05828 25.09974 -1.50019 0.885 6.77798 C ? A ? 41 CA 1
   ATOM 727 C B VAL A 53 ? 4.36540 25.54877 -2.10524 0.885 5.13579 C ? A ? 41 C 1
   ATOM 728 O B VAL A 53 ? 4.37716 26.11686 -3.20355 0.885 7.75270 O ? A ? 41 O 1
   ATOM 729 CB B VAL A 53 ? 2.64151 23.68387 -1.95688 0.885 7.76977 C ? A ? 41 CB 1
   ATOM 730 CG1 B VAL A 53 ? 1.27868 23.36778 -1.40842 0.885 11.06753 C ? A ? 41 CG1 1
   ATOM 731 CG2 B VAL A 53 ? 2.60825 23.47051 -3.42001 0.885 10.68159 C ? A ? 41 CG2 1
   ATOM 732 N A TYR A 54 ? 5.76389 25.36513 -1.27760 0.115 6.78593 N ? A ? 42 N 1
   ATOM 733 CA A TYR A 54 ? 7.09522 25.71445 -1.75758 0.115 6.75585 C ? A ? 42 CA 1
   ATOM 734 C A TYR A 54 ? 7.90632 24.43828 -1.84849 0.115 6.80192 C ? A ? 42 C 1
   ATOM 735 O A TYR A 54 ? 7.92962 23.64668 -0.89843 0.115 7.14986 O ? A ? 42 O 1
   ATOM 736 CB A TYR A 54 ? 7.81560 26.67847 -0.81625 0.115 6.55968 C ? A ? 42 CB 1
   ATOM 737 CG A TYR A 54 ? 7.01694 27.89433 -0.45661 0.115 9.36315 C ? A ? 42 CG 1
   ATOM 738 CD1 A TYR A 54 ? 5.99513 27.82374 0.48277 0.115 7.47454 C ? A ? 42 CD1 1
   ATOM 739 CD2 A TYR A 54 ? 7.29070 29.11829 -1.04560 0.115 9.05364 C ? A ? 42 CD2 1
   ATOM 740 CE1 A TYR A 54 ? 5.26147 28.94966 0.81603 0.115 8.34532 C ? A ? 42 CE1 1
   ATOM 741 CE2 A TYR A 54 ? 6.57116 30.23933 -0.71426 0.115 10.63226 C ? A ? 42 CE2 1
   ATOM 742 CZ A TYR A 54 ? 5.55647 30.15036 0.20630 0.115 5.99839 C ? A ? 42 CZ 1
   ATOM 743 OH A TYR A 54 ? 4.85320 31.29899 0.52276 0.115 7.76904 O ? A ? 42 OH 1
   ATOM 744 N B TYR A 54 ? 5.47228 25.26305 -1.43059 0.885 6.63203 N ? A ? 42 N 1
   ATOM 745 CA B TYR A 54 ? 6.80984 25.70946 -1.75824 0.885 5.93336 C ? A ? 42 CA 1
   ATOM 746 C B TYR A 54 ? 7.67064 24.45260 -1.79334 0.885 7.03601 C ? A ? 42 C 1
   ATOM 747 O B TYR A 54 ? 7.74951 23.75992 -0.79276 0.885 6.82727 O ? A ? 42 O 1
   ATOM 748 CB B TYR A 54 ? 7.34012 26.65898 -0.67284 0.885 7.63810 C ? A ? 42 CB 1
   ATOM 749 CG B TYR A 54 ? 6.48187 27.90622 -0.46151 0.885 9.05280 C ? A ? 42 CG 1
   ATOM 750 CD1 B TYR A 54 ? 5.26832 27.82976 0.16212 0.885 10.03598 C ? A ? 42 CD1 1
   ATOM 751 CD2 B TYR A 54 ? 6.87025 29.10661 -1.00361 0.885 9.55976 C ? A ? 42 CD2 1
   ATOM 752 CE1 B TYR A 54 ? 4.45777 28.98080 0.30731 0.885 10.58086 C ? A ? 42 CE1 1
   ATOM 753 CE2 B TYR A 54 ? 6.05539 30.23533 -0.86899 0.885 10.27033 C ? A ? 42 CE2 1
   ATOM 754 CZ B TYR A 54 ? 4.88504 30.13316 -0.25270 0.885 10.50378 C ? A ? 42 CZ 1
   ATOM 755 OH B TYR A 54 ? 4.07892 31.25761 -0.11349 0.885 16.53374 O ? A ? 42 OH 1
   ATOM 756 N A VAL A 55 ? 8.59922 24.27131 -2.97264 0.115 6.55906 N ? A ? 43 N 1
   ATOM 757 CA A VAL A 55 ? 9.18647 22.99616 -3.34463 0.115 4.94199 C ? A ? 43 CA 1
   ATOM 758 C A VAL A 55 ? 10.52840 23.22760 -4.02877 0.115 5.84637 C ? A ? 43 C 1
   ATOM 759 O A VAL A 55 ? 10.72852 24.22835 -4.72984 0.115 5.85208 O ? A ? 43 O 1
   ATOM 760 CB A VAL A 55 ? 8.18258 22.16014 -4.17660 0.115 4.87965 C ? A ? 43 CB 1
   ATOM 761 CG1 A VAL A 55 ? 8.87410 21.07860 -4.96708 0.115 5.33928 C ? A ? 43 CG1 1
   ATOM 762 CG2 A VAL A 55 ? 7.14885 21.53218 -3.25916 0.115 7.23084 C ? A ? 43 CG2 1
   ATOM 763 N B VAL A 55 ? 8.32189 24.17211 -2.93673 0.885 6.63790 N ? A ? 43 N 1
   ATOM 764 CA B VAL A 55 ? 9.09067 22.93888 -3.10983 0.885 6.02391 C ? A ? 43 CA 1
   ATOM 765 C B VAL A 55 ? 10.44112 23.24680 -3.73692 0.885 5.35914 C ? A ? 43 C 1
   ATOM 766 O B VAL A 55 ? 10.61905 24.28380 -4.41070 0.885 6.84205 O ? A ? 43 O 1
   ATOM 767 CB B VAL A 55 ? 8.39016 21.84586 -3.92729 0.885 5.41501 C ? A ? 43 CB 1
   ATOM 768 CG1 B VAL A 55 ? 7.01580 21.62370 -3.42616 0.885 7.87165 C ? A ? 43 CG1 1
   ATOM 769 CG2 B VAL A 55 ? 8.30829 22.24225 -5.41309 0.885 6.38856 C ? A ? 43 CG2 1
   ATOM 770 N A HIS A 56 ? 11.46286 22.31638 -3.75597 0.115 6.85506 N ? A ? 44 N 1
   ATOM 771 CA A HIS A 56 ? 12.63180 22.07722 -4.58897 0.115 6.68851 C ? A ? 44 CA 1
   ATOM 772 C A HIS A 56 ? 12.36329 20.77989 -5.32256 0.115 6.42071 C ? A ? 44 C 1
   ATOM 773 O A HIS A 56 ? 11.99464 19.79061 -4.68947 0.115 2.74100 O ? A ? 44 O 1
   ATOM 774 CB A HIS A 56 ? 13.85860 21.83987 -3.71928 0.115 8.88480 C ? A ? 44 CB 1
   ATOM 775 CG A HIS A 56 ? 14.31861 23.04787 -2.99296 0.115 10.35874 C ? A ? 44 CG 1
   ATOM 776 ND1 A HIS A 56 ? 14.63066 23.03349 -1.65177 0.115 10.58574 N ? A ? 44 ND1 1
   ATOM 777 CD2 A HIS A 56 ? 14.52630 24.31161 -3.42084 0.115 10.79395 C ? A ? 44 CD2 1
   ATOM 778 CE1 A HIS A 56 ? 15.00395 24.24506 -1.28362 0.115 13.21750 C ? A ? 44 CE1 1
   ATOM 779 NE2 A HIS A 56 ? 14.95987 25.03671 -2.33891 0.115 11.11779 N ? A ? 44 NE2 1
   ATOM 780 N B HIS A 56 ? 11.34549 22.26364 -3.63834 0.885 6.65640 N ? A ? 44 N 1
   ATOM 781 CA B HIS A 56 ? 12.41903 22.11572 -4.60272 0.885 6.64825 C ? A ? 44 CA 1
   ATOM 782 C B HIS A 56 ? 12.10826 20.86365 -5.41185 0.885 6.35883 C ? A ? 44 C 1
   ATOM 783 O B HIS A 56 ? 11.36668 19.96491 -4.95399 0.885 6.48137 O ? A ? 44 O 1
   ATOM 784 CB B HIS A 56 ? 13.80199 21.93714 -3.96774 0.885 7.76707 C ? A ? 44 CB 1
   ATOM 785 CG B HIS A 56 ? 14.30048 23.12108 -3.23786 0.885 10.36633 C ? A ? 44 CG 1
   ATOM 786 ND1 B HIS A 56 ? 14.90697 23.09962 -1.98785 0.885 14.48138 N ? A ? 44 ND1 1
   ATOM 787 CD2 B HIS A 56 ? 14.33792 24.39425 -3.65927 0.885 9.85132 C ? A ? 44 CD2 1
   ATOM 788 CE1 B HIS A 56 ? 15.27018 24.33952 -1.67905 0.885 12.27562 C ? A ? 44 CE1 1
   ATOM 789 NE2 B HIS A 56 ? 14.93373 25.14319 -2.66314 0.885 13.70898 N ? A ? 44 NE2 1
   ATOM 790 N A TYR A 57 ? 12.55742 20.76164 -6.63876 0.115 5.85696 N ? A ? 45 N 1
   ATOM 791 CA A TYR A 57 ? 12.22445 19.57075 -7.40216 0.115 6.36399 C ? A ? 45 CA 1
   ATOM 792 C A TYR A 57 ? 13.26266 19.32360 -8.47959 0.115 6.57525 C ? A ? 45 C 1
   ATOM 793 O A TYR A 57 ? 13.84062 20.25796 -9.03201 0.115 3.67179 O ? A ? 45 O 1
   ATOM 794 CB A TYR A 57 ? 10.85557 19.70259 -8.07591 0.115 5.71386 C ? A ? 45 CB 1
   ATOM 795 CG A TYR A 57 ? 10.84073 20.68838 -9.22163 0.115 5.63640 C ? A ? 45 CG 1
   ATOM 796 CD1 A TYR A 57 ? 10.68535 22.04965 -8.97916 0.115 5.62590 C ? A ? 45 CD1 1
   ATOM 797 CD2 A TYR A 57 ? 10.98569 20.26155 -10.53914 0.115 7.22036 C ? A ? 45 CD2 1
   ATOM 798 CE1 A TYR A 57 ? 10.67080 22.95829 -10.00822 0.115 7.08262 C ? A ? 45 CE1 1
   ATOM 799 CE2 A TYR A 57 ? 10.97374 21.16767 -11.58307 0.115 4.96953 C ? A ? 45 CE2 1
   ATOM 800 CZ A TYR A 57 ? 10.81126 22.52097 -11.31030 0.115 6.18025 C ? A ? 45 CZ 1
   ATOM 801 OH A TYR A 57 ? 10.79204 23.44895 -12.32121 0.115 4.70509 O ? A ? 45 OH 1
   ATOM 802 N B TYR A 57 ? 12.66961 20.74296 -6.62764 0.885 5.83531 N ? A ? 45 N 1
   ATOM 803 CA B TYR A 57 ? 12.42730 19.56318 -7.43022 0.885 6.39750 C ? A ? 45 CA 1
   ATOM 804 C B TYR A 57 ? 13.56915 19.29188 -8.38385 0.885 6.19589 C ? A ? 45 C 1
   ATOM 805 O B TYR A 57 ? 14.32115 20.19190 -8.81051 0.885 5.96608 O ? A ? 45 O 1
   ATOM 806 CB B TYR A 57 ? 11.08789 19.67910 -8.13318 0.885 5.52335 C ? A ? 45 CB 1
   ATOM 807 CG B TYR A 57 ? 11.10279 20.60499 -9.32088 0.885 6.10512 C ? A ? 45 CG 1
   ATOM 808 CD1 B TYR A 57 ? 10.93643 21.98691 -9.12070 0.885 5.89486 C ? A ? 45 CD1 1
   ATOM 809 CD2 B TYR A 57 ? 11.30170 20.11129 -10.65895 0.885 6.78978 C ? A ? 45 CD2 1
   ATOM 810 CE1 B TYR A 57 ? 10.95332 22.84440 -10.22781 0.885 7.56856 C ? A ? 45 CE1 1
   ATOM 811 CE2 B TYR A 57 ? 11.29602 20.99886 -11.74310 0.885 6.10880 C ? A ? 45 CE2 1
   ATOM 812 CZ B TYR A 57 ? 11.11822 22.38165 -11.53691 0.885 5.63601 C ? A ? 45 CZ 1
   ATOM 813 OH B TYR A 57 ? 11.14659 23.29337 -12.56308 0.885 7.21265 O ? A ? 45 OH 1
   ATOM 814 N A LYS A 58 ? 13.46440 18.05327 -8.80434 0.115 6.13245 N ? A ? 46 N 1
   ATOM 815 CA A LYS A 58 ? 14.16444 17.65844 -10.01707 0.115 7.39957 C ? A ? 46 CA 1
   ATOM 816 C A LYS A 58 ? 13.19968 16.84481 -10.86679 0.115 5.75411 C ? A ? 46 C 1
   ATOM 817 O A LYS A 58 ? 12.32089 16.14728 -10.33878 0.115 4.19069 O ? A ? 46 O 1
   ATOM 818 CB A LYS A 58 ? 15.41050 16.80407 -9.71546 0.115 11.15071 C ? A ? 46 CB 1
   ATOM 819 CG A LYS A 58 ? 16.15230 17.11166 -8.41109 0.115 14.73864 C ? A ? 46 CG 1
   ATOM 820 CD A LYS A 58 ? 17.36630 16.18460 -8.24339 0.115 15.65044 C ? A ? 46 CD 1
   ATOM 821 CE A LYS A 58 ? 18.06951 16.39541 -6.90729 0.115 22.35759 C ? A ? 46 CE 1
   ATOM 822 NZ A LYS A 58 ? 19.33452 15.62096 -6.75301 0.115 20.72020 N ? A ? 46 NZ 1
   ATOM 823 N B LYS A 58 ? 13.54792 18.07091 -8.89005 0.885 6.05076 N ? A ? 46 N 1
   ATOM 824 CA B LYS A 58 ? 14.35332 17.61304 -10.04004 0.885 7.37878 C ? A ? 46 CA 1
   ATOM 825 C B LYS A 58 ? 13.42523 16.73085 -10.86782 0.885 5.98137 C ? A ? 46 C 1
   ATOM 826 O B LYS A 58 ? 12.78004 15.84957 -10.28350 0.885 6.27859 O ? A ? 46 O 1
   ATOM 827 CB B LYS A 58 ? 15.50359 16.73477 -9.50051 0.885 11.36400 C ? A ? 46 CB 1
   ATOM 828 CG B LYS A 58 ? 16.36252 17.38261 -8.41411 0.885 16.76773 C ? A ? 46 CG 1
   ATOM 829 CD B LYS A 58 ? 17.69814 16.67997 -8.25861 0.885 20.04548 C ? A ? 46 CD 1
   ATOM 830 CE B LYS A 58 ? 17.60150 15.49796 -7.37920 0.885 23.73362 C ? A ? 46 CE 1
   ATOM 831 NZ B LYS A 58 ? 18.99938 15.17973 -6.93522 0.885 33.85144 N ? A ? 46 NZ 1
   ATOM 832 N . GLY A 59 ? 13.35127 16.93752 -12.18391 1.000 5.83914 N ? A ? 47 N 1
   ATOM 833 CA . GLY A 59 ? 12.51334 16.12843 -13.04262 1.000 6.35724 C ? A ? 47 CA 1
   ATOM 834 C . GLY A 59 ? 13.22537 15.68004 -14.28545 1.000 6.61524 C ? A ? 47 C 1
   ATOM 835 O . GLY A 59 ? 14.23002 16.27859 -14.70124 1.000 7.26892 O ? A ? 47 O 1
   ATOM 836 N A LYS A 60 ? 12.65951 14.62914 -14.89183 0.471 5.67779 N ? A ? 48 N 1
   ATOM 837 CA A LYS A 60 ? 13.17196 13.99276 -16.09811 0.471 6.30752 C ? A ? 48 CA 1
   ATOM 838 C A LYS A 60 ? 12.13081 13.06719 -16.72979 0.471 6.59532 C ? A ? 48 C 1
   ATOM 839 O A LYS A 60 ? 11.14346 12.63296 -16.10159 0.471 4.98552 O ? A ? 48 O 1
   ATOM 840 CB A LYS A 60 ? 14.45370 13.19491 -15.80924 0.471 7.48977 C ? A ? 48 CB 1
   ATOM 841 CG A LYS A 60 ? 14.24811 11.94691 -14.94955 0.471 8.16317 C ? A ? 48 CG 1
   ATOM 842 CD A LYS A 60 ? 15.59843 11.33502 -14.60025 0.471 8.32593 C ? A ? 48 CD 1
   ATOM 843 CE A LYS A 60 ? 15.51219 10.42053 -13.39638 0.471 7.81841 C ? A ? 48 CE 1
   ATOM 844 NZ A LYS A 60 ? 16.72244 9.58209 -13.19327 0.471 9.62597 N ? A ? 48 NZ 1
   ATOM 845 N B LYS A 60 ? 12.75540 14.58393 -14.84825 0.529 5.69083 N ? A ? 48 N 1
   ATOM 846 CA B LYS A 60 ? 13.33112 14.09913 -16.08724 0.529 6.18426 C ? A ? 48 CA 1
   ATOM 847 C B LYS A 60 ? 12.31436 13.20234 -16.76214 0.529 6.02812 C ? A ? 48 C 1
   ATOM 848 O B LYS A 60 ? 11.42033 12.63803 -16.11202 0.529 7.83996 O ? A ? 48 O 1
   ATOM 849 CB B LYS A 60 ? 14.62877 13.31184 -15.84913 0.529 8.05539 C ? A ? 48 CB 1
   ATOM 850 CG B LYS A 60 ? 14.56561 12.23385 -14.78717 0.529 8.22698 C ? A ? 48 CG 1
   ATOM 851 CD B LYS A 60 ? 15.91939 11.52007 -14.73660 0.529 10.46435 C ? A ? 48 CD 1
   ATOM 852 CE B LYS A 60 ? 15.88614 10.25285 -13.86993 0.529 10.25559 C ? A ? 48 CE 1
   ATOM 853 NZ B LYS A 60 ? 17.19113 9.52086 -13.94905 0.529 14.39416 N ? A ? 48 NZ 1
   ATOM 854 N A LEU A 61 ? 12.38954 12.73769 -18.00765 0.471 6.11902 N ? A ? 49 N 1
   ATOM 855 CA A LEU A 61 ? 11.76166 11.55191 -18.58029 0.471 7.42929 C ? A ? 49 CA 1
   ATOM 856 C A LEU A 61 ? 12.29255 10.34583 -17.84265 0.471 8.07038 C ? A ? 49 C 1
   ATOM 857 O A LEU A 61 ? 13.45387 10.30431 -17.47289 0.471 7.94884 O ? A ? 49 O 1
   ATOM 858 CB A LEU A 61 ? 12.06780 11.38369 -20.10271 0.471 8.39593 C ? A ? 49 CB 1
   ATOM 859 CG A LEU A 61 ? 11.88157 12.61324 -21.04490 0.471 9.63210 C ? A ? 49 CG 1
   ATOM 860 CD1 A LEU A 61 ? 12.13257 12.33689 -22.50206 0.471 10.49542 C ? A ? 49 CD1 1
   ATOM 861 CD2 A LEU A 61 ? 10.52136 13.12859 -20.95431 0.471 6.38852 C ? A ? 49 CD2 1
   ATOM 862 N B LEU A 61 ? 12.47201 13.04378 -18.09956 0.529 7.03985 N ? A ? 49 N 1
   ATOM 863 CA B LEU A 61 ? 11.89762 11.86743 -18.74798 0.529 6.58974 C ? A ? 49 CA 1
   ATOM 864 C B LEU A 61 ? 12.40976 10.62527 -18.02747 0.529 8.24632 C ? A ? 49 C 1
   ATOM 865 O B LEU A 61 ? 13.56953 10.58051 -17.64098 0.529 8.19833 O ? A ? 49 O 1
   ATOM 866 CB B LEU A 61 ? 12.29503 11.82467 -20.22597 0.529 8.07291 C ? A ? 49 CB 1
   ATOM 867 CG B LEU A 61 ? 11.97779 13.13186 -20.95069 0.529 6.25310 C ? A ? 49 CG 1
   ATOM 868 CD1 B LEU A 61 ? 12.40340 13.01199 -22.44228 0.529 10.01008 C ? A ? 49 CD1 1
   ATOM 869 CD2 B LEU A 61 ? 10.56306 13.70579 -20.85094 0.529 11.02325 C ? A ? 49 CD2 1
   ATOM 870 N A SER A 62 ? 11.41948 9.37015 -17.61937 0.471 7.48980 N ? A ? 50 N 1
   ATOM 871 CA A SER A 62 ? 11.82279 8.29558 -16.71508 0.471 10.95799 C ? A ? 50 CA 1
   ATOM 872 C A SER A 62 ? 12.97777 7.46784 -17.24703 0.471 9.93918 C ? A ? 50 C 1
   ATOM 873 O A SER A 62 ? 13.63043 6.77449 -16.46318 0.471 14.50623 O ? A ? 50 O 1
   ATOM 874 CB A SER A 62 ? 10.64588 7.41909 -16.31582 0.471 9.82534 C ? A ? 50 CB 1
   ATOM 875 OG A SER A 62 ? 10.05867 6.83955 -17.45179 0.471 14.64566 O ? A ? 50 OG 1
   ATOM 876 N B SER A 62 ? 11.53947 9.62104 -17.80779 0.529 8.64697 N ? A ? 50 N 1
   ATOM 877 CA B SER A 62 ? 11.87760 8.59868 -16.81246 0.529 7.61091 C ? A ? 50 CA 1
   ATOM 878 C B SER A 62 ? 13.08685 7.72708 -17.18586 0.529 11.10278 C ? A ? 50 C 1
   ATOM 879 O B SER A 62 ? 13.78669 7.20865 -16.29574 0.529 12.94451 O ? A ? 50 O 1
   ATOM 880 CB B SER A 62 ? 10.65626 7.75176 -16.46032 0.529 11.07499 C ? A ? 50 CB 1
   ATOM 881 OG B SER A 62 ? 10.42994 6.78675 -17.45050 0.529 14.61890 O ? A ? 50 OG 1
   ATOM 882 N A ASN A 63 ? 13.28763 7.55806 -18.52901 0.471 10.83354 N ? A ? 51 N 1
   ATOM 883 CA A ASN A 63 ? 14.41844 6.80941 -19.06118 0.471 13.27890 C ? A ? 51 CA 1
   ATOM 884 C A ASN A 63 ? 15.63478 7.68538 -19.36413 0.471 13.90664 C ? A ? 51 C 1
   ATOM 885 O A ASN A 63 ? 16.48597 7.27899 -20.16890 0.471 12.85937 O ? A ? 51 O 1
   ATOM 886 CB A ASN A 63 ? 14.01889 5.94126 -20.26073 0.471 16.48977 C ? A ? 51 CB 1
   ATOM 887 CG A ASN A 63 ? 13.66988 6.75817 -21.48383 0.471 11.17282 C ? A ? 51 CG 1
   ATOM 888 OD1 A ASN A 63 ? 13.42779 7.96997 -21.37962 0.471 19.88073 O ? A ? 51 OD1 1
   ATOM 889 ND2 A ASN A 63 ? 13.65901 6.11950 -22.66836 0.471 17.63761 N ? A ? 51 ND2 1
   ATOM 890 N B ASN A 63 ? 13.35706 7.58335 -18.47011 0.529 10.59737 N ? A ? 51 N 1
   ATOM 891 CA B ASN A 63 ? 14.49523 6.83148 -18.99586 0.529 13.28897 C ? A ? 51 CA 1
   ATOM 892 C B ASN A 63 ? 15.74182 7.68344 -19.19445 0.529 14.92334 C ? A ? 51 C 1
   ATOM 893 O B ASN A 63 ? 16.83412 7.13305 -19.43535 0.529 14.05466 O ? A ? 51 O 1
   ATOM 894 CB B ASN A 63 ? 14.14281 6.20015 -20.35020 0.529 15.28106 C ? A ? 51 CB 1
   ATOM 895 CG B ASN A 63 ? 13.84682 7.23343 -21.42982 0.529 23.90000 C ? A ? 51 CG 1
   ATOM 896 OD1 B ASN A 63 ? 13.29367 8.29789 -21.15972 0.529 18.74451 O ? A ? 51 OD1 1
   ATOM 897 ND2 B ASN A 63 ? 14.19953 6.90882 -22.67538 0.529 30.75075 N ? A ? 51 ND2 1
   ATOM 898 N A SER A 64 ? 15.76304 8.85697 -18.70489 0.471 10.22610 N ? A ? 52 N 1
   ATOM 899 CA A SER A 64 ? 16.87914 9.76609 -18.93918 0.471 12.45693 C ? A ? 52 CA 1
   ATOM 900 C A SER A 64 ? 18.00364 9.49282 -17.95516 0.471 11.31201 C ? A ? 52 C 1
   ATOM 901 O A SER A 64 ? 17.77616 9.15703 -16.78802 0.471 12.34029 O ? A ? 52 O 1
   ATOM 902 CB A SER A 64 ? 16.44202 11.23899 -18.83925 0.471 12.44978 C ? A ? 52 CB 1
   ATOM 903 OG A SER A 64 ? 15.78566 11.63941 -20.03146 0.471 14.54922 O ? A ? 52 OG 1
   ATOM 904 N B SER A 64 ? 15.60426 9.00747 -19.14052 0.529 11.01791 N ? A ? 52 N 1
   ATOM 905 CA B SER A 64 ? 16.75231 9.88791 -19.32343 0.529 11.15950 C ? A ? 52 CA 1
   ATOM 906 C B SER A 64 ? 17.84518 9.55627 -18.31557 0.529 11.47196 C ? A ? 52 C 1
   ATOM 907 O B SER A 64 ? 17.58680 9.13946 -17.17449 0.529 14.30634 O ? A ? 52 O 1
   ATOM 908 CB B SER A 64 ? 16.34408 11.35392 -19.17747 0.529 10.62730 C ? A ? 52 CB 1
   ATOM 909 OG B SER A 64 ? 15.48510 11.72317 -20.24461 0.529 14.99829 O ? A ? 52 OG 1
   ATOM 910 N A LYS A 65 ? 19.23053 9.66781 -18.42660 0.471 16.27857 N ? A ? 53 N 1
   ATOM 911 CA A LYS A 65 ? 20.36517 9.43946 -17.54382 0.471 14.82315 C ? A ? 53 CA 1
   ATOM 912 C A LYS A 65 ? 20.56224 10.57953 -16.53704 0.471 17.18201 C ? A ? 53 C 1
   ATOM 913 O A LYS A 65 ? 21.11315 10.35025 -15.45822 0.471 20.78706 O ? A ? 53 O 1
   ATOM 914 CB A LYS A 65 ? 21.62312 9.19646 -18.38360 0.471 20.86561 C ? A ? 53 CB 1
   ATOM 915 CG A LYS A 65 ? 22.64178 8.29711 -17.71103 0.471 24.55753 C ? A ? 53 CG 1
   ATOM 916 CD A LYS A 65 ? 22.01875 6.99374 -17.23369 0.471 37.13735 C ? A ? 53 CD 1
   ATOM 917 CE A LYS A 65 ? 23.09401 6.01219 -16.79768 0.471 33.82575 C ? A ? 53 CE 1
   ATOM 918 NZ A LYS A 65 ? 24.12795 6.68286 -15.96526 0.471 44.96190 N ? A ? 53 NZ 1
   ATOM 919 N B LYS A 65 ? 19.08833 9.78131 -18.74001 0.529 14.79501 N ? A ? 53 N 1
   ATOM 920 CA B LYS A 65 ? 20.23497 9.53237 -17.86792 0.529 18.08646 C ? A ? 53 CA 1
   ATOM 921 C B LYS A 65 ? 20.34455 10.55013 -16.72878 0.529 17.71427 C ? A ? 53 C 1
   ATOM 922 O B LYS A 65 ? 20.70538 10.18181 -15.60903 0.529 17.28494 O ? A ? 53 O 1
   ATOM 923 CB B LYS A 65 ? 21.51416 9.52973 -18.71182 0.529 18.33463 C ? A ? 53 CB 1
   ATOM 924 CG B LYS A 65 ? 21.54655 8.48334 -19.81350 0.529 24.75910 C ? A ? 53 CG 1
   ATOM 925 CD B LYS A 65 ? 22.85639 8.56003 -20.57532 0.529 33.37365 C ? A ? 53 CD 1
   ATOM 926 CE B LYS A 65 ? 24.04827 8.50747 -19.62194 0.529 36.12862 C ? A ? 53 CE 1
   ATOM 927 NZ B LYS A 65 ? 24.08863 7.25316 -18.81893 0.529 39.29958 N ? A ? 53 NZ 1
   ATOM 928 N A LYS A 66 ? 20.12433 11.79995 -16.85966 0.471 14.63046 N ? A ? 54 N 1
   ATOM 929 CA A LYS A 66 ? 20.31345 12.95111 -15.99986 0.471 14.20051 C ? A ? 54 CA 1
   ATOM 930 C A LYS A 66 ? 18.98549 13.65757 -15.78791 0.471 12.66020 C ? A ? 54 C 1
   ATOM 931 O A LYS A 66 ? 18.12874 13.67507 -16.66842 0.471 11.98693 O ? A ? 54 O 1
   ATOM 932 CB A LYS A 66 ? 21.29434 13.93889 -16.63654 0.471 15.13986 C ? A ? 54 CB 1
   ATOM 933 CG A LYS A 66 ? 22.73094 13.45699 -16.67264 0.471 21.76032 C ? A ? 54 CG 1
   ATOM 934 CD A LYS A 66 ? 23.64686 14.57131 -17.14991 0.471 24.75291 C ? A ? 54 CD 1
   ATOM 935 CE A LYS A 66 ? 25.09297 14.12426 -17.24486 0.471 32.95516 C ? A ? 54 CE 1
   ATOM 936 NZ A LYS A 66 ? 25.91577 15.13419 -17.96516 0.471 27.06389 N ? A ? 54 NZ 1
   ATOM 937 N B LYS A 66 ? 20.09574 11.83779 -16.99665 0.529 14.84938 N ? A ? 54 N 1
   ATOM 938 CA B LYS A 66 ? 20.30141 12.88653 -16.00987 0.529 14.13586 C ? A ? 54 CA 1
   ATOM 939 C B LYS A 66 ? 19.01753 13.66838 -15.78953 0.529 12.65188 C ? A ? 54 C 1
   ATOM 940 O B LYS A 66 ? 18.20338 13.81155 -16.69733 0.529 12.22436 O ? A ? 54 O 1
   ATOM 941 CB B LYS A 66 ? 21.39534 13.87224 -16.45880 0.529 14.98817 C ? A ? 54 CB 1
   ATOM 942 CG B LYS A 66 ? 22.77503 13.24597 -16.57895 0.529 22.05409 C ? A ? 54 CG 1
   ATOM 943 CD B LYS A 66 ? 23.80182 14.23396 -17.13624 0.529 24.89329 C ? A ? 54 CD 1
   ATOM 944 CE B LYS A 66 ? 23.87794 15.50846 -16.31770 0.529 27.95742 C ? A ? 54 CE 1
   ATOM 945 NZ B LYS A 66 ? 25.11965 16.27723 -16.61278 0.529 39.32055 N ? A ? 54 NZ 1
   ATOM 946 N A PHE A 67 ? 18.80883 14.23092 -14.59749 0.471 10.71393 N ? A ? 55 N 1
   ATOM 947 CA A PHE A 67 ? 17.69323 15.14338 -14.38260 0.471 10.35764 C ? A ? 55 CA 1
   ATOM 948 C A PHE A 67 ? 17.90581 16.44399 -15.15740 0.471 10.66013 C ? A ? 55 C 1
   ATOM 949 O A PHE A 67 ? 19.01728 16.99410 -15.19085 0.471 9.58782 O ? A ? 55 O 1
   ATOM 950 CB A PHE A 67 ? 17.57444 15.47671 -12.89329 0.471 9.81810 C ? A ? 55 CB 1
   ATOM 951 CG A PHE A 67 ? 16.95711 14.37756 -12.04801 0.471 6.58000 C ? A ? 55 CG 1
   ATOM 952 CD1 A PHE A 67 ? 15.58779 14.16048 -12.05710 0.471 9.04481 C ? A ? 55 CD1 1
   ATOM 953 CD2 A PHE A 67 ? 17.73597 13.63295 -11.15352 0.471 9.92427 C ? A ? 55 CD2 1
   ATOM 954 CE1 A PHE A 67 ? 15.01247 13.19050 -11.27194 0.471 9.33168 C ? A ? 55 CE1 1
   ATOM 955 CE2 A PHE A 67 ? 17.17310 12.64550 -10.34896 0.471 9.44083 C ? A ? 55 CE2 1
   ATOM 956 CZ A PHE A 67 ? 15.79161 12.44235 -10.40613 0.471 11.44636 C ? A ? 55 CZ 1
   ATOM 957 N B PHE A 67 ? 18.83744 14.17318 -14.56480 0.529 10.51555 N ? A ? 55 N 1
   ATOM 958 CA B PHE A 67 ? 17.77669 15.14045 -14.30221 0.529 10.36919 C ? A ? 55 CA 1
   ATOM 959 C B PHE A 67 ? 17.93199 16.36781 -15.20348 0.529 10.59801 C ? A ? 55 C 1
   ATOM 960 O B PHE A 67 ? 19.04303 16.73307 -15.59200 0.529 12.40110 O ? A ? 55 O 1
   ATOM 961 CB B PHE A 67 ? 17.84929 15.56873 -12.83238 0.529 9.82926 C ? A ? 55 CB 1
   ATOM 962 CG B PHE A 67 ? 17.28102 14.55503 -11.85926 0.529 9.65083 C ? A ? 55 CG 1
   ATOM 963 CD1 B PHE A 67 ? 15.94531 14.21958 -11.91258 0.529 7.50488 C ? A ? 55 CD1 1
   ATOM 964 CD2 B PHE A 67 ? 18.05885 13.99272 -10.84159 0.529 11.60448 C ? A ? 55 CD2 1
   ATOM 965 CE1 B PHE A 67 ? 15.40854 13.31200 -11.02613 0.529 8.22474 C ? A ? 55 CE1 1
   ATOM 966 CE2 B PHE A 67 ? 17.50991 13.07596 -9.93116 0.529 11.78633 C ? A ? 55 CE2 1
   ATOM 967 CZ B PHE A 67 ? 16.18698 12.73946 -10.01979 0.529 8.63325 C ? A ? 55 CZ 1
   ATOM 968 N A ASP A 68 ? 16.81996 16.95087 -15.74416 0.471 8.67277 N ? A ? 56 N 1
   ATOM 969 CA A ASP A 68 ? 16.81674 18.30867 -16.29849 0.471 9.43298 C ? A ? 56 CA 1
   ATOM 970 C A ASP A 68 ? 17.29118 19.32148 -15.24044 0.471 10.74437 C ? A ? 56 C 1
   ATOM 971 O A ASP A 68 ? 17.03158 19.17061 -14.04875 0.471 12.94442 O ? A ? 56 O 1
   ATOM 972 CB A ASP A 68 ? 15.38447 18.61803 -16.73795 0.471 7.35544 C ? A ? 56 CB 1
   ATOM 973 CG A ASP A 68 ? 15.27042 19.95227 -17.43917 0.471 10.34521 C ? A ? 56 CG 1
   ATOM 974 OD1 A ASP A 68 ? 15.41971 21.00124 -16.78991 0.471 10.87856 O ? A ? 56 OD1 1
   ATOM 975 OD2 A ASP A 68 ? 15.05679 19.97177 -18.67430 0.471 9.14059 O ? A ? 56 OD2 1
   ATOM 976 N B ASP A 68 ? 16.81505 17.04663 -15.47692 0.529 9.80263 N ? A ? 56 N 1
   ATOM 977 CA B ASP A 68 ? 16.87571 18.34434 -16.15713 0.529 10.47839 C ? A ? 56 CA 1
   ATOM 978 C B ASP A 68 ? 17.51485 19.38264 -15.23714 0.529 10.13406 C ? A ? 56 C 1
   ATOM 979 O B ASP A 68 ? 17.25939 19.43364 -14.03684 0.529 11.94049 O ? A ? 56 O 1
   ATOM 980 CB B ASP A 68 ? 15.47110 18.77858 -16.53026 0.529 9.13628 C ? A ? 56 CB 1
   ATOM 981 CG B ASP A 68 ? 15.46680 20.01632 -17.39951 0.529 9.94158 C ? A ? 56 CG 1
   ATOM 982 OD1 B ASP A 68 ? 15.83516 19.90287 -18.60249 0.529 10.95233 O ? A ? 56 OD1 1
   ATOM 983 OD2 B ASP A 68 ? 15.10023 21.11440 -16.91294 0.529 9.77178 O ? A ? 56 OD2 1
   ATOM 984 N A SER A 69 ? 18.03459 20.34598 -15.67892 0.471 14.43440 N ? A ? 57 N 1
   ATOM 985 CA A SER A 69 ? 18.59392 21.32491 -14.74549 0.471 13.39204 C ? A ? 57 CA 1
   ATOM 986 C A SER A 69 ? 18.29851 22.75857 -15.19865 0.471 13.06846 C ? A ? 57 C 1
   ATOM 987 O A SER A 69 ? 19.04702 23.69581 -14.86217 0.471 12.34780 O ? A ? 57 O 1
   ATOM 988 CB A SER A 69 ? 20.09491 21.10556 -14.55178 0.471 14.54703 C ? A ? 57 CB 1
   ATOM 989 OG A SER A 69 ? 20.77864 21.21950 -15.80268 0.471 18.30187 O ? A ? 57 OG 1
   ATOM 990 N B SER A 69 ? 18.35523 20.21916 -15.82598 0.529 13.50370 N ? A ? 57 N 1
   ATOM 991 CA B SER A 69 ? 19.14556 21.12859 -15.02076 0.529 16.59746 C ? A ? 57 CA 1
   ATOM 992 C B SER A 69 ? 18.89080 22.57125 -15.43860 0.529 15.47675 C ? A ? 57 C 1
   ATOM 993 O B SER A 69 ? 19.74191 23.44209 -15.24504 0.529 17.73193 O ? A ? 57 O 1
   ATOM 994 CB B SER A 69 ? 20.62577 20.78253 -15.13234 0.529 20.04493 C ? A ? 57 CB 1
   ATOM 995 OG B SER A 69 ? 21.02327 20.90608 -16.49015 0.529 25.79641 O ? A ? 57 OG 1
   ATOM 996 N A SER A 70 ? 17.18703 22.95072 -15.91374 0.471 9.88069 N ? A ? 58 N 1
   ATOM 997 CA A SER A 70 ? 16.83405 24.25828 -16.44997 0.471 6.70237 C ? A ? 58 CA 1
   ATOM 998 C A SER A 70 ? 15.90934 25.07657 -15.55296 0.471 9.10310 C ? A ? 58 C 1
   ATOM 999 O A SER A 70 ? 15.11210 25.86612 -16.07878 0.471 10.10407 O ? A ? 58 O 1
   ATOM 1000 CB A SER A 70 ? 16.29510 24.11449 -17.87620 0.471 15.57285 C ? A ? 58 CB 1
   ATOM 1001 OG A SER A 70 ? 15.04049 23.45095 -17.96859 0.471 12.45543 O ? A ? 58 OG 1
   ATOM 1002 N B SER A 70 ? 17.69515 22.84321 -15.94860 0.529 10.56221 N ? A ? 58 N 1
   ATOM 1003 CA B SER A 70 ? 17.37679 24.13371 -16.52581 0.529 12.53860 C ? A ? 58 CA 1
   ATOM 1004 C B SER A 70 ? 16.55252 25.03421 -15.60619 0.529 11.04959 C ? A ? 58 C 1
   ATOM 1005 O B SER A 70 ? 16.06769 26.07862 -16.07472 0.529 11.36067 O ? A ? 58 O 1
   ATOM 1006 CB B SER A 70 ? 16.71569 23.93774 -17.89837 0.529 13.55432 C ? A ? 58 CB 1
   ATOM 1007 OG B SER A 70 ? 15.33607 23.62170 -17.81662 0.529 13.25473 O ? A ? 58 OG 1
   ATOM 1008 N A HIS A 71 ? 16.01587 24.93731 -14.23747 0.471 12.19061 N ? A ? 59 N 1
   ATOM 1009 CA A HIS A 71 ? 15.40311 25.88840 -13.32645 0.471 13.95995 C ? A ? 59 CA 1
   ATOM 1010 C A HIS A 71 ? 16.39441 26.22171 -12.23013 0.471 10.99064 C ? A ? 59 C 1
   ATOM 1011 O A HIS A 71 ? 17.32824 25.46221 -11.96381 0.471 13.99345 O ? A ? 59 O 1
   ATOM 1012 CB A HIS A 71 ? 14.07642 25.38382 -12.75375 0.471 10.25801 C ? A ? 59 CB 1
   ATOM 1013 CG A HIS A 71 ? 14.21964 24.26791 -11.75952 0.471 10.28038 C ? A ? 59 CG 1
   ATOM 1014 ND1 A HIS A 71 ? 14.38487 22.95231 -12.13120 0.471 8.68679 N ? A ? 59 ND1 1
   ATOM 1015 CD2 A HIS A 71 ? 14.14916 24.28147 -10.40997 0.471 8.23058 C ? A ? 59 CD2 1
   ATOM 1016 CE1 A HIS A 71 ? 14.45060 22.20613 -11.04912 0.471 5.66432 C ? A ? 59 CE1 1
   ATOM 1017 NE2 A HIS A 71 ? 14.29167 22.97974 -9.99343 0.471 9.10562 N ? A ? 59 NE2 1
   ATOM 1018 N B HIS A 71 ? 16.37117 24.68416 -14.33457 0.529 7.60748 N ? A ? 59 N 1
   ATOM 1019 CA B HIS A 71 ? 15.82960 25.68388 -13.43163 0.529 9.88202 C ? A ? 59 CA 1
   ATOM 1020 C B HIS A 71 ? 16.79774 25.98613 -12.30742 0.529 13.40575 C ? A ? 59 C 1
   ATOM 1021 O B HIS A 71 ? 17.70392 25.19645 -12.02056 0.529 14.90791 O ? A ? 59 O 1
   ATOM 1022 CB B HIS A 71 ? 14.47252 25.30964 -12.84158 0.529 10.77900 C ? A ? 59 CB 1
   ATOM 1023 CG B HIS A 71 ? 14.53128 24.14995 -11.89391 0.529 8.48057 C ? A ? 59 CG 1
   ATOM 1024 ND1 B HIS A 71 ? 14.51421 22.84218 -12.33114 0.529 9.63434 N ? A ? 59 ND1 1
   ATOM 1025 CD2 B HIS A 71 ? 14.59432 24.10227 -10.54635 0.529 9.89458 C ? A ? 59 CD2 1
   ATOM 1026 CE1 B HIS A 71 ? 14.56622 22.03245 -11.28749 0.529 9.65295 C ? A ? 59 CE1 1
   ATOM 1027 NE2 B HIS A 71 ? 14.61319 22.77575 -10.19463 0.529 8.59175 N ? A ? 59 NE2 1
   ATOM 1028 N A ASP A 72 ? 16.16603 27.34994 -11.56302 0.471 13.08701 N ? A ? 60 N 1
   ATOM 1029 CA A ASP A 72 ? 17.07373 27.78747 -10.50706 0.471 13.21164 C ? A ? 60 CA 1
   ATOM 1030 C A ASP A 72 ? 16.97513 26.84340 -9.30677 0.471 16.33428 C ? A ? 60 C 1
   ATOM 1031 O A ASP A 72 ? 15.88874 26.61859 -8.76181 0.471 17.02618 O ? A ? 60 O 1
   ATOM 1032 CB A ASP A 72 ? 16.74278 29.22204 -10.11051 0.471 18.89742 C ? A ? 60 CB 1
   ATOM 1033 CG A ASP A 72 ? 17.76268 29.82383 -9.15574 0.471 23.91911 C ? A ? 60 CG 1
   ATOM 1034 OD1 A ASP A 72 ? 18.63586 29.10402 -8.61420 0.471 28.81252 O ? A ? 60 OD1 1
   ATOM 1035 OD2 A ASP A 72 ? 17.68226 31.05174 -8.95879 0.471 21.43003 O ? A ? 60 OD2 1
   ATOM 1036 N B ASP A 72 ? 16.56940 27.14340 -11.67907 0.529 12.73102 N ? A ? 60 N 1
   ATOM 1037 CA B ASP A 72 ? 17.41080 27.62223 -10.58830 0.529 14.61150 C ? A ? 60 CA 1
   ATOM 1038 C B ASP A 72 ? 17.18793 26.77752 -9.34100 0.529 15.44304 C ? A ? 60 C 1
   ATOM 1039 O B ASP A 72 ? 16.06428 26.65222 -8.83493 0.529 17.60223 O ? A ? 60 O 1
   ATOM 1040 CB B ASP A 72 ? 17.12857 29.09023 -10.27662 0.529 17.97138 C ? A ? 60 CB 1
   ATOM 1041 CG B ASP A 72 ? 17.99791 29.61439 -9.13334 0.529 23.28883 C ? A ? 60 CG 1
   ATOM 1042 OD1 B ASP A 72 ? 19.13920 30.03987 -9.41667 0.529 27.84805 O ? A ? 60 OD1 1
   ATOM 1043 OD2 B ASP A 72 ? 17.56516 29.56952 -7.95448 0.529 15.10947 O ? A ? 60 OD2 1
   ATOM 1044 N A ARG A 73 ? 18.10531 26.25980 -8.90810 0.471 15.02987 N ? A ? 61 N 1
   ATOM 1045 CA A ARG A 73 ? 18.06181 25.26004 -7.83974 0.471 21.67014 C ? A ? 61 CA 1
   ATOM 1046 C A ARG A 73 ? 17.79690 25.86735 -6.45906 0.471 17.15682 C ? A ? 61 C 1
   ATOM 1047 O A ARG A 73 ? 17.40051 25.13573 -5.54708 0.471 23.69470 O ? A ? 61 O 1
   ATOM 1048 CB A ARG A 73 ? 19.34138 24.40299 -7.84616 0.471 31.89507 C ? A ? 61 CB 1
   ATOM 1049 CG A ARG A 73 ? 19.31885 23.12404 -6.97551 0.471 37.15662 C ? A ? 61 CG 1
   ATOM 1050 CD A ARG A 73 ? 18.87469 21.85016 -7.73156 0.471 29.99661 C ? A ? 61 CD 1
   ATOM 1051 NE A ARG A 73 ? 18.70618 20.70098 -6.84327 0.471 43.17570 N ? A ? 61 NE 1
   ATOM 1052 CZ A ARG A 73 ? 17.55713 20.07930 -6.59482 0.471 40.12330 C ? A ? 61 CZ 1
   ATOM 1053 NH1 A ARG A 73 ? 16.43996 20.40490 -7.22079 0.471 31.14391 N ? A ? 61 NH1 1
   ATOM 1054 NH2 A ARG A 73 ? 17.52539 19.11317 -5.68160 0.471 37.65157 N ? A ? 61 NH2 1
   ATOM 1055 N B ARG A 73 ? 18.25588 26.16969 -8.85503 0.529 16.01732 N ? A ? 61 N 1
   ATOM 1056 CA B ARG A 73 ? 18.06646 25.25379 -7.73799 0.529 21.69538 C ? A ? 61 CA 1
   ATOM 1057 C B ARG A 73 ? 17.76768 25.95510 -6.41694 0.529 16.98278 C ? A ? 61 C 1
   ATOM 1058 O B ARG A 73 ? 17.42122 25.27404 -5.44638 0.529 23.17987 O ? A ? 61 O 1
   ATOM 1059 CB B ARG A 73 ? 19.28616 24.34416 -7.58103 0.529 31.30198 C ? A ? 61 CB 1
   ATOM 1060 CG B ARG A 73 ? 20.58591 25.07661 -7.25273 0.529 30.78493 C ? A ? 61 CG 1
   ATOM 1061 CD B ARG A 73 ? 21.66714 24.07727 -6.81825 0.529 36.30102 C ? A ? 61 CD 1
   ATOM 1062 NE B ARG A 73 ? 21.34068 23.41741 -5.55625 0.529 41.84456 N ? A ? 61 NE 1
   ATOM 1063 CZ B ARG A 73 ? 22.02040 22.40117 -5.04227 0.529 42.96847 C ? A ? 61 CZ 1
   ATOM 1064 NH1 B ARG A 73 ? 23.06608 21.88188 -5.66622 0.529 48.22332 N ? A ? 61 NH1 1
   ATOM 1065 NH2 B ARG A 73 ? 21.63997 21.89008 -3.87528 0.529 43.92128 N ? A ? 61 NH2 1
   ATOM 1066 N A ASN A 74 ? 17.96928 27.17937 -6.27819 0.471 16.79217 N ? A ? 62 N 1
   ATOM 1067 CA A ASN A 74 ? 17.79907 27.75788 -4.94969 0.471 22.77070 C ? A ? 62 CA 1
   ATOM 1068 C A ASN A 74 ? 16.47296 28.48462 -4.77107 0.471 24.23314 C ? A ? 62 C 1
   ATOM 1069 O A ASN A 74 ? 16.11793 28.82107 -3.63427 0.471 29.93261 O ? A ? 62 O 1
   ATOM 1070 CB A ASN A 74 ? 18.94981 28.72397 -4.64018 0.471 29.44587 C ? A ? 62 CB 1
   ATOM 1071 CG A ASN A 74 ? 20.30354 28.06524 -4.74160 0.471 37.42244 C ? A ? 62 CG 1
   ATOM 1072 OD1 A ASN A 74 ? 20.48194 26.92002 -4.33040 0.471 32.01734 O ? A ? 62 OD1 1
   ATOM 1073 ND2 A ASN A 74 ? 21.27182 28.78902 -5.29686 0.471 47.35846 N ? A ? 62 ND2 1
   ATOM 1074 N B ASN A 74 ? 17.87159 27.28028 -6.34024 0.529 15.37558 N ? A ? 62 N 1
   ATOM 1075 CA B ASN A 74 ? 17.78093 27.90456 -5.02887 0.529 23.74091 C ? A ? 62 CA 1
   ATOM 1076 C B ASN A 74 ? 16.38001 28.40696 -4.72317 0.529 24.33084 C ? A ? 62 C 1
   ATOM 1077 O B ASN A 74 ? 15.85364 28.18713 -3.62185 0.529 15.24525 O ? A ? 62 O 1
   ATOM 1078 CB B ASN A 74 ? 18.80488 29.03989 -4.94937 0.529 26.93396 C ? A ? 62 CB 1
   ATOM 1079 CG B ASN A 74 ? 20.22044 28.54149 -5.15308 0.529 40.58536 C ? A ? 62 CG 1
   ATOM 1080 OD1 B ASN A 74 ? 20.77060 27.85824 -4.28585 0.529 37.28125 O ? A ? 62 OD1 1
   ATOM 1081 ND2 B ASN A 74 ? 20.81311 28.86017 -6.31157 0.529 23.85786 N ? A ? 62 ND2 1
   ATOM 1082 N A GLU A 75 ? 15.73986 28.73260 -5.84930 0.471 22.30253 N ? A ? 63 N 1
   ATOM 1083 CA A GLU A 75 ? 14.51864 29.52064 -5.79121 0.471 21.38563 C ? A ? 63 CA 1
   ATOM 1084 C A GLU A 75 ? 13.31478 28.59911 -5.62660 0.471 16.42784 C ? A ? 63 C 1
   ATOM 1085 O A GLU A 75 ? 13.05715 27.78092 -6.51867 0.471 14.54589 O ? A ? 63 O 1
   ATOM 1086 CB A GLU A 75 ? 14.37102 30.30309 -7.08175 0.471 22.87068 C ? A ? 63 CB 1
   ATOM 1087 CG A GLU A 75 ? 13.18329 31.21025 -7.08477 0.471 33.83810 C ? A ? 63 CG 1
   ATOM 1088 CD A GLU A 75 ? 13.33168 32.32062 -6.06769 0.471 40.76519 C ? A ? 63 CD 1
   ATOM 1089 OE1 A GLU A 75 ? 14.48493 32.66430 -5.71499 0.471 50.07794 O ? A ? 63 OE1 1
   ATOM 1090 OE2 A GLU A 75 ? 12.29697 32.85018 -5.62094 0.471 38.91422 O ? A ? 63 OE2 1
   ATOM 1091 N B GLU A 75 ? 15.77997 29.08141 -5.67699 0.529 20.09538 N ? A ? 63 N 1
   ATOM 1092 CA B GLU A 75 ? 14.48534 29.69394 -5.48935 0.529 21.08878 C ? A ? 63 CA 1
   ATOM 1093 C B GLU A 75 ? 13.44351 28.59555 -5.35133 0.529 15.43352 C ? A ? 63 C 1
   ATOM 1094 O B GLU A 75 ? 13.26417 27.80172 -6.28474 0.529 17.82624 O ? A ? 63 O 1
   ATOM 1095 CB B GLU A 75 ? 14.20157 30.54115 -6.73277 0.529 20.90277 C ? A ? 63 CB 1
   ATOM 1096 CG B GLU A 75 ? 12.89089 31.28856 -6.70490 0.529 35.17614 C ? A ? 63 CG 1
   ATOM 1097 CD B GLU A 75 ? 12.97502 32.59017 -5.93387 0.529 40.59672 C ? A ? 63 CD 1
   ATOM 1098 OE1 B GLU A 75 ? 14.00203 32.81398 -5.24797 0.529 38.58322 O ? A ? 63 OE1 1
   ATOM 1099 OE2 B GLU A 75 ? 12.01530 33.39018 -6.02492 0.529 41.35737 O ? A ? 63 OE2 1
   ATOM 1100 N A PRO A 76 ? 12.53754 28.70591 -4.54398 0.471 10.28430 N ? A ? 64 N 1
   ATOM 1101 CA A PRO A 76 ? 11.39881 27.78955 -4.37998 0.471 6.47737 C ? A ? 64 CA 1
   ATOM 1102 C A PRO A 76 ? 10.46726 27.83649 -5.57212 0.471 6.20091 C ? A ? 64 C 1
   ATOM 1103 O A PRO A 76 ? 10.39253 28.86789 -6.25509 0.471 5.97433 O ? A ? 64 O 1
   ATOM 1104 CB A PRO A 76 ? 10.71409 28.33376 -3.12288 0.471 9.28044 C ? A ? 64 CB 1
   ATOM 1105 CG A PRO A 76 ? 11.88609 28.77418 -2.24881 0.471 7.50717 C ? A ? 64 CG 1
   ATOM 1106 CD A PRO A 76 ? 12.74421 29.52657 -3.32737 0.471 13.69948 C ? A ? 64 CD 1
   ATOM 1107 N B PRO A 76 ? 12.75962 28.49085 -4.22172 0.529 11.11078 N ? A ? 64 N 1
   ATOM 1108 CA B PRO A 76 ? 11.63071 27.56253 -4.13772 0.529 10.56688 C ? A ? 64 CA 1
   ATOM 1109 C B PRO A 76 ? 10.67788 27.75765 -5.30756 0.529 7.44062 C ? A ? 64 C 1
   ATOM 1110 O B PRO A 76 ? 10.34332 28.89931 -5.70412 0.529 9.07542 O ? A ? 64 O 1
   ATOM 1111 CB B PRO A 76 ? 10.95156 27.95018 -2.83764 0.529 10.12529 C ? A ? 64 CB 1
   ATOM 1112 CG B PRO A 76 ? 11.51908 29.33199 -2.45724 0.529 18.94514 C ? A ? 64 CG 1
   ATOM 1113 CD B PRO A 76 ? 12.89956 29.32136 -3.01088 0.529 12.66394 C ? A ? 64 CD 1
   ATOM 1114 N A PHE A 77 ? 9.77286 26.71683 -5.80815 0.471 6.21750 N ? A ? 65 N 1
   ATOM 1115 CA A PHE A 77 ? 8.70818 26.62502 -6.79434 0.471 5.78540 C ? A ? 65 CA 1
   ATOM 1116 C A PHE A 77 ? 7.39171 26.66058 -6.03967 0.471 6.86208 C ? A ? 65 C 1
   ATOM 1117 O A PHE A 77 ? 7.17053 25.84723 -5.12287 0.471 6.83634 O ? A ? 65 O 1
   ATOM 1118 CB A PHE A 77 ? 8.83891 25.31660 -7.56141 0.471 7.57732 C ? A ? 65 CB 1
   ATOM 1119 CG A PHE A 77 ? 7.79093 25.10063 -8.58692 0.471 5.38792 C ? A ? 65 CG 1
   ATOM 1120 CD1 A PHE A 77 ? 6.55335 24.55769 -8.28604 0.471 7.02567 C ? A ? 65 CD1 1
   ATOM 1121 CD2 A PHE A 77 ? 8.05842 25.44648 -9.91190 0.471 7.41546 C ? A ? 65 CD2 1
   ATOM 1122 CE1 A PHE A 77 ? 5.59936 24.33023 -9.27782 0.471 7.37900 C ? A ? 65 CE1 1
   ATOM 1123 CE2 A PHE A 77 ? 7.13911 25.17874 -10.91174 0.471 7.19803 C ? A ? 65 CE2 1
   ATOM 1124 CZ A PHE A 77 ? 5.87510 24.69925 -10.57819 0.471 7.65267 C ? A ? 65 CZ 1
   ATOM 1125 N B PHE A 77 ? 10.28581 26.63169 -5.89930 0.529 7.97338 N ? A ? 65 N 1
   ATOM 1126 CA B PHE A 77 ? 9.19623 26.58684 -6.86100 0.529 8.05344 C ? A ? 65 CA 1
   ATOM 1127 C B PHE A 77 ? 7.89451 26.63990 -6.05666 0.529 7.24695 C ? A ? 65 C 1
   ATOM 1128 O B PHE A 77 ? 7.73323 25.89315 -5.06345 0.529 7.03264 O ? A ? 65 O 1
   ATOM 1129 CB B PHE A 77 ? 9.33948 25.28918 -7.68568 0.529 5.62618 C ? A ? 65 CB 1
   ATOM 1130 CG B PHE A 77 ? 8.27889 25.07091 -8.70342 0.529 8.01350 C ? A ? 65 CG 1
   ATOM 1131 CD1 B PHE A 77 ? 8.47400 25.52920 -10.01505 0.529 7.46488 C ? A ? 65 CD1 1
   ATOM 1132 CD2 B PHE A 77 ? 7.09601 24.40108 -8.40820 0.529 6.25492 C ? A ? 65 CD2 1
   ATOM 1133 CE1 B PHE A 77 ? 7.52199 25.29840 -11.00058 0.529 9.41325 C ? A ? 65 CE1 1
   ATOM 1134 CE2 B PHE A 77 ? 6.12002 24.20628 -9.40866 0.529 6.15140 C ? A ? 65 CE2 1
   ATOM 1135 CZ B PHE A 77 ? 6.32913 24.67979 -10.69918 0.529 9.52523 C ? A ? 65 CZ 1
   ATOM 1136 N A VAL A 78 ? 6.50799 27.56340 -6.45706 0.471 6.66702 N ? A ? 66 N 1
   ATOM 1137 CA A VAL A 78 ? 5.30940 27.88512 -5.70749 0.471 6.08220 C ? A ? 66 CA 1
   ATOM 1138 C A VAL A 78 ? 4.07896 27.65695 -6.55757 0.471 8.50384 C ? A ? 66 C 1
   ATOM 1139 O A VAL A 78 ? 3.99324 28.16592 -7.67872 0.471 7.85925 O ? A ? 66 O 1
   ATOM 1140 CB A VAL A 78 ? 5.36931 29.32435 -5.19218 0.471 10.67801 C ? A ? 66 CB 1
   ATOM 1141 CG1 A VAL A 78 ? 4.11813 29.68992 -4.46685 0.471 10.22927 C ? A ? 66 CG1 1
   ATOM 1142 CG2 A VAL A 78 ? 6.59808 29.49466 -4.35389 0.471 9.89488 C ? A ? 66 CG2 1
   ATOM 1143 N B VAL A 78 ? 6.98984 27.55486 -6.45213 0.529 8.83554 N ? A ? 66 N 1
   ATOM 1144 CA B VAL A 78 ? 5.79027 27.85998 -5.67267 0.529 8.48378 C ? A ? 66 CA 1
   ATOM 1145 C B VAL A 78 ? 4.56254 27.70007 -6.54465 0.529 8.49242 C ? A ? 66 C 1
   ATOM 1146 O B VAL A 78 ? 4.54243 28.19746 -7.66524 0.529 8.87230 O ? A ? 66 O 1
   ATOM 1147 CB B VAL A 78 ? 5.83211 29.28436 -5.09358 0.529 9.29127 C ? A ? 66 CB 1
   ATOM 1148 CG1 B VAL A 78 ? 4.69340 29.51852 -4.11193 0.529 9.46924 C ? A ? 66 CG1 1
   ATOM 1149 CG2 B VAL A 78 ? 7.21629 29.61230 -4.59534 0.529 10.29799 C ? A ? 66 CG2 1
   ATOM 1150 N A PHE A 79 ? 3.09999 26.95775 -5.98822 0.471 6.21831 N ? A ? 67 N 1
   ATOM 1151 CA A PHE A 79 ? 1.82385 26.80120 -6.64515 0.471 7.26793 C ? A ? 67 CA 1
   ATOM 1152 C A PHE A 79 ? 0.70575 26.62653 -5.62613 0.471 6.65435 C ? A ? 67 C 1
   ATOM 1153 O A PHE A 79 ? 0.94308 26.23713 -4.47495 0.471 8.37550 O ? A ? 67 O 1
   ATOM 1154 CB A PHE A 79 ? 1.89329 25.66750 -7.68109 0.471 6.57112 C ? A ? 67 CB 1
   ATOM 1155 CG A PHE A 79 ? 2.01630 24.24406 -7.10753 0.471 4.87109 C ? A ? 67 CG 1
   ATOM 1156 CD1 A PHE A 79 ? 3.22074 23.78084 -6.55221 0.471 7.33685 C ? A ? 67 CD1 1
   ATOM 1157 CD2 A PHE A 79 ? 0.89103 23.42738 -7.11532 0.471 6.02132 C ? A ? 67 CD2 1
   ATOM 1158 CE1 A PHE A 79 ? 3.29335 22.45996 -6.02309 0.471 8.21197 C ? A ? 67 CE1 1
   ATOM 1159 CE2 A PHE A 79 ? 0.95546 22.13369 -6.62148 0.471 7.42936 C ? A ? 67 CE2 1
   ATOM 1160 CZ A PHE A 79 ? 2.15269 21.66318 -6.03525 0.471 10.28267 C ? A ? 67 CZ 1
   ATOM 1161 N B PHE A 79 ? 3.53501 27.02644 -6.03833 0.529 7.61572 N ? A ? 67 N 1
   ATOM 1162 CA B PHE A 79 ? 2.26672 26.96274 -6.76737 0.529 7.74372 C ? A ? 67 CA 1
   ATOM 1163 C B PHE A 79 ? 1.13387 26.76737 -5.78161 0.529 5.61337 C ? A ? 67 C 1
   ATOM 1164 O B PHE A 79 ? 1.36620 26.48449 -4.61697 0.529 6.96559 O ? A ? 67 O 1
   ATOM 1165 CB B PHE A 79 ? 2.24592 25.91630 -7.89123 0.529 10.50162 C ? A ? 67 CB 1
   ATOM 1166 CG B PHE A 79 ? 2.20086 24.48204 -7.42173 0.529 8.42053 C ? A ? 67 CG 1
   ATOM 1167 CD1 B PHE A 79 ? 3.34783 23.88075 -6.97635 0.529 9.22430 C ? A ? 67 CD1 1
   ATOM 1168 CD2 B PHE A 79 ? 1.00188 23.78543 -7.36556 0.529 7.49657 C ? A ? 67 CD2 1
   ATOM 1169 CE1 B PHE A 79 ? 3.34398 22.55523 -6.56047 0.529 9.00521 C ? A ? 67 CE1 1
   ATOM 1170 CE2 B PHE A 79 ? 0.98195 22.44911 -6.91217 0.529 8.00897 C ? A ? 67 CE2 1
   ATOM 1171 CZ B PHE A 79 ? 2.17229 21.84114 -6.50735 0.529 7.29288 C ? A ? 67 CZ 1
   ATOM 1172 N A SER A 80 ? -0.52618 26.81728 -6.09798 0.471 7.11261 N ? A ? 68 N 1
   ATOM 1173 CA A SER A 80 ? -1.71785 26.62695 -5.27444 0.471 7.28835 C ? A ? 68 CA 1
   ATOM 1174 C A SER A 80 ? -2.19491 25.19350 -5.42139 0.471 7.25159 C ? A ? 68 C 1
   ATOM 1175 O A SER A 80 ? -2.56938 24.80132 -6.52744 0.471 7.52632 O ? A ? 68 O 1
   ATOM 1176 CB A SER A 80 ? -2.84464 27.58921 -5.65104 0.471 5.48680 C ? A ? 68 CB 1
   ATOM 1177 OG A SER A 80 ? -2.37394 28.93370 -5.56809 0.471 6.95979 O ? A ? 68 OG 1
   ATOM 1178 N B SER A 80 ? -0.09120 26.86385 -6.25721 0.529 6.26171 N ? A ? 68 N 1
   ATOM 1179 CA B SER A 80 ? -1.27421 26.64971 -5.43277 0.529 7.57592 C ? A ? 68 CA 1
   ATOM 1180 C B SER A 80 ? -1.82093 25.26056 -5.68886 0.529 8.19158 C ? A ? 68 C 1
   ATOM 1181 O B SER A 80 ? -2.17021 24.94654 -6.82253 0.529 9.28831 O ? A ? 68 O 1
   ATOM 1182 CB B SER A 80 ? -2.31835 27.69997 -5.74418 0.529 6.77129 C ? A ? 68 CB 1
   ATOM 1183 OG B SER A 80 ? -1.92241 28.93270 -5.16360 0.529 8.56854 O ? A ? 68 OG 1
   ATOM 1184 N A LEU A 81 ? -2.17934 24.40860 -4.33211 0.471 5.99936 N ? A ? 69 N 1
   ATOM 1185 CA A LEU A 81 ? -2.43842 22.98422 -4.40762 0.471 5.82193 C ? A ? 69 CA 1
   ATOM 1186 C A LEU A 81 ? -3.81757 22.70513 -5.00688 0.471 7.19811 C ? A ? 69 C 1
   ATOM 1187 O A LEU A 81 ? -4.83273 23.21666 -4.54682 0.471 8.87745 O ? A ? 69 O 1
   ATOM 1188 CB A LEU A 81 ? -2.32338 22.37155 -3.00238 0.471 6.85829 C ? A ? 69 CB 1
   ATOM 1189 CG A LEU A 81 ? -2.41322 20.83772 -3.04005 0.471 7.26112 C ? A ? 69 CG 1
   ATOM 1190 CD1 A LEU A 81 ? -1.12692 20.24239 -3.63841 0.471 8.50424 C ? A ? 69 CD1 1
   ATOM 1191 CD2 A LEU A 81 ? -2.69774 20.22738 -1.70525 0.471 8.55896 C ? A ? 69 CD2 1
   ATOM 1192 N B LEU A 81 ? -1.92452 24.45208 -4.62896 0.529 6.60199 N ? A ? 69 N 1
   ATOM 1193 CA B LEU A 81 ? -2.22806 23.02849 -4.76805 0.529 7.26319 C ? A ? 69 CA 1
   ATOM 1194 C B LEU A 81 ? -3.67943 22.80138 -5.13710 0.529 7.30697 C ? A ? 69 C 1
   ATOM 1195 O B LEU A 81 ? -4.59805 23.44118 -4.62638 0.529 10.47746 O ? A ? 69 O 1
   ATOM 1196 CB B LEU A 81 ? -1.99078 22.34750 -3.43101 0.529 8.09983 C ? A ? 69 CB 1
   ATOM 1197 CG B LEU A 81 ? -2.14846 20.82108 -3.38104 0.529 7.15626 C ? A ? 69 CG 1
   ATOM 1198 CD1 B LEU A 81 ? -1.13778 20.14398 -4.28167 0.529 8.98514 C ? A ? 69 CD1 1
   ATOM 1199 CD2 B LEU A 81 ? -1.98139 20.31166 -1.96696 0.529 9.67582 C ? A ? 69 CD2 1
   ATOM 1200 N . GLY A 82 ? -3.87020 21.83177 -6.01972 1.000 8.51224 N ? A ? 70 N 1
   ATOM 1201 CA . GLY A 82 ? -5.16884 21.30277 -6.43793 1.000 10.03383 C ? A ? 70 CA 1
   ATOM 1202 C . GLY A 82 ? -5.95789 22.23650 -7.31604 1.000 11.79679 C ? A ? 70 C 1
   ATOM 1203 O . GLY A 82 ? -7.15927 22.03095 -7.55360 1.000 12.15572 O ? A ? 70 O 1
   ATOM 1204 N B LYS A 83 ? -5.28780 23.24718 -7.88234 0.842 9.58908 N ? A ? 71 N 1
   ATOM 1205 CA B LYS A 83 ? -5.91783 24.22579 -8.76303 0.842 9.64457 C ? A ? 71 CA 1
   ATOM 1206 C B LYS A 83 ? -5.51875 24.07195 -10.21480 0.842 9.34284 C ? A ? 71 C 1
   ATOM 1207 O B LYS A 83 ? -5.80642 24.97185 -11.03727 0.842 11.05054 O ? A ? 71 O 1
   ATOM 1208 CB B LYS A 83 ? -5.58866 25.61654 -8.19497 0.842 11.26722 C ? A ? 71 CB 1
   ATOM 1209 CG B LYS A 83 ? -5.97365 25.77250 -6.71865 0.842 13.74099 C ? A ? 71 CG 1
   ATOM 1210 CD B LYS A 83 ? -7.45303 25.56700 -6.44148 0.842 16.32633 C ? A ? 71 CD 1
   ATOM 1211 CE B LYS A 83 ? -7.93175 26.16510 -5.13890 0.842 22.41032 C ? A ? 71 CE 1
   ATOM 1212 NZ B LYS A 83 ? -9.40686 25.98728 -5.07436 0.842 27.52825 N ? A ? 71 NZ 1
   ATOM 1213 N C LYS A 83 ? -5.29646 23.29137 -7.78373 0.158 9.50537 N ? A ? 71 N 1
   ATOM 1214 CA C LYS A 83 ? -5.94206 24.29631 -8.61353 0.158 10.78973 C ? A ? 71 CA 1
   ATOM 1215 C C LYS A 83 ? -5.57563 24.17176 -10.08167 0.158 9.26248 C ? A ? 71 C 1
   ATOM 1216 O C LYS A 83 ? -5.76345 25.12554 -10.84265 0.158 11.04218 O ? A ? 71 O 1
   ATOM 1217 CB C LYS A 83 ? -5.63867 25.69419 -8.07824 0.158 10.99679 C ? A ? 71 CB 1
   ATOM 1218 CG C LYS A 83 ? -6.40115 25.99965 -6.81183 0.158 14.54240 C ? A ? 71 CG 1
   ATOM 1219 CD C LYS A 83 ? -7.90190 25.97295 -7.06224 0.158 11.84808 C ? A ? 71 CD 1
   ATOM 1220 CE C LYS A 83 ? -8.66532 25.97256 -5.75137 0.158 21.55353 C ? A ? 71 CE 1
   ATOM 1221 NZ C LYS A 83 ? -10.13264 25.87117 -5.96601 0.158 19.30820 N ? A ? 71 NZ 1
   ATOM 1222 N B GLY A 84 ? -4.88641 22.98096 -10.59757 0.842 9.00704 N ? A ? 72 N 1
   ATOM 1223 CA B GLY A 84 ? -4.56247 22.81451 -12.00243 0.842 8.98541 C ? A ? 72 CA 1
   ATOM 1224 C B GLY A 84 ? -3.53209 23.79900 -12.50126 0.842 7.83204 C ? A ? 72 C 1
   ATOM 1225 O B GLY A 84 ? -3.58005 24.15609 -13.68902 0.842 9.19557 O ? A ? 72 O 1
   ATOM 1226 N C GLY A 84 ? -5.06172 23.02232 -10.49978 0.158 8.75870 N ? A ? 72 N 1
   ATOM 1227 CA C GLY A 84 ? -4.79997 22.81780 -11.91307 0.158 8.64437 C ? A ? 72 CA 1
   ATOM 1228 C C GLY A 84 ? -3.77695 23.76538 -12.49188 0.158 8.47118 C ? A ? 72 C 1
   ATOM 1229 O C GLY A 84 ? -3.86320 24.11252 -13.67338 0.158 6.47571 O ? A ? 72 O 1
   ATOM 1230 N B GLN A 85 ? -2.63073 24.24765 -11.65769 0.842 7.06034 N ? A ? 73 N 1
   ATOM 1231 CA B GLN A 85 ? -1.51312 25.09882 -12.05571 0.842 7.26903 C ? A ? 73 CA 1
   ATOM 1232 C B GLN A 85 ? -0.32202 24.29783 -12.53857 0.842 6.28439 C ? A ? 73 C 1
   ATOM 1233 O B GLN A 85 ? 0.64607 24.91053 -13.04308 0.842 7.32251 O ? A ? 73 O 1
   ATOM 1234 CB B GLN A 85 ? -1.11258 26.01681 -10.90546 0.842 7.19891 C ? A ? 73 CB 1
   ATOM 1235 CG B GLN A 85 ? -2.21564 26.96006 -10.53301 0.842 7.47411 C ? A ? 73 CG 1
   ATOM 1236 CD B GLN A 85 ? -1.77174 27.94531 -9.47628 0.842 7.71693 C ? A ? 73 CD 1
   ATOM 1237 OE1 B GLN A 85 ? -0.72528 27.81930 -8.87022 0.842 8.14827 O ? A ? 73 OE1 1
   ATOM 1238 NE2 B GLN A 85 ? -2.55749 29.03687 -9.32983 0.842 8.87090 N ? A ? 73 NE2 1
   ATOM 1239 N C GLN A 85 ? -2.81239 24.19802 -11.69105 0.158 6.11340 N ? A ? 73 N 1
   ATOM 1240 CA C GLN A 85 ? -1.72447 25.02831 -12.18894 0.158 7.42267 C ? A ? 73 CA 1
   ATOM 1241 C C GLN A 85 ? -0.53864 24.22806 -12.72025 0.158 4.43533 C ? A ? 73 C 1
   ATOM 1242 O C GLN A 85 ? 0.28875 24.80888 -13.42448 0.158 2.18356 O ? A ? 73 O 1
   ATOM 1243 CB C GLN A 85 ? -1.22524 26.00258 -11.10539 0.158 6.40521 C ? A ? 73 CB 1
   ATOM 1244 CG C GLN A 85 ? -2.29497 26.94998 -10.54198 0.158 7.47971 C ? A ? 73 CG 1
   ATOM 1245 CD C GLN A 85 ? -1.76222 27.98884 -9.53568 0.158 7.70950 C ? A ? 73 CD 1
   ATOM 1246 OE1 C GLN A 85 ? -1.19964 27.66622 -8.50496 0.158 2.97815 O ? A ? 73 OE1 1
   ATOM 1247 NE2 C GLN A 85 ? -1.98942 29.25532 -9.83481 0.158 6.28712 N ? A ? 73 NE2 1
   ATOM 1248 N B VAL A 86 ? -0.33296 22.97941 -12.26403 0.842 6.12485 N ? A ? 74 N 1
   ATOM 1249 CA B VAL A 86 ? 0.74685 22.05703 -12.59231 0.842 6.94170 C ? A ? 74 CA 1
   ATOM 1250 C B VAL A 86 ? 0.07265 20.79249 -13.11093 0.842 5.20331 C ? A ? 74 C 1
   ATOM 1251 O B VAL A 86 ? -1.13873 20.65728 -13.02427 0.842 6.03393 O ? A ? 74 O 1
   ATOM 1252 CB B VAL A 86 ? 1.57651 21.70032 -11.32312 0.842 6.09928 C ? A ? 74 CB 1
   ATOM 1253 CG1 B VAL A 86 ? 2.35999 22.90793 -10.86900 0.842 7.76452 C ? A ? 74 CG1 1
   ATOM 1254 CG2 B VAL A 86 ? 0.67809 21.18186 -10.23377 0.842 6.48403 C ? A ? 74 CG2 1
   ATOM 1255 N C VAL A 86 ? -0.42346 22.92403 -12.39224 0.158 5.63555 N ? A ? 74 N 1
   ATOM 1256 CA C VAL A 86 ? 0.74317 22.08567 -12.71507 0.158 6.78646 C ? A ? 74 CA 1
   ATOM 1257 C C VAL A 86 ? 0.26201 20.76093 -13.29348 0.158 4.61672 C ? A ? 74 C 1
   ATOM 1258 O C VAL A 86 ? -0.93331 20.51021 -13.36762 0.158 2.26951 O ? A ? 74 O 1
   ATOM 1259 CB C VAL A 86 ? 1.67803 21.83537 -11.50554 0.158 7.04582 C ? A ? 74 CB 1
   ATOM 1260 CG1 C VAL A 86 ? 2.43256 23.10983 -11.16399 0.158 5.80839 C ? A ? 74 CG1 1
   ATOM 1261 CG2 C VAL A 86 ? 0.91804 21.29353 -10.30043 0.158 6.40429 C ? A ? 74 CG2 1
   ATOM 1262 N B ILE A 87 ? 0.87919 19.89828 -13.66621 0.842 5.88390 N ? A ? 75 N 1
   ATOM 1263 CA B ILE A 87 ? 0.36182 18.61378 -14.13922 0.842 4.92734 C ? A ? 75 CA 1
   ATOM 1264 C B ILE A 87 ? -0.39766 17.87834 -13.02607 0.842 5.17323 C ? A ? 75 C 1
   ATOM 1265 O B ILE A 87 ? -0.12405 18.05590 -11.83256 0.842 5.79081 O ? A ? 75 O 1
   ATOM 1266 CB B ILE A 87 ? 1.45957 17.71000 -14.73591 0.842 5.75959 C ? A ? 75 CB 1
   ATOM 1267 CG1 B ILE A 87 ? 2.59410 17.42235 -13.74436 0.842 6.67525 C ? A ? 75 CG1 1
   ATOM 1268 CG2 B ILE A 87 ? 1.94974 18.30925 -16.10341 0.842 6.67806 C ? A ? 75 CG2 1
   ATOM 1269 CD1 B ILE A 87 ? 3.56215 16.34442 -14.23983 0.842 7.37074 C ? A ? 75 CD1 1
   ATOM 1270 N C ILE A 87 ? 1.21211 19.91248 -13.70779 0.158 4.67358 N ? A ? 75 N 1
   ATOM 1271 CA C ILE A 87 ? 0.81815 18.61708 -14.25984 0.158 3.29198 C ? A ? 75 CA 1
   ATOM 1272 C C ILE A 87 ? 0.12096 17.81715 -13.16922 0.158 4.31013 C ? A ? 75 C 1
   ATOM 1273 O C ILE A 87 ? 0.36690 18.01281 -11.97373 0.158 3.23541 O ? A ? 75 O 1
   ATOM 1274 CB C ILE A 87 ? 2.00302 17.83881 -14.84511 0.158 4.22506 C ? A ? 75 CB 1
   ATOM 1275 CG1 C ILE A 87 ? 3.05074 17.57476 -13.75951 0.158 5.96707 C ? A ? 75 CG1 1
   ATOM 1276 CG2 C ILE A 87 ? 2.57978 18.63779 -16.01490 0.158 5.01330 C ? A ? 75 CG2 1
   ATOM 1277 CD1 C ILE A 87 ? 4.03765 16.48478 -14.14691 0.158 5.52648 C ? A ? 75 CD1 1
   ATOM 1278 N B LYS A 88 ? -1.38514 17.10974 -13.43469 0.842 6.03158 N ? A ? 76 N 1
   ATOM 1279 CA B LYS A 88 ? -2.26994 16.42993 -12.49222 0.842 6.09823 C ? A ? 76 CA 1
   ATOM 1280 C B LYS A 88 ? -1.49664 15.61858 -11.46962 0.842 5.89687 C ? A ? 76 C 1
   ATOM 1281 O B LYS A 88 ? -1.83270 15.64490 -10.27131 0.842 5.81480 O ? A ? 76 O 1
   ATOM 1282 CB B LYS A 88 ? -3.19833 15.47380 -13.23277 0.842 8.22198 C ? A ? 76 CB 1
   ATOM 1283 CG B LYS A 88 ? -4.25824 16.19527 -14.08554 0.842 12.82589 C ? A ? 76 CG 1
   ATOM 1284 CD B LYS A 88 ? -5.50086 15.35321 -14.51656 0.842 35.84670 C ? A ? 76 CD 1
   ATOM 1285 CE B LYS A 88 ? -6.06672 15.77387 -15.92899 0.842 26.19355 C ? A ? 76 CE 1
   ATOM 1286 NZ B LYS A 88 ? -7.27618 16.68137 -15.89693 0.842 46.39888 N ? A ? 76 NZ 1
   ATOM 1287 N C LYS A 88 ? -0.79914 16.94223 -13.59167 0.158 1.37214 N ? A ? 76 N 1
   ATOM 1288 CA C LYS A 88 ? -1.69487 16.26968 -12.63472 0.158 4.28139 C ? A ? 76 CA 1
   ATOM 1289 C C LYS A 88 ? -0.93491 15.54952 -11.52058 0.158 4.29090 C ? A ? 76 C 1
   ATOM 1290 O C LYS A 88 ? -1.36656 15.56453 -10.35769 0.158 4.13210 O ? A ? 76 O 1
   ATOM 1291 CB C LYS A 88 ? -2.66533 15.30951 -13.34589 0.158 5.95329 C ? A ? 76 CB 1
   ATOM 1292 CG C LYS A 88 ? -3.86925 14.90222 -12.46920 0.158 5.15767 C ? A ? 76 CG 1
   ATOM 1293 CD C LYS A 88 ? -5.04633 14.34802 -13.28704 0.158 14.69459 C ? A ? 76 CD 1
   ATOM 1294 CE C LYS A 88 ? -6.38198 14.52587 -12.56864 0.158 17.19578 C ? A ? 76 CE 1
   ATOM 1295 NZ C LYS A 88 ? -6.46254 13.70090 -11.34641 0.158 15.08605 N ? A ? 76 NZ 1
   ATOM 1296 N B ALA A 89 ? -0.42754 14.92806 -11.88224 0.842 5.02208 N ? A ? 77 N 1
   ATOM 1297 CA B ALA A 89 ? 0.33679 14.12604 -10.92470 0.842 5.26801 C ? A ? 77 CA 1
   ATOM 1298 C B ALA A 89 ? 0.88164 14.95133 -9.77441 0.842 4.48052 C ? A ? 77 C 1
   ATOM 1299 O B ALA A 89 ? 1.01437 14.42038 -8.65937 0.842 5.37563 O ? A ? 77 O 1
   ATOM 1300 CB B ALA A 89 ? 1.51986 13.46327 -11.62821 0.842 6.68975 C ? A ? 77 CB 1
   ATOM 1301 N C ALA A 89 ? 0.20313 14.92938 -11.84342 0.158 3.11992 N ? A ? 77 N 1
   ATOM 1302 CA C ALA A 89 ? 0.89620 14.11926 -10.84790 0.158 4.69209 C ? A ? 77 CA 1
   ATOM 1303 C C ALA A 89 ? 1.37204 14.95162 -9.67572 0.158 4.88654 C ? A ? 77 C 1
   ATOM 1304 O C ALA A 89 ? 1.62148 14.40479 -8.58888 0.158 1.14310 O ? A ? 77 O 1
   ATOM 1305 CB C ALA A 89 ? 2.10616 13.43736 -11.47461 0.158 4.59809 C ? A ? 77 CB 1
   ATOM 1306 N B TRP A 90 ? 1.32805 16.19932 -10.02959 0.842 4.96903 N ? A ? 78 N 1
   ATOM 1307 CA B TRP A 90 ? 1.83126 17.03019 -8.92975 0.842 5.76969 C ? A ? 78 CA 1
   ATOM 1308 C B TRP A 90 ? 0.72482 17.46387 -7.97029 0.842 5.30475 C ? A ? 78 C 1
   ATOM 1309 O B TRP A 90 ? 0.92416 17.50183 -6.75843 0.842 5.91694 O ? A ? 78 O 1
   ATOM 1310 CB B TRP A 90 ? 2.57293 18.23541 -9.49572 0.842 5.85209 C ? A ? 78 CB 1
   ATOM 1311 CG B TRP A 90 ? 4.03943 18.03145 -9.71685 0.842 5.53268 C ? A ? 78 CG 1
   ATOM 1312 CD1 B TRP A 90 ? 4.68364 17.03284 -10.39886 0.842 5.73049 C ? A ? 78 CD1 1
   ATOM 1313 CD2 B TRP A 90 ? 5.06459 18.90470 -9.23295 0.842 4.99191 C ? A ? 78 CD2 1
   ATOM 1314 NE1 B TRP A 90 ? 6.02672 17.21615 -10.33931 0.842 5.38087 N ? A ? 78 NE1 1
   ATOM 1315 CE2 B TRP A 90 ? 6.29199 18.38018 -9.65075 0.842 5.47259 C ? A ? 78 CE2 1
   ATOM 1316 CE3 B TRP A 90 ? 5.05298 20.10230 -8.49558 0.842 6.39919 C ? A ? 78 CE3 1
   ATOM 1317 CZ2 B TRP A 90 ? 7.52716 18.99399 -9.33644 0.842 5.98264 C ? A ? 78 CZ2 1
   ATOM 1318 CZ3 B TRP A 90 ? 6.24120 20.67645 -8.19272 0.842 7.04992 C ? A ? 78 CZ3 1
   ATOM 1319 CH2 B TRP A 90 ? 7.44375 20.17762 -8.61934 0.842 6.31991 C ? A ? 78 CH2 1
   ATOM 1320 N C TRP A 90 ? 1.49585 16.25749 -9.86633 0.158 4.64535 N ? A ? 78 N 1
   ATOM 1321 CA C TRP A 90 ? 1.93408 17.11576 -8.77924 0.158 5.52349 C ? A ? 78 CA 1
   ATOM 1322 C C TRP A 90 ? 0.79852 17.51730 -7.83977 0.158 5.46938 C ? A ? 78 C 1
   ATOM 1323 O C TRP A 90 ? 1.02536 17.64349 -6.63737 0.158 5.76552 O ? A ? 78 O 1
   ATOM 1324 CB C TRP A 90 ? 2.60986 18.33948 -9.36762 0.158 5.71067 C ? A ? 78 CB 1
   ATOM 1325 CG C TRP A 90 ? 4.06451 18.18301 -9.53892 0.158 6.14035 C ? A ? 78 CG 1
   ATOM 1326 CD1 C TRP A 90 ? 4.74284 17.19120 -10.20591 0.158 5.38410 C ? A ? 78 CD1 1
   ATOM 1327 CD2 C TRP A 90 ? 5.04420 19.06914 -9.02723 0.158 5.16212 C ? A ? 78 CD2 1
   ATOM 1328 NE1 C TRP A 90 ? 6.09608 17.41473 -10.12459 0.158 5.73803 N ? A ? 78 NE1 1
   ATOM 1329 CE2 C TRP A 90 ? 6.30472 18.56869 -9.40881 0.158 5.38016 C ? A ? 78 CE2 1
   ATOM 1330 CE3 C TRP A 90 ? 4.97798 20.24951 -8.27636 0.158 6.17034 C ? A ? 78 CE3 1
   ATOM 1331 CZ2 C TRP A 90 ? 7.49445 19.20698 -9.05990 0.158 5.75568 C ? A ? 78 CZ2 1
   ATOM 1332 CZ3 C TRP A 90 ? 6.14592 20.86173 -7.91317 0.158 5.48200 C ? A ? 78 CZ3 1
   ATOM 1333 CH2 C TRP A 90 ? 7.39108 20.36117 -8.32295 0.158 6.14448 C ? A ? 78 CH2 1
   ATOM 1334 N B ASP A 91 ? -0.45425 17.80937 -8.46611 0.842 5.86605 N ? A ? 79 N 1
   ATOM 1335 CA B ASP A 91 ? -1.57490 18.11207 -7.57499 0.842 6.02361 C ? A ? 79 CA 1
   ATOM 1336 C B ASP A 91 ? -1.90550 16.88898 -6.70723 0.842 5.69153 C ? A ? 79 C 1
   ATOM 1337 O B ASP A 91 ? -2.22135 17.06766 -5.51144 0.842 6.49359 O ? A ? 79 O 1
   ATOM 1338 CB B ASP A 91 ? -2.80200 18.57079 -8.38774 0.842 6.73789 C ? A ? 79 CB 1
   ATOM 1339 CG B ASP A 91 ? -2.86425 20.08028 -8.60788 0.842 7.06173 C ? A ? 79 CG 1
   ATOM 1340 OD1 B ASP A 91 ? -2.18204 20.84936 -7.90493 0.842 6.89986 O ? A ? 79 OD1 1
   ATOM 1341 OD2 B ASP A 91 ? -3.66008 20.47828 -9.51169 0.842 9.58754 O ? A ? 79 OD2 1
   ATOM 1342 N C ASP A 91 ? -0.41381 17.78187 -8.33752 0.158 5.49944 N ? A ? 79 N 1
   ATOM 1343 CA C ASP A 91 ? -1.52095 18.09051 -7.42780 0.158 5.83903 C ? A ? 79 CA 1
   ATOM 1344 C C ASP A 91 ? -1.79520 16.91225 -6.48866 0.158 6.28088 C ? A ? 79 C 1
   ATOM 1345 O C ASP A 91 ? -1.68272 17.04862 -5.26171 0.158 5.04153 O ? A ? 79 O 1
   ATOM 1346 CB C ASP A 91 ? -2.78480 18.53584 -8.19196 0.158 6.38355 C ? A ? 79 CB 1
   ATOM 1347 CG C ASP A 91 ? -2.65983 19.95359 -8.78469 0.158 7.78975 C ? A ? 79 CG 1
   ATOM 1348 OD1 C ASP A 91 ? -1.81119 20.71511 -8.29592 0.158 3.02422 O ? A ? 79 OD1 1
   ATOM 1349 OD2 C ASP A 91 ? -3.39344 20.31000 -9.75284 0.158 7.04184 O ? A ? 79 OD2 1
   ATOM 1350 N B ILE A 92 ? -1.85039 15.66764 -7.27131 0.842 4.64680 N ? A ? 80 N 1
   ATOM 1351 CA B ILE A 92 ? -2.09022 14.47360 -6.48429 0.842 5.64995 C ? A ? 80 CA 1
   ATOM 1352 C B ILE A 92 ? -0.94689 14.22259 -5.51427 0.842 5.71815 C ? A ? 80 C 1
   ATOM 1353 O B ILE A 92 ? -1.16871 13.88288 -4.33346 0.842 6.02294 O ? A ? 80 O 1
   ATOM 1354 CB B ILE A 92 ? -2.25429 13.28085 -7.48181 0.842 6.80469 C ? A ? 80 CB 1
   ATOM 1355 CG1 B ILE A 92 ? -3.52256 13.46672 -8.31191 0.842 8.13644 C ? A ? 80 CG1 1
   ATOM 1356 CG2 B ILE A 92 ? -2.34249 11.98105 -6.71471 0.842 7.38222 C ? A ? 80 CG2 1
   ATOM 1357 CD1 B ILE A 92 ? -3.53752 12.66748 -9.58844 0.842 7.81242 C ? A ? 80 CD1 1
   ATOM 1358 N C ILE A 92 ? -2.16535 15.74706 -7.05134 0.158 4.83783 N ? A ? 80 N 1
   ATOM 1359 CA C ILE A 92 ? -2.36928 14.54502 -6.24441 0.158 3.70005 C ? A ? 80 CA 1
   ATOM 1360 C C ILE A 92 ? -1.11511 14.21780 -5.43999 0.158 5.70742 C ? A ? 80 C 1
   ATOM 1361 O C ILE A 92 ? -1.19382 13.81823 -4.27118 0.158 5.91658 O ? A ? 80 O 1
   ATOM 1362 CB C ILE A 92 ? -2.76133 13.35304 -7.14460 0.158 5.31724 C ? A ? 80 CB 1
   ATOM 1363 CG1 C ILE A 92 ? -3.90495 13.67616 -8.12101 0.158 8.49468 C ? A ? 80 CG1 1
   ATOM 1364 CG2 C ILE A 92 ? -3.09973 12.11922 -6.29797 0.158 6.09521 C ? A ? 80 CG2 1
   ATOM 1365 CD1 C ILE A 92 ? -4.03870 12.65913 -9.28316 0.158 5.62115 C ? A ? 80 CD1 1
   ATOM 1366 N B GLY A 93 ? 0.28781 14.28826 -5.98934 0.842 5.51075 N ? A ? 81 N 1
   ATOM 1367 CA B GLY A 93 ? 1.43553 13.78819 -5.26116 0.842 6.05043 C ? A ? 81 CA 1
   ATOM 1368 C B GLY A 93 ? 1.83689 14.75246 -4.12926 0.842 5.62504 C ? A ? 81 C 1
   ATOM 1369 O B GLY A 93 ? 2.16596 14.29600 -3.02186 0.842 5.74252 O ? A ? 81 O 1
   ATOM 1370 N C GLY A 93 ? 0.05738 14.36624 -6.05004 0.158 5.52022 N ? A ? 81 N 1
   ATOM 1371 CA C GLY A 93 ? 1.30844 13.95573 -5.43994 0.158 5.19334 C ? A ? 81 CA 1
   ATOM 1372 C C GLY A 93 ? 1.66731 14.78005 -4.21077 0.158 5.39976 C ? A ? 81 C 1
   ATOM 1373 O C GLY A 93 ? 1.75363 14.24631 -3.09319 0.158 4.33544 O ? A ? 81 O 1
   ATOM 1374 N B VAL A 94 ? 1.86639 16.06039 -4.40236 0.842 5.65386 N ? A ? 82 N 1
   ATOM 1375 CA B VAL A 94 ? 2.29525 16.97477 -3.33531 0.842 5.72497 C ? A ? 82 CA 1
   ATOM 1376 C B VAL A 94 ? 1.29618 16.95691 -2.18011 0.842 5.26120 C ? A ? 82 C 1
   ATOM 1377 O B VAL A 94 ? 1.67990 17.17550 -1.01386 0.842 6.23493 O ? A ? 82 O 1
   ATOM 1378 CB B VAL A 94 ? 2.55258 18.39178 -3.92032 0.842 6.63542 C ? A ? 82 CB 1
   ATOM 1379 CG1 B VAL A 94 ? 2.78669 19.40344 -2.78663 0.842 6.59452 C ? A ? 82 CG1 1
   ATOM 1380 CG2 B VAL A 94 ? 3.76581 18.31565 -4.86077 0.842 8.04654 C ? A ? 82 CG2 1
   ATOM 1381 N C VAL A 94 ? 1.87760 16.08881 -4.40250 0.158 5.60970 N ? A ? 82 N 1
   ATOM 1382 CA C VAL A 94 ? 2.32158 16.93875 -3.29264 0.158 5.67911 C ? A ? 82 CA 1
   ATOM 1383 C C VAL A 94 ? 1.29072 16.96057 -2.16147 0.158 5.37468 C ? A ? 82 C 1
   ATOM 1384 O C VAL A 94 ? 1.64964 17.17185 -0.99593 0.158 6.17792 O ? A ? 82 O 1
   ATOM 1385 CB C VAL A 94 ? 2.74834 18.35221 -3.77853 0.158 6.14548 C ? A ? 82 CB 1
   ATOM 1386 CG1 C VAL A 94 ? 3.42760 19.16595 -2.63060 0.158 4.08380 C ? A ? 82 CG1 1
   ATOM 1387 CG2 C VAL A 94 ? 3.66497 18.23806 -5.01654 0.158 7.37735 C ? A ? 82 CG2 1
   ATOM 1388 N . ALA A 95 ? 0.01499 16.72163 -2.46894 1.000 6.02967 N ? A ? 83 N 1
   ATOM 1389 CA . ALA A 95 ? -1.01458 16.62884 -1.42250 1.000 6.59206 C ? A ? 83 CA 1
   ATOM 1390 C . ALA A 95 ? -0.73855 15.52614 -0.41751 1.000 5.70197 C ? A ? 83 C 1
   ATOM 1391 O . ALA A 95 ? -1.29777 15.56781 0.68653 1.000 8.06622 O ? A ? 83 O 1
   ATOM 1392 CB . ALA A 95 ? -2.39088 16.32431 -2.04868 1.000 7.54844 C ? A ? 83 CB 1
   ATOM 1393 N A THR A 96 ? -0.01889 14.49024 -0.79112 0.708 5.08163 N ? A ? 84 N 1
   ATOM 1394 CA A THR A 96 ? 0.26422 13.42023 0.13512 0.708 6.04845 C ? A ? 84 CA 1
   ATOM 1395 C A THR A 96 ? 1.53083 13.65074 0.97595 0.708 6.48586 C ? A ? 84 C 1
   ATOM 1396 O A THR A 96 ? 1.92102 12.75207 1.74895 0.708 5.88049 O ? A ? 84 O 1
   ATOM 1397 CB A THR A 96 ? 0.42870 12.10149 -0.64586 0.708 6.73278 C ? A ? 84 CB 1
   ATOM 1398 OG1 A THR A 96 ? 1.67822 12.08632 -1.32223 0.708 6.55809 O ? A ? 84 OG1 1
   ATOM 1399 CG2 A THR A 96 ? -0.71828 11.81091 -1.54623 0.708 6.69200 C ? A ? 84 CG2 1
   ATOM 1400 N B THR A 96 ? 0.13999 14.56294 -0.75883 0.292 5.91148 N ? A ? 84 N 1
   ATOM 1401 CA B THR A 96 ? 0.52673 13.45920 0.10932 0.292 6.09672 C ? A ? 84 CA 1
   ATOM 1402 C B THR A 96 ? 1.71381 13.77203 1.02071 0.292 6.02646 C ? A ? 84 C 1
   ATOM 1403 O B THR A 96 ? 1.99091 12.97505 1.91851 0.292 7.21771 O ? A ? 84 O 1
   ATOM 1404 CB B THR A 96 ? 0.81453 12.13889 -0.67405 0.292 5.73018 C ? A ? 84 CB 1
   ATOM 1405 OG1 B THR A 96 ? 2.06254 12.19342 -1.37892 0.292 4.26797 O ? A ? 84 OG1 1
   ATOM 1406 CG2 B THR A 96 ? -0.29723 11.77547 -1.59464 0.292 4.28101 C ? A ? 84 CG2 1
   ATOM 1407 N A MET A 97 ? 2.23756 14.76132 0.77444 0.708 6.61810 N ? A ? 85 N 1
   ATOM 1408 CA A MET A 97 ? 3.55453 14.94036 1.36948 0.708 5.71403 C ? A ? 85 CA 1
   ATOM 1409 C A MET A 97 ? 3.51586 15.69617 2.70204 0.708 6.68738 C ? A ? 85 C 1
   ATOM 1410 O A MET A 97 ? 2.72608 16.62189 2.87024 0.708 6.63626 O ? A ? 85 O 1
   ATOM 1411 CB A MET A 97 ? 4.43339 15.70345 0.40536 0.708 5.72760 C ? A ? 85 CB 1
   ATOM 1412 CG A MET A 97 ? 4.76128 14.85515 -0.84290 0.708 5.69522 C ? A ? 85 CG 1
   ATOM 1413 SD A MET A 97 ? 5.91412 15.65913 -2.01886 0.708 5.65368 S ? A ? 85 SD 1
   ATOM 1414 CE A MET A 97 ? 7.42892 15.61443 -1.02264 0.708 6.97889 C ? A ? 85 CE 1
   ATOM 1415 N B MET A 97 ? 2.41836 14.88773 0.81873 0.292 6.49060 N ? A ? 85 N 1
   ATOM 1416 CA B MET A 97 ? 3.72613 15.12191 1.42890 0.292 6.24669 C ? A ? 85 CA 1
   ATOM 1417 C B MET A 97 ? 3.63317 15.96474 2.69306 0.292 5.26149 C ? A ? 85 C 1
   ATOM 1418 O B MET A 97 ? 2.88832 16.93838 2.74130 0.292 7.04945 O ? A ? 85 O 1
   ATOM 1419 CB B MET A 97 ? 4.64715 15.85494 0.47002 0.292 6.25253 C ? A ? 85 CB 1
   ATOM 1420 CG B MET A 97 ? 4.88773 15.11359 -0.77596 0.292 5.64467 C ? A ? 85 CG 1
   ATOM 1421 SD B MET A 97 ? 5.89712 16.08906 -1.88226 0.292 6.17472 S ? A ? 85 SD 1
   ATOM 1422 CE B MET A 97 ? 7.55392 15.90386 -1.19071 0.292 6.07881 C ? A ? 85 CE 1
   ATOM 1423 N A LYS A 98 ? 4.31415 15.23566 3.69022 0.708 6.72674 N ? A ? 86 N 1
   ATOM 1424 CA A LYS A 98 ? 4.51426 15.99863 4.92488 0.708 5.94810 C ? A ? 86 CA 1
   ATOM 1425 C A LYS A 98 ? 5.55584 17.08754 4.73864 0.708 6.69089 C ? A ? 86 C 1
   ATOM 1426 O A LYS A 98 ? 6.44613 17.00121 3.88342 0.708 7.74395 O ? A ? 86 O 1
   ATOM 1427 CB A LYS A 98 ? 5.02963 15.05558 5.97769 0.708 7.15807 C ? A ? 86 CB 1
   ATOM 1428 CG A LYS A 98 ? 3.97761 13.99945 6.36410 0.708 11.41124 C ? A ? 86 CG 1
   ATOM 1429 CD A LYS A 98 ? 4.42089 13.16865 7.51025 0.708 13.49619 C ? A ? 86 CD 1
   ATOM 1430 CE A LYS A 98 ? 3.45792 12.00631 7.80819 0.708 16.66459 C ? A ? 86 CE 1
   ATOM 1431 NZ A LYS A 98 ? 3.43072 10.95788 6.72771 0.708 20.10145 N ? A ? 86 NZ 1
   ATOM 1432 N B LYS A 98 ? 4.43113 15.61372 3.69163 0.292 4.88671 N ? A ? 86 N 1
   ATOM 1433 CA B LYS A 98 ? 4.56889 16.42486 4.89314 0.292 5.48092 C ? A ? 86 CA 1
   ATOM 1434 C B LYS A 98 ? 5.65437 17.47189 4.65300 0.292 7.36695 C ? A ? 86 C 1
   ATOM 1435 O B LYS A 98 ? 6.47450 17.33207 3.73154 0.292 5.75927 O ? A ? 86 O 1
   ATOM 1436 CB B LYS A 98 ? 4.93921 15.56001 6.12199 0.292 5.67302 C ? A ? 86 CB 1
   ATOM 1437 CG B LYS A 98 ? 4.10451 14.25940 6.36665 0.292 9.79676 C ? A ? 86 CG 1
   ATOM 1438 CD B LYS A 98 ? 4.80297 13.12202 7.16706 0.292 14.26017 C ? A ? 86 CD 1
   ATOM 1439 CE B LYS A 98 ? 3.81718 11.96682 7.40122 0.292 19.43481 C ? A ? 86 CE 1
   ATOM 1440 NZ B LYS A 98 ? 2.44029 12.43158 7.78221 0.292 16.77105 N ? A ? 86 NZ 1
   ATOM 1441 N A LYS A 99 ? 5.49484 18.10944 5.61123 0.708 8.33469 N ? A ? 87 N 1
   ATOM 1442 CA A LYS A 99 ? 6.52782 19.13294 5.58852 0.708 6.36319 C ? A ? 87 CA 1
   ATOM 1443 C A LYS A 99 ? 7.90217 18.52912 5.80192 0.708 5.79931 C ? A ? 87 C 1
   ATOM 1444 O A LYS A 99 ? 8.10054 17.72255 6.69520 0.708 7.70390 O ? A ? 87 O 1
   ATOM 1445 CB A LYS A 99 ? 6.27186 20.23124 6.62374 0.708 9.13388 C ? A ? 87 CB 1
   ATOM 1446 CG A LYS A 99 ? 7.30235 21.35048 6.48144 0.708 10.25446 C ? A ? 87 CG 1
   ATOM 1447 CD A LYS A 99 ? 7.12962 22.42303 7.56845 0.708 18.43967 C ? A ? 87 CD 1
   ATOM 1448 CE A LYS A 99 ? 5.81521 23.07435 7.45503 0.708 20.01619 C ? A ? 87 CE 1
   ATOM 1449 NZ A LYS A 99 ? 5.89006 23.96021 8.64038 0.708 38.52653 N ? A ? 87 NZ 1
   ATOM 1450 N B LYS A 99 ? 5.64204 18.54387 5.45537 0.292 6.62208 N ? A ? 87 N 1
   ATOM 1451 CA B LYS A 99 ? 6.68619 19.54834 5.29737 0.292 4.54993 C ? A ? 87 CA 1
   ATOM 1452 C B LYS A 99 ? 8.00532 18.88321 5.68206 0.292 6.15785 C ? A ? 87 C 1
   ATOM 1453 O B LYS A 99 ? 8.06428 18.16829 6.68180 0.292 7.39156 O ? A ? 87 O 1
   ATOM 1454 CB B LYS A 99 ? 6.37301 20.72985 6.20872 0.292 6.31346 C ? A ? 87 CB 1
   ATOM 1455 CG B LYS A 99 ? 7.17420 21.95660 5.90855 0.292 7.12458 C ? A ? 87 CG 1
   ATOM 1456 CD B LYS A 99 ? 6.73895 23.10156 6.78539 0.292 8.35098 C ? A ? 87 CD 1
   ATOM 1457 CE B LYS A 99 ? 7.59022 23.26020 7.97107 0.292 12.87016 C ? A ? 87 CE 1
   ATOM 1458 NZ B LYS A 99 ? 7.04228 24.37141 8.81077 0.292 7.85677 N ? A ? 87 NZ 1
   ATOM 1459 N A GLY A 100 ? 8.87338 18.93506 4.95779 0.708 7.37114 N ? A ? 88 N 1
   ATOM 1460 CA A GLY A 100 ? 10.23537 18.45783 5.00675 0.708 7.44137 C ? A ? 88 CA 1
   ATOM 1461 C A GLY A 100 ? 10.43187 17.14139 4.26341 0.708 8.06220 C ? A ? 88 C 1
   ATOM 1462 O A GLY A 100 ? 11.57344 16.67183 4.13570 0.708 8.45605 O ? A ? 88 O 1
   ATOM 1463 N B GLY A 100 ? 9.05858 19.03045 4.86169 0.292 6.23897 N ? A ? 88 N 1
   ATOM 1464 CA B GLY A 100 ? 10.30135 18.31163 5.11931 0.292 7.72422 C ? A ? 88 CA 1
   ATOM 1465 C B GLY A 100 ? 10.47288 16.98603 4.38750 0.292 8.24859 C ? A ? 88 C 1
   ATOM 1466 O B GLY A 100 ? 11.54945 16.39415 4.43345 0.292 6.72987 O ? A ? 88 O 1
   ATOM 1467 N A GLU A 101 ? 9.34410 16.49405 3.83323 0.708 5.58525 N ? A ? 89 N 1
   ATOM 1468 CA A GLU A 101 ? 9.42762 15.23419 3.08407 0.708 6.74420 C ? A ? 89 CA 1
   ATOM 1469 C A GLU A 101 ? 10.08342 15.43201 1.73364 0.708 4.85746 C ? A ? 89 C 1
   ATOM 1470 O A GLU A 101 ? 9.87261 16.41952 1.06168 0.708 5.08307 O ? A ? 89 O 1
   ATOM 1471 CB A GLU A 101 ? 8.03536 14.64109 2.90770 0.708 6.34238 C ? A ? 89 CB 1
   ATOM 1472 CG A GLU A 101 ? 7.92607 13.38344 2.07379 0.708 6.17845 C ? A ? 89 CG 1
   ATOM 1473 CD A GLU A 101 ? 6.51745 12.87326 2.01823 0.708 7.25947 C ? A ? 89 CD 1
   ATOM 1474 OE1 A GLU A 101 ? 5.86381 12.91642 3.11351 0.708 6.94676 O ? A ? 89 OE1 1
   ATOM 1475 OE2 A GLU A 101 ? 6.07980 12.38656 0.93962 0.708 7.16088 O ? A ? 89 OE2 1
   ATOM 1476 N B GLU A 101 ? 9.45345 16.47731 3.73776 0.292 5.85521 N ? A ? 89 N 1
   ATOM 1477 CA B GLU A 101 ? 9.62399 15.23701 2.99821 0.292 6.74228 C ? A ? 89 CA 1
   ATOM 1478 C B GLU A 101 ? 10.39435 15.44622 1.68561 0.292 4.70276 C ? A ? 89 C 1
   ATOM 1479 O B GLU A 101 ? 10.30254 16.49044 1.05139 0.292 5.64213 O ? A ? 89 O 1
   ATOM 1480 CB B GLU A 101 ? 8.24312 14.68509 2.71536 0.292 6.10259 C ? A ? 89 CB 1
   ATOM 1481 CG B GLU A 101 ? 8.27300 13.25694 2.22292 0.292 6.27163 C ? A ? 89 CG 1
   ATOM 1482 CD B GLU A 101 ? 6.89413 12.65363 2.07273 0.292 5.23805 C ? A ? 89 CD 1
   ATOM 1483 OE1 B GLU A 101 ? 6.13965 12.61687 3.08703 0.292 7.85704 O ? A ? 89 OE1 1
   ATOM 1484 OE2 B GLU A 101 ? 6.56400 12.22358 0.93873 0.292 5.20259 O ? A ? 89 OE2 1
   ATOM 1485 N A ILE A 102 ? 10.86482 14.42884 1.33778 0.708 5.25597 N ? A ? 90 N 1
   ATOM 1486 CA A ILE A 102 ? 11.32775 14.25833 -0.02764 0.708 5.08168 C ? A ? 90 CA 1
   ATOM 1487 C A ILE A 102 ? 10.72301 12.98612 -0.55982 0.708 5.74795 C ? A ? 90 C 1
   ATOM 1488 O A ILE A 102 ? 10.74551 11.95314 0.12045 0.708 5.36031 O ? A ? 90 O 1
   ATOM 1489 CB A ILE A 102 ? 12.85269 14.22516 -0.17289 0.708 5.03290 C ? A ? 90 CB 1
   ATOM 1490 CG1 A ILE A 102 ? 13.47629 15.49022 0.43895 0.708 7.32673 C ? A ? 90 CG1 1
   ATOM 1491 CG2 A ILE A 102 ? 13.24182 14.09937 -1.68241 0.708 7.39299 C ? A ? 90 CG2 1
   ATOM 1492 CD1 A ILE A 102 ? 14.95346 15.51086 0.38330 0.708 9.20576 C ? A ? 90 CD1 1
   ATOM 1493 N B ILE A 102 ? 11.16231 14.43005 1.28102 0.292 5.17531 N ? A ? 90 N 1
   ATOM 1494 CA B ILE A 102 ? 11.61054 14.27278 -0.10716 0.292 4.26577 C ? A ? 90 CA 1
   ATOM 1495 C B ILE A 102 ? 10.96922 12.98433 -0.63300 0.292 5.50493 C ? A ? 90 C 1
   ATOM 1496 O B ILE A 102 ? 11.17479 11.92685 -0.01982 0.292 4.46162 O ? A ? 90 O 1
   ATOM 1497 CB B ILE A 102 ? 13.14772 14.22778 -0.24411 0.292 5.54214 C ? A ? 90 CB 1
   ATOM 1498 CG1 B ILE A 102 ? 13.82540 15.49166 0.32705 0.292 5.03413 C ? A ? 90 CG1 1
   ATOM 1499 CG2 B ILE A 102 ? 13.53950 14.02112 -1.74376 0.292 7.05247 C ? A ? 90 CG2 1
   ATOM 1500 CD1 B ILE A 102 ? 15.31958 15.33921 0.51279 0.292 9.40879 C ? A ? 90 CD1 1
   ATOM 1501 N . ALA A 103 ? 10.17423 13.05833 -1.74455 1.000 5.59560 N ? A ? 91 N 1
   ATOM 1502 CA . ALA A 103 ? 9.55780 11.90500 -2.36215 1.000 6.34990 C ? A ? 91 CA 1
   ATOM 1503 C . ALA A 103 ? 9.96676 11.76268 -3.82157 1.000 5.27352 C ? A ? 91 C 1
   ATOM 1504 O . ALA A 103 ? 10.21400 12.75372 -4.51670 1.000 5.75631 O ? A ? 91 O 1
   ATOM 1505 CB . ALA A 103 ? 8.08430 12.01187 -2.28268 1.000 8.70676 C ? A ? 91 CB 1
   ATOM 1506 N A HIS A 104 ? 10.15845 10.49882 -4.24311 0.317 4.57417 N ? A ? 92 N 1
   ATOM 1507 CA A HIS A 104 ? 10.29223 10.08841 -5.63666 0.317 6.89036 C ? A ? 92 CA 1
   ATOM 1508 C A HIS A 104 ? 8.90916 9.91729 -6.21670 0.317 4.95692 C ? A ? 92 C 1
   ATOM 1509 O A HIS A 104 ? 8.03889 9.28005 -5.60407 0.317 8.47521 O ? A ? 92 O 1
   ATOM 1510 CB A HIS A 104 ? 10.84937 8.66077 -5.72408 0.317 7.68190 C ? A ? 92 CB 1
   ATOM 1511 CG A HIS A 104 ? 12.17457 8.43766 -5.08413 0.317 4.15760 C ? A ? 92 CG 1
   ATOM 1512 ND1 A HIS A 104 ? 13.36618 8.91561 -5.59631 0.317 6.21794 N ? A ? 92 ND1 1
   ATOM 1513 CD2 A HIS A 104 ? 12.49368 7.71321 -3.99242 0.317 5.82005 C ? A ? 92 CD2 1
   ATOM 1514 CE1 A HIS A 104 ? 14.35079 8.55407 -4.78556 0.317 8.65771 C ? A ? 92 CE1 1
   ATOM 1515 NE2 A HIS A 104 ? 13.84914 7.81368 -3.81378 0.317 5.30346 N ? A ? 92 NE2 1
   ATOM 1516 N B HIS A 104 ? 9.86800 10.54114 -4.29204 0.683 5.32751 N ? A ? 92 N 1
   ATOM 1517 CA B HIS A 104 ? 9.97986 10.23629 -5.72412 0.683 6.13085 C ? A ? 92 CA 1
   ATOM 1518 C B HIS A 104 ? 8.58481 9.92123 -6.25322 0.683 5.10566 C ? A ? 92 C 1
   ATOM 1519 O B HIS A 104 ? 7.81886 9.15377 -5.62309 0.683 6.79829 O ? A ? 92 O 1
   ATOM 1520 CB B HIS A 104 ? 10.88326 9.02365 -5.96620 0.683 6.77455 C ? A ? 92 CB 1
   ATOM 1521 CG B HIS A 104 ? 12.34964 9.21597 -5.70154 0.683 7.62358 C ? A ? 92 CG 1
   ATOM 1522 ND1 B HIS A 104 ? 13.11001 10.19627 -6.29427 0.683 19.55792 N ? A ? 92 ND1 1
   ATOM 1523 CD2 B HIS A 104 ? 13.23143 8.37742 -5.10408 0.683 10.68758 C ? A ? 92 CD2 1
   ATOM 1524 CE1 B HIS A 104 ? 14.38038 10.03538 -5.96158 0.683 12.72144 C ? A ? 92 CE1 1
   ATOM 1525 NE2 B HIS A 104 ? 14.48365 8.92586 -5.25534 0.683 12.06546 N ? A ? 92 NE2 1
   ATOM 1526 N A LEU A 105 ? 8.72920 10.39069 -7.44901 0.317 5.24597 N ? A ? 93 N 1
   ATOM 1527 CA A LEU A 105 ? 7.48578 10.15357 -8.14321 0.317 4.22267 C ? A ? 93 CA 1
   ATOM 1528 C A LEU A 105 ? 7.79809 9.60429 -9.53701 0.317 5.18154 C ? A ? 93 C 1
   ATOM 1529 O A LEU A 105 ? 8.64861 10.14844 -10.24742 0.317 6.83058 O ? A ? 93 O 1
   ATOM 1530 CB A LEU A 105 ? 6.76791 11.50424 -8.34329 0.317 4.19810 C ? A ? 93 CB 1
   ATOM 1531 CG A LEU A 105 ? 5.91097 12.12108 -7.23253 0.317 7.31178 C ? A ? 93 CG 1
   ATOM 1532 CD1 A LEU A 105 ? 5.10239 13.27646 -7.85127 0.317 5.47792 C ? A ? 93 CD1 1
   ATOM 1533 CD2 A LEU A 105 ? 4.95655 11.15903 -6.55801 0.317 5.53613 C ? A ? 93 CD2 1
   ATOM 1534 N B LEU A 105 ? 8.27937 10.47534 -7.44317 0.683 5.58575 N ? A ? 93 N 1
   ATOM 1535 CA B LEU A 105 ? 7.04447 10.16702 -8.14625 0.683 6.17282 C ? A ? 93 CA 1
   ATOM 1536 C B LEU A 105 ? 7.37698 9.68111 -9.56676 0.683 5.11523 C ? A ? 93 C 1
   ATOM 1537 O B LEU A 105 ? 8.12169 10.36677 -10.31599 0.683 5.36327 O ? A ? 93 O 1
   ATOM 1538 CB B LEU A 105 ? 6.10515 11.40642 -8.28313 0.683 5.23703 C ? A ? 93 CB 1
   ATOM 1539 CG B LEU A 105 ? 5.69665 12.01614 -6.96861 0.683 7.15766 C ? A ? 93 CG 1
   ATOM 1540 CD1 B LEU A 105 ? 4.83653 13.24406 -7.30598 0.683 6.93092 C ? A ? 93 CD1 1
   ATOM 1541 CD2 B LEU A 105 ? 4.92182 11.05735 -6.10532 0.683 8.38926 C ? A ? 93 CD2 1
   ATOM 1542 N A LEU A 106 ? 7.10851 8.53824 -9.93249 0.317 4.24962 N ? A ? 94 N 1
   ATOM 1543 CA A LEU A 106 ? 7.14945 7.98947 -11.27300 0.317 6.80808 C ? A ? 94 CA 1
   ATOM 1544 C A LEU A 106 ? 5.77233 8.20374 -11.89467 0.317 4.35246 C ? A ? 94 C 1
   ATOM 1545 O A LEU A 106 ? 4.75864 7.77479 -11.32675 0.317 6.32434 O ? A ? 94 O 1
   ATOM 1546 CB A LEU A 106 ? 7.48814 6.50985 -11.15877 0.317 4.25056 C ? A ? 94 CB 1
   ATOM 1547 CG A LEU A 106 ? 7.64271 5.80384 -12.47744 0.317 4.32521 C ? A ? 94 CG 1
   ATOM 1548 CD1 A LEU A 106 ? 8.72314 6.40289 -13.35282 0.317 7.21278 C ? A ? 94 CD1 1
   ATOM 1549 CD2 A LEU A 106 ? 7.94101 4.35039 -12.16903 0.317 5.37957 C ? A ? 94 CD2 1
   ATOM 1550 N B LEU A 106 ? 6.75602 8.58014 -9.98785 0.683 5.64762 N ? A ? 94 N 1
   ATOM 1551 CA B LEU A 106 ? 6.80283 8.05978 -11.35376 0.683 5.17256 C ? A ? 94 CA 1
   ATOM 1552 C B LEU A 106 ? 5.40124 8.14709 -11.93551 0.683 6.08087 C ? A ? 94 C 1
   ATOM 1553 O B LEU A 106 ? 4.42562 7.67183 -11.32345 0.683 6.05569 O ? A ? 94 O 1
   ATOM 1554 CB B LEU A 106 ? 7.29409 6.59930 -11.37774 0.683 5.85317 C ? A ? 94 CB 1
   ATOM 1555 CG B LEU A 106 ? 7.38833 5.97604 -12.79426 0.683 8.14410 C ? A ? 94 CG 1
   ATOM 1556 CD1 B LEU A 106 ? 8.51090 6.58103 -13.51272 0.683 7.63673 C ? A ? 94 CD1 1
   ATOM 1557 CD2 B LEU A 106 ? 7.62801 4.50778 -12.69604 0.683 8.27950 C ? A ? 94 CD2 1
   ATOM 1558 N A ILE A 107 ? 5.73014 8.83910 -13.07966 0.317 4.32022 N ? A ? 95 N 1
   ATOM 1559 CA A ILE A 107 ? 4.49243 9.38460 -13.64317 0.317 6.48436 C ? A ? 95 CA 1
   ATOM 1560 C A ILE A 107 ? 4.26725 8.85482 -15.05958 0.317 4.12443 C ? A ? 95 C 1
   ATOM 1561 O A ILE A 107 ? 5.01191 9.22758 -15.97481 0.317 4.23105 O ? A ? 95 O 1
   ATOM 1562 CB A ILE A 107 ? 4.55920 10.93014 -13.68969 0.317 4.03345 C ? A ? 95 CB 1
   ATOM 1563 CG1 A ILE A 107 ? 4.80728 11.49502 -12.29440 0.317 5.17244 C ? A ? 95 CG1 1
   ATOM 1564 CG2 A ILE A 107 ? 3.29950 11.51165 -14.22641 0.317 4.34627 C ? A ? 95 CG2 1
   ATOM 1565 CD1 A ILE A 107 ? 5.35508 12.87202 -12.38135 0.317 5.20959 C ? A ? 95 CD1 1
   ATOM 1566 N B ILE A 107 ? 5.28801 8.75343 -13.12625 0.683 5.23794 N ? A ? 95 N 1
   ATOM 1567 CA B ILE A 107 ? 4.02179 9.29762 -13.56485 0.683 5.84298 C ? A ? 95 CA 1
   ATOM 1568 C B ILE A 107 ? 3.74437 8.87233 -15.01749 0.683 5.88468 C ? A ? 95 C 1
   ATOM 1569 O B ILE A 107 ? 4.52522 9.20649 -15.92034 0.683 6.43070 O ? A ? 95 O 1
   ATOM 1570 CB B ILE A 107 ? 4.07936 10.84716 -13.48759 0.683 5.14006 C ? A ? 95 CB 1
   ATOM 1571 CG1 B ILE A 107 ? 4.36433 11.30608 -12.03684 0.683 4.77406 C ? A ? 95 CG1 1
   ATOM 1572 CG2 B ILE A 107 ? 2.81988 11.46279 -14.07156 0.683 6.13075 C ? A ? 95 CG2 1
   ATOM 1573 CD1 B ILE A 107 ? 4.90055 12.73878 -11.94754 0.683 6.86267 C ? A ? 95 CD1 1
   ATOM 1574 N A LYS A 108 ? 3.14331 8.15036 -15.26398 0.317 4.08683 N ? A ? 96 N 1
   ATOM 1575 CA A LYS A 108 ? 2.70481 7.75756 -16.60299 0.317 5.45310 C ? A ? 96 CA 1
   ATOM 1576 C A LYS A 108 ? 2.30941 9.00264 -17.39441 0.317 4.49505 C ? A ? 96 C 1
   ATOM 1577 O A LYS A 108 ? 2.01220 10.05820 -16.82710 0.317 5.99725 O ? A ? 96 O 1
   ATOM 1578 CB A LYS A 108 ? 1.45854 6.86127 -16.54938 0.317 6.43942 C ? A ? 96 CB 1
   ATOM 1579 CG A LYS A 108 ? 1.60243 5.50428 -15.82170 0.317 7.49953 C ? A ? 96 CG 1
   ATOM 1580 CD A LYS A 108 ? 0.36087 4.63531 -16.00338 0.317 9.06375 C ? A ? 96 CD 1
   ATOM 1581 CE A LYS A 108 ? 0.66381 3.19660 -15.57950 0.317 5.69867 C ? A ? 96 CE 1
   ATOM 1582 NZ A LYS A 108 ? -0.55735 2.33610 -15.69817 0.317 5.21462 N ? A ? 96 NZ 1
   ATOM 1583 N B LYS A 108 ? 2.60259 8.20332 -15.22349 0.683 5.32537 N ? A ? 96 N 1
   ATOM 1584 CA B LYS A 108 ? 2.15069 7.86671 -16.56152 0.683 5.10575 C ? A ? 96 CA 1
   ATOM 1585 C B LYS A 108 ? 1.73804 9.11034 -17.35165 0.683 6.08639 C ? A ? 96 C 1
   ATOM 1586 O B LYS A 108 ? 1.34954 10.11839 -16.74724 0.683 4.60773 O ? A ? 96 O 1
   ATOM 1587 CB B LYS A 108 ? 0.95471 6.91403 -16.48632 0.683 7.59220 C ? A ? 96 CB 1
   ATOM 1588 CG B LYS A 108 ? 1.31045 5.45484 -16.10661 0.683 7.58243 C ? A ? 96 CG 1
   ATOM 1589 CD B LYS A 108 ? 0.01391 4.64648 -16.15418 0.683 8.37704 C ? A ? 96 CD 1
   ATOM 1590 CE B LYS A 108 ? 0.26830 3.18018 -15.75591 0.683 9.82614 C ? A ? 96 CE 1
   ATOM 1591 NZ B LYS A 108 ? -1.03847 2.39495 -15.90484 0.683 7.21337 N ? A ? 96 NZ 1
   ATOM 1592 N A PRO A 109 ? 2.28673 8.91339 -18.72126 0.317 8.40014 N ? A ? 97 N 1
   ATOM 1593 CA A PRO A 109 ? 2.04790 10.12083 -19.51665 0.317 6.99938 C ? A ? 97 CA 1
   ATOM 1594 C A PRO A 109 ? 0.71661 10.79985 -19.27085 0.317 6.01932 C ? A ? 97 C 1
   ATOM 1595 O A PRO A 109 ? 0.63617 12.03023 -19.40649 0.317 5.17949 O ? A ? 97 O 1
   ATOM 1596 CB A PRO A 109 ? 2.12283 9.57110 -20.94406 0.317 5.37996 C ? A ? 97 CB 1
   ATOM 1597 CG A PRO A 109 ? 3.04298 8.52289 -20.87083 0.317 5.28879 C ? A ? 97 CG 1
   ATOM 1598 CD A PRO A 109 ? 2.76431 7.79147 -19.55229 0.317 5.66963 C ? A ? 97 CD 1
   ATOM 1599 N B PRO A 109 ? 1.77668 9.05681 -18.71008 0.683 5.57661 N ? A ? 97 N 1
   ATOM 1600 CA B PRO A 109 ? 1.48674 10.26679 -19.47675 0.683 5.66917 C ? A ? 97 CA 1
   ATOM 1601 C B PRO A 109 ? 0.12768 10.88819 -19.19506 0.683 5.79146 C ? A ? 97 C 1
   ATOM 1602 O B PRO A 109 ? -0.01406 12.11798 -19.31446 0.683 5.78739 O ? A ? 97 O 1
   ATOM 1603 CB B PRO A 109 ? 1.63342 9.79977 -20.94828 0.683 8.02075 C ? A ? 97 CB 1
   ATOM 1604 CG B PRO A 109 ? 1.96575 8.41015 -20.96284 0.683 10.02702 C ? A ? 97 CG 1
   ATOM 1605 CD B PRO A 109 ? 2.19760 7.92507 -19.58434 0.683 8.03514 C ? A ? 97 CD 1
   ATOM 1606 N A GLU A 110 ? -0.34351 10.04576 -18.97187 0.317 5.05902 N ? A ? 98 N 1
   ATOM 1607 CA A GLU A 110 ? -1.68359 10.63145 -18.89429 0.317 6.08054 C ? A ? 98 CA 1
   ATOM 1608 C A GLU A 110 ? -1.88925 11.51463 -17.65634 0.317 5.11819 C ? A ? 98 C 1
   ATOM 1609 O A GLU A 110 ? -2.83815 12.31447 -17.62627 0.317 6.52955 O ? A ? 98 O 1
   ATOM 1610 CB A GLU A 110 ? -2.73746 9.52406 -18.94390 0.317 12.27045 C ? A ? 98 CB 1
   ATOM 1611 CG A GLU A 110 ? -2.39918 8.36391 -18.04471 0.317 15.90720 C ? A ? 98 CG 1
   ATOM 1612 CD A GLU A 110 ? -3.45442 7.29120 -18.08667 0.317 16.94810 C ? A ? 98 CD 1
   ATOM 1613 OE1 A GLU A 110 ? -4.64161 7.64942 -18.18654 0.317 24.52138 O ? A ? 98 OE1 1
   ATOM 1614 OE2 A GLU A 110 ? -3.11368 6.09218 -18.01412 0.317 7.30444 O ? A ? 98 OE2 1
   ATOM 1615 N B GLU A 110 ? -0.88558 10.08634 -18.88949 0.683 5.76887 N ? A ? 98 N 1
   ATOM 1616 CA B GLU A 110 ? -2.18702 10.67949 -18.65889 0.683 6.89742 C ? A ? 98 CA 1
   ATOM 1617 C B GLU A 110 ? -2.22258 11.53278 -17.41184 0.683 7.05179 C ? A ? 98 C 1
   ATOM 1618 O B GLU A 110 ? -3.25386 12.16362 -17.19522 0.683 9.08650 O ? A ? 98 O 1
   ATOM 1619 CB B GLU A 110 ? -3.29386 9.60795 -18.60220 0.683 8.66418 C ? A ? 98 CB 1
   ATOM 1620 CG B GLU A 110 ? -3.14889 8.47017 -17.66341 0.683 8.82572 C ? A ? 98 CG 1
   ATOM 1621 CD B GLU A 110 ? -2.31189 7.26095 -18.12526 0.683 7.11566 C ? A ? 98 CD 1
   ATOM 1622 OE1 B GLU A 110 ? -1.33270 7.32343 -18.88940 0.683 7.78639 O ? A ? 98 OE1 1
   ATOM 1623 OE2 B GLU A 110 ? -2.62245 6.19987 -17.48870 0.683 13.22360 O ? A ? 98 OE2 1
   ATOM 1624 N A TYR A 111 ? -1.04062 11.39896 -16.64486 0.317 6.91785 N ? A ? 99 N 1
   ATOM 1625 CA A TYR A 111 ? -1.12069 12.25778 -15.46587 0.317 5.46655 C ? A ? 99 CA 1
   ATOM 1626 C A TYR A 111 ? -0.29146 13.49929 -15.61943 0.317 5.02957 C ? A ? 99 C 1
   ATOM 1627 O A TYR A 111 ? -0.13137 14.27188 -14.67778 0.317 5.42643 O ? A ? 99 O 1
   ATOM 1628 CB A TYR A 111 ? -0.69009 11.48495 -14.21817 0.317 6.02784 C ? A ? 99 CB 1
   ATOM 1629 CG A TYR A 111 ? -1.80340 10.60829 -13.79382 0.317 5.53455 C ? A ? 99 CG 1
   ATOM 1630 CD1 A TYR A 111 ? -1.92118 9.32660 -14.32172 0.317 6.78529 C ? A ? 99 CD1 1
   ATOM 1631 CD2 A TYR A 111 ? -2.80488 11.07509 -12.95601 0.317 6.53817 C ? A ? 99 CD2 1
   ATOM 1632 CE1 A TYR A 111 ? -2.97347 8.52935 -13.98852 0.317 7.06213 C ? A ? 99 CE1 1
   ATOM 1633 CE2 A TYR A 111 ? -3.85957 10.27563 -12.62738 0.317 6.07928 C ? A ? 99 CE2 1
   ATOM 1634 CZ A TYR A 111 ? -3.93126 9.00240 -13.15377 0.317 7.04047 C ? A ? 99 CZ 1
   ATOM 1635 OH A TYR A 111 ? -4.99359 8.22234 -12.78271 0.317 7.89951 O ? A ? 99 OH 1
   ATOM 1636 N B TYR A 111 ? -1.17013 11.52275 -16.59165 0.683 6.47333 N ? A ? 99 N 1
   ATOM 1637 CA B TYR A 111 ? -1.02133 12.41174 -15.44068 0.683 5.85472 C ? A ? 99 CA 1
   ATOM 1638 C B TYR A 111 ? 0.12094 13.43149 -15.63433 0.683 5.32284 C ? A ? 99 C 1
   ATOM 1639 O B TYR A 111 ? 0.48273 14.16920 -14.70339 0.683 5.63471 O ? A ? 99 O 1
   ATOM 1640 CB B TYR A 111 ? -0.87470 11.59424 -14.14512 0.683 6.30211 C ? A ? 99 CB 1
   ATOM 1641 CG B TYR A 111 ? -2.06720 10.70080 -13.81481 0.683 5.73446 C ? A ? 99 CG 1
   ATOM 1642 CD1 B TYR A 111 ? -3.15680 11.15293 -13.10778 0.683 9.05675 C ? A ? 99 CD1 1
   ATOM 1643 CD2 B TYR A 111 ? -2.10663 9.38192 -14.30254 0.683 6.87615 C ? A ? 99 CD2 1
   ATOM 1644 CE1 B TYR A 111 ? -4.24237 10.31514 -12.84787 0.683 6.40717 C ? A ? 99 CE1 1
   ATOM 1645 CE2 B TYR A 111 ? -3.18756 8.54670 -14.05048 0.683 7.04681 C ? A ? 99 CE2 1
   ATOM 1646 CZ B TYR A 111 ? -4.24063 9.01042 -13.34933 0.683 6.04533 C ? A ? 99 CZ 1
   ATOM 1647 OH B TYR A 111 ? -5.34275 8.23336 -13.07270 0.683 6.70995 O ? A ? 99 OH 1
   ATOM 1648 N A ALA A 112 ? 0.22058 13.68943 -16.82934 0.317 4.16156 N ? A ? 100 N 1
   ATOM 1649 CA A ALA A 112 ? 1.16576 14.72663 -17.18355 0.317 6.16339 C ? A ? 100 CA 1
   ATOM 1650 C A ALA A 112 ? 0.72756 15.35914 -18.49057 0.317 4.71720 C ? A ? 100 C 1
   ATOM 1651 O A ALA A 112 ? -0.28477 16.05469 -18.48788 0.317 6.46297 O ? A ? 100 O 1
   ATOM 1652 CB A ALA A 112 ? 2.58327 14.15323 -17.21118 0.317 4.60137 C ? A ? 100 CB 1
   ATOM 1653 N B ALA A 112 ? 0.61121 13.54255 -16.88078 0.683 6.63545 N ? A ? 100 N 1
   ATOM 1654 CA B ALA A 112 ? 1.66278 14.46590 -17.23504 0.683 5.18111 C ? A ? 100 CA 1
   ATOM 1655 C B ALA A 112 ? 1.27869 15.22228 -18.50953 0.683 4.88681 C ? A ? 100 C 1
   ATOM 1656 O B ALA A 112 ? 0.32579 16.00531 -18.43753 0.683 6.92637 O ? A ? 100 O 1
   ATOM 1657 CB B ALA A 112 ? 2.97578 13.72349 -17.30234 0.683 5.78200 C ? A ? 100 CB 1
   ATOM 1658 N A TYR A 113 ? 1.44886 15.11546 -19.59029 0.317 4.83321 N ? A ? 101 N 1
   ATOM 1659 CA A TYR A 113 ? 1.25181 15.86918 -20.81911 0.317 5.05182 C ? A ? 101 CA 1
   ATOM 1660 C A TYR A 113 ? 0.61347 15.02254 -21.86367 0.317 7.49103 C ? A ? 101 C 1
   ATOM 1661 O A TYR A 113 ? 0.19013 15.54879 -22.90985 0.317 6.11607 O ? A ? 101 O 1
   ATOM 1662 CB A TYR A 113 ? 2.59213 16.34945 -21.37945 0.317 4.22111 C ? A ? 101 CB 1
   ATOM 1663 CG A TYR A 113 ? 3.26117 17.31934 -20.49216 0.317 5.40298 C ? A ? 101 CG 1
   ATOM 1664 CD1 A TYR A 113 ? 3.96248 16.86961 -19.37539 0.317 6.43612 C ? A ? 101 CD1 1
   ATOM 1665 CD2 A TYR A 113 ? 3.16005 18.68832 -20.70530 0.317 6.74721 C ? A ? 101 CD2 1
   ATOM 1666 CE1 A TYR A 113 ? 4.57097 17.75588 -18.49573 0.317 4.31921 C ? A ? 101 CE1 1
   ATOM 1667 CE2 A TYR A 113 ? 3.76351 19.59925 -19.83516 0.317 6.47789 C ? A ? 101 CE2 1
   ATOM 1668 CZ A TYR A 113 ? 4.47689 19.12585 -18.73000 0.317 5.62043 C ? A ? 101 CZ 1
   ATOM 1669 OH A TYR A 113 ? 5.09360 20.01552 -17.83089 0.317 6.27582 O ? A ? 101 OH 1
   ATOM 1670 N B TYR A 113 ? 1.99380 15.01677 -19.61822 0.683 5.07049 N ? A ? 101 N 1
   ATOM 1671 CA B TYR A 113 ? 1.76393 15.77309 -20.84525 0.683 5.47955 C ? A ? 101 CA 1
   ATOM 1672 C B TYR A 113 ? 1.02911 14.96429 -21.91437 0.683 5.53790 C ? A ? 101 C 1
   ATOM 1673 O B TYR A 113 ? 0.81414 15.50825 -23.03060 0.683 6.35519 O ? A ? 101 O 1
   ATOM 1674 CB B TYR A 113 ? 3.06306 16.38896 -21.40283 0.683 6.96547 C ? A ? 101 CB 1
   ATOM 1675 CG B TYR A 113 ? 3.75583 17.38054 -20.49129 0.683 6.61074 C ? A ? 101 CG 1
   ATOM 1676 CD1 B TYR A 113 ? 4.56140 16.93402 -19.44219 0.683 6.23503 C ? A ? 101 CD1 1
   ATOM 1677 CD2 B TYR A 113 ? 3.64978 18.77096 -20.70534 0.683 7.31222 C ? A ? 101 CD2 1
   ATOM 1678 CE1 B TYR A 113 ? 5.18789 17.77005 -18.61093 0.683 7.41216 C ? A ? 101 CE1 1
   ATOM 1679 CE2 B TYR A 113 ? 4.29997 19.65897 -19.87505 0.683 6.46634 C ? A ? 101 CE2 1
   ATOM 1680 CZ B TYR A 113 ? 5.06075 19.15037 -18.83919 0.683 5.91352 C ? A ? 101 CZ 1
   ATOM 1681 OH B TYR A 113 ? 5.67161 20.08616 -18.08697 0.683 7.45582 O ? A ? 101 OH 1
   ATOM 1682 N . GLY A 114 ? 0.57124 13.74057 -21.63219 1.000 6.91369 N ? A ? 102 N 1
   ATOM 1683 CA . GLY A 114 ? -0.25228 12.97978 -22.49863 1.000 7.43704 C ? A ? 102 CA 1
   ATOM 1684 C . GLY A 114 ? 0.26633 12.81882 -23.92095 1.000 8.02557 C ? A ? 102 C 1
   ATOM 1685 O . GLY A 114 ? 1.44896 12.80055 -24.16957 1.000 7.96051 O ? A ? 102 O 1
   ATOM 1686 N B SER A 115 ? -0.67982 12.73324 -24.85361 0.139 8.03025 N ? A ? 103 N 1
   ATOM 1687 CA B SER A 115 ? -0.34909 12.52338 -26.25452 0.139 9.28677 C ? A ? 103 CA 1
   ATOM 1688 C B SER A 115 ? 0.21341 13.77155 -26.92090 0.139 9.72174 C ? A ? 103 C 1
   ATOM 1689 O B SER A 115 ? 0.83726 13.66786 -27.97010 0.139 11.09197 O ? A ? 103 O 1
   ATOM 1690 CB B SER A 115 ? -1.58447 12.04118 -27.00849 0.139 11.65635 C ? A ? 103 CB 1
   ATOM 1691 OG B SER A 115 ? -1.34378 12.08279 -28.39425 0.139 13.79795 O ? A ? 103 OG 1
   ATOM 1692 N C SER A 115 ? -0.68796 12.71206 -24.84703 0.493 7.94447 N ? A ? 103 N 1
   ATOM 1693 CA C SER A 115 ? -0.33456 12.52516 -26.25910 0.493 9.23958 C ? A ? 103 CA 1
   ATOM 1694 C C SER A 115 ? 0.34950 13.75880 -26.83417 0.493 9.40606 C ? A ? 103 C 1
   ATOM 1695 O C SER A 115 ? 1.19144 13.63452 -27.73023 0.493 11.30307 O ? A ? 103 O 1
   ATOM 1696 CB C SER A 115 ? -1.57124 12.16180 -27.08591 0.493 11.68183 C ? A ? 103 CB 1
   ATOM 1697 OG C SER A 115 ? -2.56370 13.16412 -26.95634 0.493 16.39340 O ? A ? 103 OG 1
   ATOM 1698 N D SER A 115 ? -0.66757 12.68693 -24.86642 0.368 8.02833 N ? A ? 103 N 1
   ATOM 1699 CA D SER A 115 ? -0.27706 12.53051 -26.27540 0.368 9.24643 C ? A ? 103 CA 1
   ATOM 1700 C D SER A 115 ? 0.41507 13.77196 -26.81061 0.368 9.33914 C ? A ? 103 C 1
   ATOM 1701 O D SER A 115 ? 1.29746 13.66982 -27.67591 0.368 11.26345 O ? A ? 103 O 1
   ATOM 1702 CB D SER A 115 ? -1.49012 12.23614 -27.16046 0.368 11.50640 C ? A ? 103 CB 1
   ATOM 1703 OG D SER A 115 ? -2.12702 11.04512 -26.76583 0.368 10.51739 O ? A ? 103 OG 1
   ATOM 1704 N . ALA A 116 ? 0.00448 14.94815 -26.35853 1.000 9.36742 N ? A ? 104 N 1
   ATOM 1705 CA . ALA A 116 ? 0.54310 16.16190 -26.95199 1.000 10.90262 C ? A ? 104 CA 1
   ATOM 1706 C . ALA A 116 ? 2.01520 16.36629 -26.62812 1.000 10.09313 C ? A ? 104 C 1
   ATOM 1707 O . ALA A 116 ? 2.77971 16.88197 -27.47367 1.000 11.99776 O ? A ? 104 O 1
   ATOM 1708 CB . ALA A 116 ? -0.26545 17.37866 -26.52631 1.000 13.12791 C ? A ? 104 CB 1
   ATOM 1709 N . GLY A 117 ? 2.44081 16.00982 -25.39445 1.000 8.33218 N ? A ? 105 N 1
   ATOM 1710 CA . GLY A 117 ? 3.79114 16.33859 -25.05922 1.000 8.84214 C ? A ? 105 CA 1
   ATOM 1711 C . GLY A 117 ? 3.90818 17.82859 -24.88444 1.000 8.92358 C ? A ? 105 C 1
   ATOM 1712 O . GLY A 117 ? 2.92822 18.55924 -24.79121 1.000 11.32856 O ? A ? 105 O 1
   ATOM 1713 N A SER A 118 ? 5.16256 18.27424 -24.76393 0.463 8.32898 N ? A ? 106 N 1
   ATOM 1714 CA A SER A 118 ? 5.59474 19.67656 -24.71864 0.463 12.50927 C ? A ? 106 CA 1
   ATOM 1715 C A SER A 118 ? 6.98573 19.68447 -25.35165 0.463 7.30121 C ? A ? 106 C 1
   ATOM 1716 O A SER A 118 ? 8.02232 19.70886 -24.68728 0.463 11.30075 O ? A ? 106 O 1
   ATOM 1717 CB A SER A 118 ? 5.64279 20.25055 -23.29985 0.463 8.63677 C ? A ? 106 CB 1
   ATOM 1718 OG A SER A 118 ? 5.97073 21.64434 -23.30845 0.463 12.18634 O ? A ? 106 OG 1
   ATOM 1719 N B SER A 118 ? 5.14210 18.26266 -24.84777 0.537 8.26150 N ? A ? 106 N 1
   ATOM 1720 CA B SER A 118 ? 5.40155 19.68507 -24.91459 0.537 9.78497 C ? A ? 106 CA 1
   ATOM 1721 C B SER A 118 ? 6.79380 19.83287 -25.50759 0.537 10.33983 C ? A ? 106 C 1
   ATOM 1722 O B SER A 118 ? 7.80431 19.67954 -24.82775 0.537 10.15034 O ? A ? 106 O 1
   ATOM 1723 CB B SER A 118 ? 5.28095 20.31443 -23.54304 0.537 9.88504 C ? A ? 106 CB 1
   ATOM 1724 OG B SER A 118 ? 5.32620 21.71177 -23.69794 0.537 9.23739 O ? A ? 106 OG 1
   ATOM 1725 N A LEU A 119 ? 7.00994 19.67649 -26.68832 0.463 9.63822 N ? A ? 107 N 1
   ATOM 1726 CA A LEU A 119 ? 8.27292 19.67654 -27.38228 0.463 10.93945 C ? A ? 107 CA 1
   ATOM 1727 C A LEU A 119 ? 8.95521 21.04009 -27.25401 0.463 12.43216 C ? A ? 107 C 1
   ATOM 1728 O A LEU A 119 ? 8.29694 22.08093 -27.11541 0.463 13.18312 O ? A ? 107 O 1
   ATOM 1729 CB A LEU A 119 ? 8.05779 19.37524 -28.86452 0.463 11.64146 C ? A ? 107 CB 1
   ATOM 1730 CG A LEU A 119 ? 7.50198 17.98666 -29.13677 0.463 12.68887 C ? A ? 107 CG 1
   ATOM 1731 CD1 A LEU A 119 ? 7.16049 17.89062 -30.62195 0.463 18.04967 C ? A ? 107 CD1 1
   ATOM 1732 CD2 A LEU A 119 ? 8.47478 16.94690 -28.82138 0.463 12.02304 C ? A ? 107 CD2 1
   ATOM 1733 N B LEU A 119 ? 6.83017 20.16032 -26.77297 0.537 11.75429 N ? A ? 107 N 1
   ATOM 1734 CA B LEU A 119 ? 8.03289 19.98357 -27.58281 0.537 10.73536 C ? A ? 107 CA 1
   ATOM 1735 C B LEU A 119 ? 8.93662 21.20566 -27.44947 0.537 10.31435 C ? A ? 107 C 1
   ATOM 1736 O B LEU A 119 ? 8.44201 22.32700 -27.41521 0.537 12.60950 O ? A ? 107 O 1
   ATOM 1737 CB B LEU A 119 ? 7.64522 19.77430 -29.04228 0.537 11.24329 C ? A ? 107 CB 1
   ATOM 1738 CG B LEU A 119 ? 6.69082 18.59721 -29.29676 0.537 10.52576 C ? A ? 107 CG 1
   ATOM 1739 CD1 B LEU A 119 ? 6.48159 18.42113 -30.83791 0.537 12.00618 C ? A ? 107 CD1 1
   ATOM 1740 CD2 B LEU A 119 ? 7.28779 17.31308 -28.73243 0.537 9.16629 C ? A ? 107 CD2 1
   ATOM 1741 N . PRO A 120 ? 10.26091 21.03825 -27.34215 1.000 11.84375 N ? A ? 108 N 1
   ATOM 1742 CA . PRO A 120 ? 11.05015 19.81067 -27.53435 1.000 14.01039 C ? A ? 108 CA 1
   ATOM 1743 C . PRO A 120 ? 11.38016 18.98998 -26.29168 1.000 10.50813 C ? A ? 108 C 1
   ATOM 1744 O . PRO A 120 ? 11.81751 17.86053 -26.47613 1.000 12.38754 O ? A ? 108 O 1
   ATOM 1745 CB . PRO A 120 ? 12.31918 20.33542 -28.20337 1.000 21.15001 C ? A ? 108 CB 1
   ATOM 1746 CG . PRO A 120 ? 12.51233 21.66441 -27.49882 1.000 19.17205 C ? A ? 108 CG 1
   ATOM 1747 CD . PRO A 120 ? 11.11722 22.26301 -27.39743 1.000 14.93324 C ? A ? 108 CD 1
   ATOM 1748 N A LYS A 121 ? 11.30501 19.48181 -25.06234 0.754 11.61446 N ? A ? 109 N 1
   ATOM 1749 CA A LYS A 121 ? 11.81883 18.67568 -23.95458 0.754 13.26339 C ? A ? 109 CA 1
   ATOM 1750 C A LYS A 121 ? 10.97635 17.44440 -23.69495 0.754 10.53891 C ? A ? 109 C 1
   ATOM 1751 O A LYS A 121 ? 11.48247 16.48007 -23.11951 0.754 11.62680 O ? A ? 109 O 1
   ATOM 1752 CB A LYS A 121 ? 11.86247 19.42724 -22.60389 0.754 13.06879 C ? A ? 109 CB 1
   ATOM 1753 CG A LYS A 121 ? 13.01977 20.40541 -22.42096 0.754 13.60377 C ? A ? 109 CG 1
   ATOM 1754 CD A LYS A 121 ? 12.96299 21.04904 -21.01407 0.754 12.38835 C ? A ? 109 CD 1
   ATOM 1755 CE A LYS A 121 ? 13.92807 22.23126 -20.88576 0.754 14.06380 C ? A ? 109 CE 1
   ATOM 1756 NZ A LYS A 121 ? 15.34161 21.78129 -20.77339 0.754 13.30756 N ? A ? 109 NZ 1
   ATOM 1757 N B LYS A 121 ? 11.20343 19.44550 -25.05220 0.246 11.59700 N ? A ? 109 N 1
   ATOM 1758 CA B LYS A 121 ? 11.71965 18.67803 -23.91799 0.246 13.24900 C ? A ? 109 CA 1
   ATOM 1759 C B LYS A 121 ? 10.98279 17.35099 -23.73116 0.246 10.44073 C ? A ? 109 C 1
   ATOM 1760 O B LYS A 121 ? 11.61522 16.29975 -23.56678 0.246 13.16487 O ? A ? 109 O 1
   ATOM 1761 CB B LYS A 121 ? 11.70583 19.52053 -22.63433 0.246 13.23499 C ? A ? 109 CB 1
   ATOM 1762 CG B LYS A 121 ? 12.84727 20.54908 -22.57423 0.246 12.78010 C ? A ? 109 CG 1
   ATOM 1763 CD B LYS A 121 ? 12.67657 21.56976 -21.43415 0.246 9.88439 C ? A ? 109 CD 1
   ATOM 1764 CE B LYS A 121 ? 13.93588 22.37154 -21.18580 0.246 13.59570 C ? A ? 109 CE 1
   ATOM 1765 NZ B LYS A 121 ? 15.12227 21.47499 -21.08223 0.246 11.49821 N ? A ? 109 NZ 1
   ATOM 1766 N A ILE A 122 ? 9.68268 17.49189 -23.95804 0.754 8.45381 N ? A ? 110 N 1
   ATOM 1767 CA A ILE A 122 ? 8.78897 16.42964 -23.52380 0.754 9.73961 C ? A ? 110 CA 1
   ATOM 1768 C A ILE A 122 ? 8.08303 15.84681 -24.73418 0.754 7.48174 C ? A ? 110 C 1
   ATOM 1769 O A ILE A 122 ? 7.15248 16.45522 -25.27059 0.754 8.73384 O ? A ? 110 O 1
   ATOM 1770 CB A ILE A 122 ? 7.80138 16.91351 -22.45436 0.754 8.91250 C ? A ? 110 CB 1
   ATOM 1771 CG1 A ILE A 122 ? 8.60981 17.47907 -21.28352 0.754 10.51690 C ? A ? 110 CG1 1
   ATOM 1772 CG2 A ILE A 122 ? 7.01699 15.68927 -21.96655 0.754 11.48648 C ? A ? 110 CG2 1
   ATOM 1773 CD1 A ILE A 122 ? 7.78610 17.90499 -20.16017 0.754 11.69978 C ? A ? 110 CD1 1
   ATOM 1774 N B ILE A 122 ? 9.65818 17.37564 -23.74775 0.246 7.96084 N ? A ? 110 N 1
   ATOM 1775 CA B ILE A 122 ? 8.82167 16.22243 -23.42337 0.246 10.37720 C ? A ? 110 CA 1
   ATOM 1776 C B ILE A 122 ? 8.16834 15.76833 -24.72239 0.246 7.37930 C ? A ? 110 C 1
   ATOM 1777 O B ILE A 122 ? 7.54173 16.59172 -25.38847 0.246 6.11885 O ? A ? 110 O 1
   ATOM 1778 CB B ILE A 122 ? 7.74779 16.59253 -22.37792 0.246 9.17610 C ? A ? 110 CB 1
   ATOM 1779 CG1 B ILE A 122 ? 8.36778 17.21941 -21.12396 0.246 9.53049 C ? A ? 110 CG1 1
   ATOM 1780 CG2 B ILE A 122 ? 6.85573 15.38217 -22.01922 0.246 8.39961 C ? A ? 110 CG2 1
   ATOM 1781 CD1 B ILE A 122 ? 8.18126 18.72653 -21.02659 0.246 10.80140 C ? A ? 110 CD1 1
   ATOM 1782 N A PRO A 123 ? 8.53373 14.70990 -25.21134 0.754 8.37038 N ? A ? 111 N 1
   ATOM 1783 CA A PRO A 123 ? 7.86444 14.06197 -26.33452 0.754 8.97575 C ? A ? 111 CA 1
   ATOM 1784 C A PRO A 123 ? 6.45133 13.61072 -25.99860 0.754 7.93678 C ? A ? 111 C 1
   ATOM 1785 O A PRO A 123 ? 6.03637 13.48092 -24.83825 0.754 7.85006 O ? A ? 111 O 1
   ATOM 1786 CB A PRO A 123 ? 8.71884 12.82498 -26.60607 0.754 10.68852 C ? A ? 111 CB 1
   ATOM 1787 CG A PRO A 123 ? 9.95438 13.00628 -25.89345 0.754 15.20226 C ? A ? 111 CG 1
   ATOM 1788 CD A PRO A 123 ? 9.63873 13.88483 -24.70877 0.754 9.43484 C ? A ? 111 CD 1
   ATOM 1789 N B PRO A 123 ? 8.29416 14.51482 -25.12562 0.246 9.39278 N ? A ? 111 N 1
   ATOM 1790 CA B PRO A 123 ? 7.59923 14.02378 -26.31707 0.246 8.75569 C ? A ? 111 CA 1
   ATOM 1791 C B PRO A 123 ? 6.16650 13.60461 -25.98427 0.246 8.82904 C ? A ? 111 C 1
   ATOM 1792 O B PRO A 123 ? 5.69048 13.72437 -24.85771 0.246 6.37178 O ? A ? 111 O 1
   ATOM 1793 CB B PRO A 123 ? 8.44549 12.81098 -26.70302 0.246 11.16568 C ? A ? 111 CB 1
   ATOM 1794 CG B PRO A 123 ? 8.89257 12.28842 -25.38834 0.246 5.99878 C ? A ? 111 CG 1
   ATOM 1795 CD B PRO A 123 ? 9.19686 13.49559 -24.57881 0.246 5.62614 C ? A ? 111 CD 1
   ATOM 1796 N A SER A 124 ? 5.70605 13.29086 -27.04593 0.754 8.71323 N ? A ? 112 N 1
   ATOM 1797 CA A SER A 124 ? 4.45909 12.58646 -26.89737 0.754 7.51942 C ? A ? 112 CA 1
   ATOM 1798 C A SER A 124 ? 4.65551 11.33368 -26.05744 0.754 8.24790 C ? A ? 112 C 1
   ATOM 1799 O A SER A 124 ? 5.68354 10.64459 -26.13015 0.754 8.11128 O ? A ? 112 O 1
   ATOM 1800 CB A SER A 124 ? 4.05803 12.11945 -28.28899 0.754 11.13608 C ? A ? 112 CB 1
   ATOM 1801 OG A SER A 124 ? 2.77798 11.56480 -28.27316 0.754 12.44726 O ? A ? 112 OG 1
   ATOM 1802 N B SER A 124 ? 5.47891 13.08995 -26.99685 0.246 6.21921 N ? A ? 112 N 1
   ATOM 1803 CA B SER A 124 ? 4.13922 12.54957 -26.82701 0.246 6.89307 C ? A ? 112 CA 1
   ATOM 1804 C B SER A 124 ? 4.20359 11.24704 -26.03676 0.246 9.62090 C ? A ? 112 C 1
   ATOM 1805 O B SER A 124 ? 5.15545 10.47141 -26.16278 0.246 6.07143 O ? A ? 112 O 1
   ATOM 1806 CB B SER A 124 ? 3.54064 12.29358 -28.21200 0.246 5.65956 C ? A ? 112 CB 1
   ATOM 1807 OG B SER A 124 ? 2.31491 11.58449 -28.16450 0.246 9.83162 O ? A ? 112 OG 1
   ATOM 1808 N A ASN A 125 ? 3.64295 11.05507 -25.23447 0.754 7.78862 N ? A ? 113 N 1
   ATOM 1809 CA A ASN A 125 ? 3.53642 9.78171 -24.52235 0.754 7.38408 C ? A ? 113 CA 1
   ATOM 1810 C A ASN A 125 ? 4.69483 9.55753 -23.54468 0.754 5.48691 C ? A ? 113 C 1
   ATOM 1811 O A ASN A 125 ? 5.07601 8.39745 -23.33216 0.754 8.22834 O ? A ? 113 O 1
   ATOM 1812 CB A ASN A 125 ? 3.41910 8.60006 -25.50297 0.754 7.89666 C ? A ? 113 CB 1
   ATOM 1813 CG A ASN A 125 ? 2.80124 7.36331 -24.86215 0.754 8.51400 C ? A ? 113 CG 1
   ATOM 1814 OD1 A ASN A 125 ? 1.89842 7.48943 -24.01578 0.754 10.49043 O ? A ? 113 OD1 1
   ATOM 1815 ND2 A ASN A 125 ? 3.19625 6.16886 -25.33980 0.754 10.05436 N ? A ? 113 ND2 1
   ATOM 1816 N B ASN A 125 ? 3.18361 11.01169 -25.20154 0.246 4.70170 N ? A ? 113 N 1
   ATOM 1817 CA B ASN A 125 ? 3.04853 9.73508 -24.50292 0.246 3.87740 C ? A ? 113 CA 1
   ATOM 1818 C B ASN A 125 ? 4.25918 9.47534 -23.61057 0.246 6.09202 C ? A ? 113 C 1
   ATOM 1819 O B ASN A 125 ? 4.87924 8.41464 -23.66072 0.246 8.30563 O ? A ? 113 O 1
   ATOM 1820 CB B ASN A 125 ? 2.86626 8.58741 -25.50219 0.246 6.92886 C ? A ? 113 CB 1
   ATOM 1821 CG B ASN A 125 ? 2.55460 7.28164 -24.81208 0.246 9.09894 C ? A ? 113 CG 1
   ATOM 1822 OD1 B ASN A 125 ? 1.48764 7.17744 -24.22069 0.246 5.72128 O ? A ? 113 OD1 1
   ATOM 1823 ND2 B ASN A 125 ? 3.47719 6.28559 -24.86181 0.246 11.51906 N ? A ? 113 ND2 1
   ATOM 1824 N A ALA A 126 ? 5.14377 10.59871 -22.84385 0.754 6.75465 N ? A ? 114 N 1
   ATOM 1825 CA A ALA A 126 ? 6.34493 10.49382 -21.99870 0.754 8.52964 C ? A ? 114 CA 1
   ATOM 1826 C A ALA A 126 ? 5.98848 10.13062 -20.56747 0.754 7.39775 C ? A ? 114 C 1
   ATOM 1827 O A ALA A 126 ? 5.21420 10.84262 -19.93237 0.754 7.57311 O ? A ? 114 O 1
   ATOM 1828 CB A ALA A 126 ? 7.13158 11.81549 -21.99027 0.754 8.69184 C ? A ? 114 CB 1
   ATOM 1829 N B ALA A 126 ? 4.63090 10.46955 -22.82148 0.246 4.50434 N ? A ? 114 N 1
   ATOM 1830 CA B ALA A 126 ? 5.83190 10.36843 -21.99699 0.246 6.84240 C ? A ? 114 CA 1
   ATOM 1831 C B ALA A 126 ? 5.50089 10.02551 -20.54705 0.246 4.28654 C ? A ? 114 C 1
   ATOM 1832 O B ALA A 126 ? 4.53674 10.55512 -19.97942 0.246 4.54316 O ? A ? 114 O 1
   ATOM 1833 CB B ALA A 126 ? 6.61528 11.68127 -22.04166 0.246 6.21382 C ? A ? 114 CB 1
   ATOM 1834 N A THR A 127 ? 6.61901 9.09067 -20.03143 0.754 6.46588 N ? A ? 115 N 1
   ATOM 1835 CA A THR A 127 ? 6.57100 8.79705 -18.59730 0.754 5.53132 C ? A ? 115 CA 1
   ATOM 1836 C A THR A 127 ? 7.60263 9.66650 -17.89896 0.754 8.02731 C ? A ? 115 C 1
   ATOM 1837 O A THR A 127 ? 8.72773 9.79142 -18.38900 0.754 7.77396 O ? A ? 115 O 1
   ATOM 1838 CB A THR A 127 ? 6.77367 7.26939 -18.41435 0.754 5.92210 C ? A ? 115 CB 1
   ATOM 1839 OG1 A THR A 127 ? 5.60544 6.62464 -18.95712 0.754 8.02034 O ? A ? 115 OG1 1
   ATOM 1840 CG2 A THR A 127 ? 6.87041 6.89180 -16.97259 0.754 6.82661 C ? A ? 115 CG2 1
   ATOM 1841 N B THR A 127 ? 6.33790 9.15233 -19.95450 0.246 5.35861 N ? A ? 115 N 1
   ATOM 1842 CA B THR A 127 ? 6.44658 8.90388 -18.51143 0.246 5.06331 C ? A ? 115 CA 1
   ATOM 1843 C B THR A 127 ? 7.53434 9.79225 -17.91935 0.246 7.88124 C ? A ? 115 C 1
   ATOM 1844 O B THR A 127 ? 8.62633 9.89095 -18.48566 0.246 7.29885 O ? A ? 115 O 1
   ATOM 1845 CB B THR A 127 ? 6.93454 7.46277 -18.29630 0.246 7.78945 C ? A ? 115 CB 1
   ATOM 1846 OG1 B THR A 127 ? 6.21134 6.54469 -19.12564 0.246 4.06368 O ? A ? 115 OG1 1
   ATOM 1847 CG2 B THR A 127 ? 6.83423 7.05420 -16.81876 0.246 6.70349 C ? A ? 115 CG2 1
   ATOM 1848 N A LEU A 128 ? 7.20983 10.33479 -16.80453 0.754 5.69123 N ? A ? 116 N 1
   ATOM 1849 CA A LEU A 128 ? 8.05369 11.29943 -16.12809 0.754 5.36192 C ? A ? 116 CA 1
   ATOM 1850 C A LEU A 128 ? 8.46925 10.76789 -14.76535 0.754 5.51667 C ? A ? 116 C 1
   ATOM 1851 O A LEU A 128 ? 7.77496 9.98741 -14.10148 0.754 5.72628 O ? A ? 116 O 1
   ATOM 1852 CB A LEU A 128 ? 7.34417 12.64935 -15.91337 0.754 5.36518 C ? A ? 116 CB 1
   ATOM 1853 CG A LEU A 128 ? 6.84482 13.26654 -17.23609 0.754 6.65143 C ? A ? 116 CG 1
   ATOM 1854 CD1 A LEU A 128 ? 6.39686 14.71098 -16.92342 0.754 7.11779 C ? A ? 116 CD1 1
   ATOM 1855 CD2 A LEU A 128 ? 7.86446 13.36757 -18.26878 0.754 6.42045 C ? A ? 116 CD2 1
   ATOM 1856 N B LEU A 128 ? 7.26720 10.40087 -16.76066 0.246 5.65090 N ? A ? 116 N 1
   ATOM 1857 CA B LEU A 128 ? 8.24494 11.27180 -16.12793 0.246 5.19053 C ? A ? 116 CA 1
   ATOM 1858 C B LEU A 128 ? 8.63903 10.74209 -14.76647 0.246 5.53390 C ? A ? 116 C 1
   ATOM 1859 O B LEU A 128 ? 8.04199 9.83264 -14.18365 0.246 5.67735 O ? A ? 116 O 1
   ATOM 1860 CB B LEU A 128 ? 7.72907 12.69904 -15.90188 0.246 4.47443 C ? A ? 116 CB 1
   ATOM 1861 CG B LEU A 128 ? 7.39632 13.51472 -17.14972 0.246 5.11498 C ? A ? 116 CG 1
   ATOM 1862 CD1 B LEU A 128 ? 7.05403 14.96661 -16.70841 0.246 5.81730 C ? A ? 116 CD1 1
   ATOM 1863 CD2 B LEU A 128 ? 8.49977 13.50615 -18.17438 0.246 5.18092 C ? A ? 116 CD2 1
   ATOM 1864 N A PHE A 129 ? 9.60595 11.24370 -14.29416 0.754 5.67991 N ? A ? 117 N 1
   ATOM 1865 CA A PHE A 129 ? 10.07792 10.95968 -12.93036 0.754 5.65467 C ? A ? 117 CA 1
   ATOM 1866 C A PHE A 129 ? 10.50307 12.25571 -12.23662 0.754 5.40554 C ? A ? 117 C 1
   ATOM 1867 O A PHE A 129 ? 11.16319 13.11245 -12.83939 0.754 5.68664 O ? A ? 117 O 1
   ATOM 1868 CB A PHE A 129 ? 11.32790 10.04764 -13.01957 0.754 5.95789 C ? A ? 117 CB 1
   ATOM 1869 CG A PHE A 129 ? 11.84800 9.59132 -11.65467 0.754 7.38912 C ? A ? 117 CG 1
   ATOM 1870 CD1 A PHE A 129 ? 11.26656 8.55933 -10.95675 0.754 6.34483 C ? A ? 117 CD1 1
   ATOM 1871 CD2 A PHE A 129 ? 12.94035 10.23763 -11.10095 0.754 8.84717 C ? A ? 117 CD2 1
   ATOM 1872 CE1 A PHE A 129 ? 11.73951 8.15700 -9.69628 0.754 10.49371 C ? A ? 117 CE1 1
   ATOM 1873 CE2 A PHE A 129 ? 13.42666 9.83076 -9.85688 0.754 13.39549 C ? A ? 117 CE2 1
   ATOM 1874 CZ A PHE A 129 ? 12.81938 8.78356 -9.19314 0.754 8.47609 C ? A ? 117 CZ 1
   ATOM 1875 N B PHE A 129 ? 9.63805 11.37895 -14.21477 0.246 6.11626 N ? A ? 117 N 1
   ATOM 1876 CA B PHE A 129 ? 10.06686 10.96065 -12.90031 0.246 5.64046 C ? A ? 117 CA 1
   ATOM 1877 C B PHE A 129 ? 10.60250 12.19100 -12.19533 0.246 5.35008 C ? A ? 117 C 1
   ATOM 1878 O B PHE A 129 ? 11.52612 12.85053 -12.70233 0.246 6.23214 O ? A ? 117 O 1
   ATOM 1879 CB B PHE A 129 ? 11.11311 9.87477 -13.05191 0.246 6.15115 C ? A ? 117 CB 1
   ATOM 1880 CG B PHE A 129 ? 11.57536 9.32014 -11.74541 0.246 5.74313 C ? A ? 117 CG 1
   ATOM 1881 CD1 B PHE A 129 ? 10.86378 8.31345 -11.07935 0.246 6.34940 C ? A ? 117 CD1 1
   ATOM 1882 CD2 B PHE A 129 ? 12.73733 9.80806 -11.19035 0.246 5.30492 C ? A ? 117 CD2 1
   ATOM 1883 CE1 B PHE A 129 ? 11.31221 7.80837 -9.86145 0.246 4.12371 C ? A ? 117 CE1 1
   ATOM 1884 CE2 B PHE A 129 ? 13.20108 9.30596 -9.98083 0.246 7.66021 C ? A ? 117 CE2 1
   ATOM 1885 CZ B PHE A 129 ? 12.47339 8.32395 -9.30836 0.246 7.00614 C ? A ? 117 CZ 1
   ATOM 1886 N A PHE A 130 ? 10.15035 12.44092 -10.96499 0.754 5.73423 N ? A ? 118 N 1
   ATOM 1887 CA A PHE A 130 ? 10.61061 13.59380 -10.19665 0.754 5.70484 C ? A ? 118 CA 1
   ATOM 1888 C A PHE A 130 ? 11.12516 13.15697 -8.83166 0.754 5.13470 C ? A ? 118 C 1
   ATOM 1889 O A PHE A 130 ? 10.67298 12.16610 -8.25238 0.754 6.25391 O ? A ? 118 O 1
   ATOM 1890 CB A PHE A 130 ? 9.49185 14.58724 -9.88569 0.754 5.57126 C ? A ? 118 CB 1
   ATOM 1891 CG A PHE A 130 ? 8.98808 15.33107 -11.06212 0.754 5.40415 C ? A ? 118 CG 1
   ATOM 1892 CD1 A PHE A 130 ? 8.07807 14.73182 -11.97129 0.754 6.36699 C ? A ? 118 CD1 1
   ATOM 1893 CD2 A PHE A 130 ? 9.44525 16.63396 -11.35856 0.754 5.97480 C ? A ? 118 CD2 1
   ATOM 1894 CE1 A PHE A 130 ? 7.56826 15.44017 -13.05605 0.754 6.59386 C ? A ? 118 CE1 1
   ATOM 1895 CE2 A PHE A 130 ? 8.92128 17.34483 -12.45519 0.754 7.07898 C ? A ? 118 CE2 1
   ATOM 1896 CZ A PHE A 130 ? 8.00674 16.74353 -13.29635 0.754 5.91722 C ? A ? 118 CZ 1
   ATOM 1897 N B PHE A 130 ? 9.95053 12.52359 -11.07965 0.246 5.54866 N ? A ? 118 N 1
   ATOM 1898 CA B PHE A 130 ? 10.25207 13.67414 -10.25422 0.246 4.50109 C ? A ? 118 CA 1
   ATOM 1899 C B PHE A 130 ? 10.70850 13.21851 -8.86964 0.246 5.58448 C ? A ? 118 C 1
   ATOM 1900 O B PHE A 130 ? 10.17144 12.26498 -8.29693 0.246 5.10860 O ? A ? 118 O 1
   ATOM 1901 CB B PHE A 130 ? 9.00638 14.54164 -10.02579 0.246 5.50265 C ? A ? 118 CB 1
   ATOM 1902 CG B PHE A 130 ? 8.49474 15.25512 -11.24367 0.246 5.09498 C ? A ? 118 CG 1
   ATOM 1903 CD1 B PHE A 130 ? 8.97016 16.51756 -11.61412 0.246 5.09477 C ? A ? 118 CD1 1
   ATOM 1904 CD2 B PHE A 130 ? 7.52768 14.66957 -12.02774 0.246 6.34389 C ? A ? 118 CD2 1
   ATOM 1905 CE1 B PHE A 130 ? 8.45456 17.16702 -12.73546 0.246 2.81277 C ? A ? 118 CE1 1
   ATOM 1906 CE2 B PHE A 130 ? 7.00689 15.31227 -13.11583 0.246 4.96646 C ? A ? 118 CE2 1
   ATOM 1907 CZ B PHE A 130 ? 7.47973 16.54837 -13.47315 0.246 5.99975 C ? A ? 118 CZ 1
   ATOM 1908 N A GLU A 131 ? 12.02549 13.95161 -8.27894 0.754 5.44552 N ? A ? 119 N 1
   ATOM 1909 CA A GLU A 131 ? 12.23665 14.07242 -6.85742 0.754 5.38699 C ? A ? 119 CA 1
   ATOM 1910 C A GLU A 131 ? 11.66809 15.43179 -6.42770 0.754 6.18978 C ? A ? 119 C 1
   ATOM 1911 O A GLU A 131 ? 11.93326 16.45699 -7.06510 0.754 7.01229 O ? A ? 119 O 1
   ATOM 1912 CB A GLU A 131 ? 13.71154 14.07665 -6.60388 0.754 6.90903 C ? A ? 119 CB 1
   ATOM 1913 CG A GLU A 131 ? 14.07308 14.01276 -5.08342 0.754 10.18057 C ? A ? 119 CG 1
   ATOM 1914 CD A GLU A 131 ? 15.53439 13.93828 -4.93486 0.754 13.73478 C ? A ? 119 CD 1
   ATOM 1915 OE1 A GLU A 131 ? 16.08515 12.84787 -5.13817 0.754 17.21467 O ? A ? 119 OE1 1
   ATOM 1916 OE2 A GLU A 131 ? 16.12238 15.01657 -4.68447 0.754 25.61349 O ? A ? 119 OE2 1
   ATOM 1917 N B GLU A 131 ? 11.65470 13.97241 -8.29935 0.246 3.67536 N ? A ? 119 N 1
   ATOM 1918 CA B GLU A 131 ? 12.04550 13.97184 -6.88785 0.246 5.23700 C ? A ? 119 CA 1
   ATOM 1919 C B GLU A 131 ? 11.82170 15.37461 -6.33364 0.246 6.15025 C ? A ? 119 C 1
   ATOM 1920 O B GLU A 131 ? 12.50442 16.34240 -6.71989 0.246 3.72015 O ? A ? 119 O 1
   ATOM 1921 CB B GLU A 131 ? 13.51076 13.60910 -6.68526 0.246 6.11847 C ? A ? 119 CB 1
   ATOM 1922 CG B GLU A 131 ? 13.96826 13.59997 -5.21092 0.246 10.19036 C ? A ? 119 CG 1
   ATOM 1923 CD B GLU A 131 ? 15.44749 13.86926 -5.08974 0.246 13.57529 C ? A ? 119 CD 1
   ATOM 1924 OE1 B GLU A 131 ? 16.22100 12.91388 -5.28435 0.246 17.31839 O ? A ? 119 OE1 1
   ATOM 1925 OE2 B GLU A 131 ? 15.83146 15.04211 -4.85650 0.246 20.31548 O ? A ? 119 OE2 1
   ATOM 1926 N A ILE A 132 ? 10.83470 15.43170 -5.39352 0.754 5.40082 N ? A ? 120 N 1
   ATOM 1927 CA A ILE A 132 ? 10.19610 16.62649 -4.84408 0.754 5.79095 C ? A ? 120 CA 1
   ATOM 1928 C A ILE A 132 ? 10.47439 16.74754 -3.36091 0.754 4.45035 C ? A ? 120 C 1
   ATOM 1929 O A ILE A 132 ? 10.25895 15.78030 -2.62402 0.754 5.39612 O ? A ? 120 O 1
   ATOM 1930 CB A ILE A 132 ? 8.67941 16.63482 -5.07327 0.754 5.67632 C ? A ? 120 CB 1
   ATOM 1931 CG1 A ILE A 132 ? 8.38197 16.45533 -6.57616 0.754 6.18651 C ? A ? 120 CG1 1
   ATOM 1932 CG2 A ILE A 132 ? 8.04603 17.93390 -4.51024 0.754 7.27696 C ? A ? 120 CG2 1
   ATOM 1933 CD1 A ILE A 132 ? 6.97728 16.25995 -6.88732 0.754 8.68388 C ? A ? 120 CD1 1
   ATOM 1934 N B ILE A 132 ? 10.92497 15.45696 -5.37014 0.246 5.32022 N ? A ? 120 N 1
   ATOM 1935 CA B ILE A 132 ? 10.45181 16.71260 -4.82517 0.246 6.21166 C ? A ? 120 CA 1
   ATOM 1936 C B ILE A 132 ? 10.85186 16.79228 -3.36487 0.246 3.90653 C ? A ? 120 C 1
   ATOM 1937 O B ILE A 132 ? 10.79547 15.79398 -2.63548 0.246 3.78959 O ? A ? 120 O 1
   ATOM 1938 CB B ILE A 132 ? 8.92094 16.80172 -4.97558 0.246 5.81144 C ? A ? 120 CB 1
   ATOM 1939 CG1 B ILE A 132 ? 8.47793 16.52343 -6.41377 0.246 5.93051 C ? A ? 120 CG1 1
   ATOM 1940 CG2 B ILE A 132 ? 8.40318 18.17505 -4.63153 0.246 6.50057 C ? A ? 120 CG2 1
   ATOM 1941 CD1 B ILE A 132 ? 6.96103 16.58407 -6.57261 0.246 4.42346 C ? A ? 120 CD1 1
   ATOM 1942 N A GLU A 133 ? 10.94687 17.91020 -2.93030 0.754 5.46734 N ? A ? 121 N 1
   ATOM 1943 CA A GLU A 133 ? 11.12371 18.27860 -1.51855 0.754 5.52640 C ? A ? 121 CA 1
   ATOM 1944 C A GLU A 133 ? 10.08273 19.31054 -1.13888 0.754 5.51587 C ? A ? 121 C 1
   ATOM 1945 O A GLU A 133 ? 10.03821 20.37620 -1.73972 0.754 5.62825 O ? A ? 121 O 1
   ATOM 1946 CB A GLU A 133 ? 12.50917 18.86238 -1.29534 0.754 6.36283 C ? A ? 121 CB 1
   ATOM 1947 CG A GLU A 133 ? 12.68149 19.27255 0.15386 0.754 7.01529 C ? A ? 121 CG 1
   ATOM 1948 CD A GLU A 133 ? 14.04536 19.78126 0.53795 0.754 8.28873 C ? A ? 121 CD 1
   ATOM 1949 OE1 A GLU A 133 ? 14.85213 20.13711 -0.33556 0.754 14.07302 O ? A ? 121 OE1 1
   ATOM 1950 OE2 A GLU A 133 ? 14.30275 19.96271 1.76136 0.754 9.81679 O ? A ? 121 OE2 1
   ATOM 1951 N B GLU A 133 ? 11.22138 17.98225 -2.92751 0.246 5.22116 N ? A ? 121 N 1
   ATOM 1952 CA B GLU A 133 ? 11.35929 18.24754 -1.50296 0.246 4.97071 C ? A ? 121 CA 1
   ATOM 1953 C B GLU A 133 ? 10.41153 19.36446 -1.09793 0.246 4.01267 C ? A ? 121 C 1
   ATOM 1954 O B GLU A 133 ? 10.52826 20.48404 -1.59498 0.246 5.93355 O ? A ? 121 O 1
   ATOM 1955 CB B GLU A 133 ? 12.77595 18.63749 -1.16056 0.246 7.29887 C ? A ? 121 CB 1
   ATOM 1956 CG B GLU A 133 ? 12.82973 18.96664 0.30015 0.246 7.56258 C ? A ? 121 CG 1
   ATOM 1957 CD B GLU A 133 ? 14.10224 19.58077 0.70729 0.246 7.99239 C ? A ? 121 CD 1
   ATOM 1958 OE1 B GLU A 133 ? 15.11662 19.49682 -0.01789 0.246 6.27083 O ? A ? 121 OE1 1
   ATOM 1959 OE2 B GLU A 133 ? 14.05939 20.17706 1.80086 0.246 7.21387 O ? A ? 121 OE2 1
   ATOM 1960 N A LEU A 134 ? 9.19432 18.94535 -0.22821 0.754 6.21518 N ? A ? 122 N 1
   ATOM 1961 CA A LEU A 134 ? 8.20371 19.90056 0.24441 0.754 6.38810 C ? A ? 122 CA 1
   ATOM 1962 C A LEU A 134 ? 8.82381 20.72597 1.36026 0.754 6.42619 C ? A ? 122 C 1
   ATOM 1963 O A LEU A 134 ? 9.14858 20.18733 2.43642 0.754 6.91695 O ? A ? 122 O 1
   ATOM 1964 CB A LEU A 134 ? 6.96537 19.15304 0.72435 0.754 7.06817 C ? A ? 122 CB 1
   ATOM 1965 CG A LEU A 134 ? 5.84041 20.05612 1.19151 0.754 7.36959 C ? A ? 122 CG 1
   ATOM 1966 CD1 A LEU A 134 ? 5.43896 21.21596 0.22614 0.754 8.98907 C ? A ? 122 CD1 1
   ATOM 1967 CD2 A LEU A 134 ? 4.61813 19.26244 1.66434 0.754 8.83251 C ? A ? 122 CD2 1
   ATOM 1968 N B LEU A 134 ? 9.48282 19.06538 -0.18598 0.246 5.43301 N ? A ? 122 N 1
   ATOM 1969 CA B LEU A 134 ? 8.48030 20.05255 0.24420 0.246 5.99021 C ? A ? 122 CA 1
   ATOM 1970 C B LEU A 134 ? 9.06479 21.01162 1.28517 0.246 5.99971 C ? A ? 122 C 1
   ATOM 1971 O B LEU A 134 ? 9.34062 20.60492 2.42016 0.246 6.02175 O ? A ? 122 O 1
   ATOM 1972 CB B LEU A 134 ? 7.22902 19.36199 0.79714 0.246 6.49591 C ? A ? 122 CB 1
   ATOM 1973 CG B LEU A 134 ? 6.08188 20.27532 1.28120 0.246 8.95512 C ? A ? 122 CG 1
   ATOM 1974 CD1 B LEU A 134 ? 5.60897 21.26100 0.20295 0.246 8.70746 C ? A ? 122 CD1 1
   ATOM 1975 CD2 B LEU A 134 ? 4.89571 19.46922 1.83169 0.246 7.26213 C ? A ? 122 CD2 1
   ATOM 1976 N A LEU A 135 ? 9.02476 22.01027 1.10929 0.754 6.81458 N ? A ? 123 N 1
   ATOM 1977 CA A LEU A 135 ? 9.64609 22.90381 2.07961 0.754 8.48454 C ? A ? 123 CA 1
   ATOM 1978 C A LEU A 135 ? 8.61991 23.45940 3.05684 0.754 7.52198 C ? A ? 123 C 1
   ATOM 1979 O A LEU A 135 ? 8.87985 23.57673 4.28125 0.754 10.27190 O ? A ? 123 O 1
   ATOM 1980 CB A LEU A 135 ? 10.24896 24.11932 1.33890 0.754 8.31547 C ? A ? 123 CB 1
   ATOM 1981 CG A LEU A 135 ? 11.34968 23.75058 0.33547 0.754 9.63917 C ? A ? 123 CG 1
   ATOM 1982 CD1 A LEU A 135 ? 11.68704 24.90901 -0.70166 0.754 11.01909 C ? A ? 123 CD1 1
   ATOM 1983 CD2 A LEU A 135 ? 12.60520 23.28742 1.04004 0.754 12.45248 C ? A ? 123 CD2 1
   ATOM 1984 N B LEU A 135 ? 9.19591 22.29925 0.92810 0.246 6.18320 N ? A ? 123 N 1
   ATOM 1985 CA B LEU A 135 ? 9.77447 23.29201 1.82952 0.246 2.63665 C ? A ? 123 CA 1
   ATOM 1986 C B LEU A 135 ? 8.74703 23.93269 2.77959 0.246 3.35912 C ? A ? 123 C 1
   ATOM 1987 O B LEU A 135 ? 9.04650 24.17721 3.96896 0.246 3.16579 O ? A ? 123 O 1
   ATOM 1988 CB B LEU A 135 ? 10.46720 24.38857 1.04323 0.246 5.82509 C ? A ? 123 CB 1
   ATOM 1989 CG B LEU A 135 ? 11.57734 23.88150 0.12095 0.246 9.57494 C ? A ? 123 CG 1
   ATOM 1990 CD1 B LEU A 135 ? 12.23597 25.05036 -0.58407 0.246 9.64893 C ? A ? 123 CD1 1
   ATOM 1991 CD2 B LEU A 135 ? 12.59683 23.04168 0.87791 0.246 12.39415 C ? A ? 123 CD2 1
   ATOM 1992 N A ASP A 136 ? 7.48060 23.87767 2.51749 0.754 8.13394 N ? A ? 124 N 1
   ATOM 1993 CA A ASP A 136 ? 6.52951 24.60871 3.36408 0.754 8.03931 C ? A ? 124 CA 1
   ATOM 1994 C A ASP A 136 ? 5.20444 24.67847 2.62403 0.754 8.97129 C ? A ? 124 C 1
   ATOM 1995 O A ASP A 136 ? 5.11985 24.39784 1.42654 0.754 7.45364 O ? A ? 124 O 1
   ATOM 1996 CB A ASP A 136 ? 7.00670 26.02512 3.68159 0.754 9.12195 C ? A ? 124 CB 1
   ATOM 1997 CG A ASP A 136 ? 6.56601 26.50625 5.05310 0.754 13.08711 C ? A ? 124 CG 1
   ATOM 1998 OD1 A ASP A 136 ? 5.61640 25.98479 5.64097 0.754 9.06537 O ? A ? 124 OD1 1
   ATOM 1999 OD2 A ASP A 136 ? 7.23220 27.44507 5.52673 0.754 18.02782 O ? A ? 124 OD2 1
   ATOM 2000 N B ASP A 136 ? 7.53179 24.20199 2.29958 0.246 5.54542 N ? A ? 124 N 1
   ATOM 2001 CA B ASP A 136 ? 6.59668 24.96769 3.13420 0.246 5.61836 C ? A ? 124 CA 1
   ATOM 2002 C B ASP A 136 ? 5.20931 24.91664 2.50421 0.246 8.31526 C ? A ? 124 C 1
   ATOM 2003 O B ASP A 136 ? 5.08819 24.72118 1.27487 0.246 7.41494 O ? A ? 124 O 1
   ATOM 2004 CB B ASP A 136 ? 7.04678 26.42789 3.31364 0.246 7.42077 C ? A ? 124 CB 1
   ATOM 2005 CG B ASP A 136 ? 6.39784 27.09972 4.51328 0.246 6.42830 C ? A ? 124 CG 1
   ATOM 2006 OD1 B ASP A 136 ? 5.64510 26.47025 5.25910 0.246 4.65070 O ? A ? 124 OD1 1
   ATOM 2007 OD2 B ASP A 136 ? 6.62364 28.28111 4.73582 0.246 5.59165 O ? A ? 124 OD2 1
   ATOM 2008 N . PHE A 137 ? 4.15967 25.07181 3.34371 1.000 8.70673 N ? A ? 125 N 1
   ATOM 2009 CA . PHE A 137 ? 2.83147 25.28612 2.77547 1.000 8.39867 C ? A ? 125 CA 1
   ATOM 2010 C . PHE A 137 ? 2.05432 26.19957 3.70278 1.000 9.92437 C ? A ? 125 C 1
   ATOM 2011 O . PHE A 137 ? 2.23998 26.14901 4.92746 1.000 12.92734 O ? A ? 125 O 1
   ATOM 2012 CB . PHE A 137 ? 2.06060 24.01709 2.43520 1.000 9.25595 C ? A ? 125 CB 1
   ATOM 2013 CG . PHE A 137 ? 1.95028 23.03457 3.56719 1.000 11.95307 C ? A ? 125 CG 1
   ATOM 2014 CD1 . PHE A 137 ? 2.93319 22.05583 3.77095 1.000 10.76235 C ? A ? 125 CD1 1
   ATOM 2015 CD2 . PHE A 137 ? 0.85629 23.01339 4.41823 1.000 17.62451 C ? A ? 125 CD2 1
   ATOM 2016 CE1 . PHE A 137 ? 2.82351 21.04548 4.77640 1.000 15.19940 C ? A ? 125 CE1 1
   ATOM 2017 CE2 . PHE A 137 ? 0.75673 22.01009 5.45432 1.000 17.10706 C ? A ? 125 CE2 1
   ATOM 2018 CZ . PHE A 137 ? 1.73728 21.04867 5.60628 1.000 14.36205 C ? A ? 125 CZ 1
   ATOM 2019 N . LYS A 138 ? 1.14418 26.94404 3.12886 1.000 9.16007 N ? A ? 126 N 1
   ATOM 2020 CA . LYS A 138 ? 0.33639 27.86398 3.93841 1.000 11.35465 C ? A ? 126 CA 1
   ATOM 2021 C . LYS A 138 ? -1.05168 28.03884 3.34329 1.000 13.93209 C ? A ? 126 C 1
   ATOM 2022 O . LYS A 138 ? -1.20917 28.11035 2.11221 1.000 13.71639 O ? A ? 126 O 1
   ATOM 2023 CB . LYS A 138 ? 1.05246 29.17494 4.22806 1.000 14.96583 C ? A ? 126 CB 1
   ATOM 2024 CG . LYS A 138 ? 1.17764 30.01206 3.01804 1.000 21.36372 C ? A ? 126 CG 1
   ATOM 2025 CD . LYS A 138 ? 1.91547 31.31831 3.27631 1.000 37.85705 C ? A ? 126 CD 1
   ATOM 2026 CE . LYS A 138 ? 1.92870 32.15734 2.01710 1.000 30.79084 C ? A ? 126 CE 1
   ATOM 2027 NZ . LYS A 138 ? 2.47708 33.51930 2.27350 1.000 45.64367 N ? A ? 126 NZ 1
   ATOM 2028 N . GLY A 139 ? -2.07350 28.12188 4.20563 1.000 14.30191 N ? A ? 127 N 1
   ATOM 2029 CA . GLY A 139 ? -3.41803 28.38313 3.73165 1.000 19.15941 C ? A ? 127 CA 1
   ATOM 2030 C . GLY A 139 ? -3.67675 29.87025 3.53729 1.000 32.53951 C ? A ? 127 C 1
   ATOM 2031 O . GLY A 139 ? -2.83734 30.70418 3.85742 1.000 33.24552 O ? A ? 127 O 1
   ATOM 2032 N . GLU A 140 ? -4.86089 30.18951 3.01086 1.000 36.20801 N ? A ? 128 N 1
   ATOM 2033 CA . GLU A 140 ? -5.21223 31.57764 2.68453 1.000 51.13139 C ? A ? 128 CA 1
   ATOM 2034 C . GLU A 140 ? -5.17132 32.46651 3.92407 1.000 51.67107 C ? A ? 128 C 1
   ATOM 2035 O . GLU A 140 ? -5.24562 31.96751 5.05014 1.000 64.03460 O ? A ? 128 O 1
   ATOM 2036 CB . GLU A 140 ? -6.59209 31.65341 2.01559 1.000 50.81134 C ? A ? 128 CB 1
   ATOM 2037 CG . GLU A 140 ? -7.69130 32.31649 2.86322 1.000 62.83307 C ? A ? 128 CG 1
   ATOM 2038 CD . GLU A 140 ? -8.10441 31.47249 4.06729 1.000 78.11511 C ? A ? 128 CD 1
   ATOM 2039 OE1 . GLU A 140 ? -7.63004 30.32117 4.15851 1.000 83.60878 O ? A ? 128 OE1 1
   ATOM 2040 OE2 . GLU A 140 ? -8.88334 31.96325 4.92303 1.000 77.77287 O ? A ? 128 OE2 1
   HETATM 2041 N . S8N A 201 ? 7.28329 20.51645 -14.40324 1.000 6.66463 N ? B ? . N 1
   HETATM 2042 CA . S8N A 201 ? 5.91981 20.14587 -14.01101 1.000 7.71957 C ? B ? . CA 1
   HETATM 2043 C . S8N A 201 ? 4.77446 21.02381 -14.47995 1.000 6.59114 C ? B ? . C 1
   HETATM 2044 O . S8N A 201 ? 3.66154 20.95576 -14.07644 1.000 8.25963 O ? B ? . O 1
   HETATM 2045 CB . S8N A 201 ? 5.82293 19.97744 -12.49491 1.000 7.44245 C ? B ? . CB 1
   HETATM 2046 CAA . S8N A 201 ? -0.84547 21.80477 -16.70433 1.000 7.91526 C ? B ? . CAA 1
   HETATM 2047 CAB . S8N A 201 ? -0.02996 21.27627 -17.69507 1.000 7.24323 C ? B ? . CAB 1
   HETATM 2048 CAC . S8N A 201 ? 1.18380 21.88556 -18.03127 1.000 8.86595 C ? B ? . CAC 1
   HETATM 2049 CAD . S8N A 201 ? 1.54808 23.09047 -17.38820 1.000 7.22714 C ? B ? . CAD 1
   HETATM 2050 CAE . S8N A 201 ? 0.73165 23.58597 -16.42415 1.000 7.67117 C ? B ? . CAE 1
   HETATM 2051 CAF . S8N A 201 ? -0.46010 22.96806 -16.05913 1.000 8.94312 C ? B ? . CAF 1
   HETATM 2052 CAI . S8N A 201 ? -2.97842 21.72366 -15.68955 1.000 10.18848 C ? B ? . CAI 1
   HETATM 2053 CAJ . S8N A 201 ? 0.24688 19.56186 -19.31298 1.000 9.64474 C ? B ? . CAJ 1
   HETATM 2054 CAK . S8N A 201 ? 2.85281 23.73830 -17.80750 1.000 7.03430 C ? B ? . CAK 1
   HETATM 2055 CAL . S8N A 201 ? 4.09420 22.96523 -17.31967 1.000 8.13314 C ? B ? . CAL 1
   HETATM 2056 CAM . S8N A 201 ? 4.15320 22.93722 -15.81425 1.000 6.98793 C ? B ? . CAM 1
   HETATM 2057 CAN . S8N A 201 ? 4.58333 24.20627 -15.14718 1.000 7.93418 C ? B ? . CAN 1
   HETATM 2058 CAP . S8N A 201 ? 5.81254 24.73591 -15.48141 1.000 7.67411 C ? B ? . CAP 1
   HETATM 2059 CAQ . S8N A 201 ? 6.19448 25.89027 -14.83373 1.000 7.71569 C ? B ? . CAQ 1
   HETATM 2060 CAR . S8N A 201 ? 5.43112 26.46744 -13.75353 1.000 7.97493 C ? B ? . CAR 1
   HETATM 2061 CAS . S8N A 201 ? 4.22452 25.87615 -13.48543 1.000 6.47038 C ? B ? . CAS 1
   HETATM 2062 CAT . S8N A 201 ? 3.81396 24.78686 -14.15303 1.000 7.79545 C ? B ? . CAT 1
   HETATM 2063 CAV . S8N A 201 ? 7.98139 26.10092 -16.35788 1.000 9.17880 C ? B ? . CAV 1
   HETATM 2064 CAW . S8N A 201 ? 8.97258 24.91461 -16.07488 1.000 7.37747 C ? B ? . CAW 1
   HETATM 2065 CBC . S8N A 201 ? 6.26117 21.30025 -11.81640 1.000 8.04568 C ? B ? . CBC 1
   HETATM 2066 CBD . S8N A 201 ? 7.67771 21.57193 -12.19538 1.000 7.25558 C ? B ? . CBD 1
   HETATM 2067 CBE . S8N A 201 ? 7.90633 21.66628 -13.67519 1.000 6.71343 C ? B ? . CBE 1
   HETATM 2068 CBG . S8N A 201 ? 7.78755 19.94226 -15.48512 1.000 5.60345 C ? B ? . CBG 1
   HETATM 2069 CBH . S8N A 201 ? 9.25151 20.24851 -15.81969 1.000 7.94814 C ? B ? . CBH 1
   HETATM 2070 CBK . S8N A 201 ? 10.48302 22.35340 -15.95758 1.000 7.32323 C ? B ? . CBK 1
   HETATM 2071 CBL . S8N A 201 ? 9.88595 19.14802 -16.76955 1.000 7.85572 C ? B ? . CBL 1
   HETATM 2072 CBM . S8N A 201 ? 9.89693 17.76456 -16.08752 1.000 7.80043 C ? B ? . CBM 1
   HETATM 2073 CBN . S8N A 201 ? 10.42710 16.69142 -17.03650 1.000 7.58347 C ? B ? . CBN 1
   HETATM 2074 CBO . S8N A 201 ? 11.77935 17.00591 -17.66904 1.000 8.61862 C ? B ? . CBO 1
   HETATM 2075 CBP . S8N A 201 ? 11.79896 18.39055 -18.26466 1.000 8.22298 C ? B ? . CBP 1
   HETATM 2076 CBQ . S8N A 201 ? 11.29509 19.47327 -17.29629 1.000 7.63154 C ? B ? . CBQ 1
   HETATM 2077 CBR . S8N A 201 ? 10.78987 23.60268 -16.80299 1.000 7.51473 C ? B ? . CBR 1
   HETATM 2078 CBU . S8N A 201 ? 9.53446 25.07053 -18.43750 1.000 8.47976 C ? B ? . CBU 1
   HETATM 2079 CBV . S8N A 201 ? 11.86168 24.45203 -16.11535 1.000 9.62719 C ? B ? . CBV 1
   HETATM 2080 CBW . S8N A 201 ? 11.49283 23.05136 -18.05633 1.000 8.02832 C ? B ? . CBW 1
   HETATM 2081 NBJ . S8N A 201 ? 9.47811 21.58489 -16.39776 1.000 5.63649 N ? B ? . NBJ 1
   HETATM 2082 NBS . S8N A 201 ? 9.64687 24.45817 -17.11524 1.000 7.01650 N ? B ? . NBS 1
   HETATM 2083 OAG . S8N A 201 ? -1.99184 21.10612 -16.46270 1.000 9.42098 O ? B ? . OAG 1
   HETATM 2084 OAH . S8N A 201 ? -0.49040 20.13046 -18.25951 1.000 8.72886 O ? B ? . OAH 1
   HETATM 2085 OAO . S8N A 201 ? 5.13750 21.90925 -15.40493 1.000 8.10226 O ? B ? . OAO 1
   HETATM 2086 OAU . S8N A 201 ? 7.38124 26.54329 -15.14540 1.000 8.38867 O ? B ? . OAU 1
   HETATM 2087 OAX . S8N A 201 ? 9.11855 24.47411 -14.91464 1.000 7.80941 O ? B ? . OAX 1
   HETATM 2088 OBI . S8N A 201 ? 7.20951 19.12838 -16.16797 1.000 6.26185 O ? B ? . OBI 1
   HETATM 2089 OBT . S8N A 201 ? 11.18791 22.02389 -14.97491 1.000 7.39410 O ? B ? . OBT 1
   HETATM 2090 O A HOH A 301 ? 15.00086 10.81048 -6.99991 0.479 14.02076 O ? C ? . O 1
   HETATM 2092 O . HOH A 305 ? 16.22567 7.12573 1.65896 0.997 23.48085 O ? C ? . O 1
   HETATM 2093 O . HOH A 306 ? 17.39752 16.36361 -2.76461 0.575 11.45448 O ? C ? . O 1
   HETATM 2097 O . HOH A 310 ? 18.80992 13.08176 -5.29535 0.554 14.41887 O ? C ? . O 1
   HETATM 2099 O . HOH A 312 ? 10.52555 6.98176 -20.05005 0.480 12.07771 O ? C ? . O 1
   HETATM 2100 O . HOH A 313 ? 3.27630 10.39770 13.02287 0.829 27.02066 O ? C ? . O 1
   HETATM 2101 O . HOH A 314 ? -5.74607 25.16482 4.27458 0.714 23.22974 O ? C ? . O 1
   HETATM 2102 O . HOH A 315 ? 3.72508 11.42576 3.43437 0.594 10.24246 O ? C ? . O 1
   HETATM 2103 O . HOH A 316 ? -0.58503 8.39003 13.67492 0.575 11.85651 O ? C ? . O 1
   HETATM 2104 O . HOH A 317 ? -4.46484 5.41023 -4.32634 0.623 8.43160 O ? C ? . O 1
   HETATM 2105 O . HOH A 318 ? -2.56852 4.57209 -1.75405 0.719 18.71032 O ? C ? . O 1
   HETATM 2106 O . HOH A 319 ? 16.21976 7.56160 -15.50760 0.546 13.28402 O ? C ? . O 1
   HETATM 2107 O . HOH A 320 ? 19.29007 10.84749 -13.18376 0.800 16.08164 O ? C ? . O 1
   HETATM 2108 O . HOH A 321 ? 10.04296 31.45622 -5.35208 0.616 10.44884 O ? C ? . O 1
   HETATM 2109 O . HOH A 322 ? 4.73832 33.47598 -1.46092 0.932 31.17198 O ? C ? . O 1
   HETATM 2111 O . HOH A 324 ? 4.39486 4.44179 -18.09177 0.860 15.18699 O ? C ? . O 1
   HETATM 2112 O . HOH A 325 ? -2.92356 23.65032 5.48162 0.512 12.69031 O ? C ? . O 1
   HETATM 2114 O . HOH A 327 ? 3.81339 18.06736 7.87402 0.712 8.39892 O ? C ? . O 1
   HETATM 2115 O . HOH A 328 ? 0.93859 19.76340 -23.43201 0.768 17.60668 O ? C ? . O 1
   HETATM 2118 O . HOH A 331 ? 13.88575 21.53348 -14.53487 0.734 7.06724 O ? C ? . O 1
   HETATM 2119 O . HOH A 332 ? -2.59664 21.15864 6.56684 0.602 12.72497 O ? C ? . O 1
   HETATM 2120 O . HOH A 335 ? -3.91352 29.72513 -0.29759 0.664 19.19308 O ? C ? . O 1
   HETATM 2126 O . HOH A 342 ? 7.21849 11.87717 5.29527 0.691 8.58529 O ? C ? . O 1
   HETATM 2127 O . HOH A 343 ? 4.28083 33.47513 -4.19687 0.903 32.44094 O ? C ? . O 1
   HETATM 2128 O . HOH A 344 ? 3.13993 16.23696 -30.12012 0.718 15.30544 O ? C ? . O 1
   HETATM 2129 O . HOH A 345 ? -0.87946 30.61910 -7.08137 0.674 11.46348 O ? C ? . O 1
   HETATM 2130 O . HOH A 346 ? 0.14891 11.08937 3.03350 0.562 13.12126 O ? C ? . O 1
   HETATM 2132 O . HOH A 348 ? -3.18445 0.06048 -7.28358 0.692 7.17963 O ? C ? . O 1
   HETATM 2134 O . HOH A 350 ? -6.79728 8.84633 -10.81556 0.763 6.85533 O ? C ? . O 1
   HETATM 2135 O . HOH A 351 ? 4.22498 6.49621 -0.50798 0.559 10.69933 O ? C ? . O 1
   HETATM 2137 O . HOH A 353 ? 3.22947 8.62703 1.19141 0.867 15.68670 O ? C ? . O 1
   HETATM 2139 O . HOH A 355 ? 4.30256 22.93988 -21.42940 0.637 7.81547 O ? C ? . O 1
   HETATM 2141 O . HOH A 357 ? -0.75541 -0.90089 -6.84053 0.631 8.24455 O ? C ? . O 1
   HETATM 2142 O . HOH A 358 ? -8.65777 19.69375 -7.11911 0.646 10.40605 O ? C ? . O 1
   HETATM 2143 O . HOH A 360 ? 15.07832 10.11337 -22.37630 0.633 13.01191 O ? C ? . O 1
   HETATM 2144 O . HOH A 361 ? 5.13650 29.58431 6.31561 0.662 12.68794 O ? C ? . O 1
   HETATM 2145 O . HOH A 362 ? -3.36944 19.48915 -12.24384 0.651 8.52672 O ? C ? . O 1
   HETATM 2147 O . HOH A 364 ? 0.00390 9.49985 -24.51368 0.730 10.98741 O ? C ? . O 1
   HETATM 2148 O . HOH A 365 ? -5.98875 24.04136 -15.13285 0.749 14.57081 O ? C ? . O 1
   HETATM 2151 O . HOH A 368 ? -3.54757 17.61890 6.79280 0.617 12.22201 O ? C ? . O 1
   HETATM 2152 O . HOH A 369 ? 3.80429 -0.39354 -11.89052 0.662 8.53772 O ? C ? . O 1
   HETATM 2154 O . HOH A 371 ? -2.75414 26.10697 -15.48626 0.650 12.21185 O ? C ? . O 1
   HETATM 2156 O . HOH A 373 ? 15.91906 18.84302 -2.65422 0.600 17.19334 O ? C ? . O 1
   HETATM 2157 O . HOH A 374 ? 4.35402 27.55038 -10.38466 0.586 8.94843 O ? C ? . O 1
   HETATM 2159 O . HOH A 376 ? 7.87490 9.38999 -25.14530 0.635 20.68446 O ? C ? . O 1
   HETATM 2163 O . HOH A 380 ? 11.76296 20.49139 3.20268 0.499 10.70501 O ? C ? . O 1
   HETATM 2164 O . HOH A 381 ? 20.53051 17.47238 -17.76653 0.607 22.66674 O ? C ? . O 1
   HETATM 2165 O . HOH A 382 ? 14.32339 23.02094 -7.23623 0.631 6.62239 O ? C ? . O 1
   HETATM 2166 O . HOH A 383 ? 2.77485 28.26977 6.83972 0.737 18.32785 O ? C ? . O 1
   HETATM 2167 O . HOH A 384 ? 9.87171 5.01677 1.97951 0.664 13.86784 O ? C ? . O 1
   HETATM 2168 O . HOH A 385 ? -4.39371 17.64879 4.16148 0.516 9.53785 O ? C ? . O 1
   HETATM 2169 O . HOH A 386 ? 3.43292 5.43519 -12.93647 0.650 5.63271 O ? C ? . O 1
   HETATM 2170 O . HOH A 387 ? 17.59318 12.12756 0.39489 0.616 6.54660 O ? C ? . O 1
   HETATM 2171 O . HOH A 388 ? 16.72778 24.12841 -21.31726 0.715 14.54005 O ? C ? . O 1
   HETATM 2172 O . HOH A 389 ? -10.26164 3.22605 -12.38182 0.508 10.09957 O ? C ? . O 1
   HETATM 2173 O . HOH A 390 ? -5.68212 28.93521 -3.97237 0.717 16.52748 O ? C ? . O 1
   HETATM 2174 O . HOH A 391 ? 15.13055 18.06583 -20.74855 0.587 19.04313 O ? C ? . O 1
   HETATM 2176 O . HOH A 393 ? -5.99939 10.51022 -8.65284 0.671 8.12358 O ? C ? . O 1
   HETATM 2177 O . HOH A 394 ? -3.05321 18.65823 -17.60252 0.735 9.80312 O ? C ? . O 1
   HETATM 2178 O . HOH A 395 ? -1.84866 27.69591 7.07370 0.609 17.16594 O ? C ? . O 1
   HETATM 2179 O . HOH A 396 ? 16.54870 15.53419 -18.36227 0.671 14.65709 O ? C ? . O 1
   HETATM 2180 O . HOH A 397 ? -0.92390 17.92542 -22.57322 0.670 14.27557 O ? C ? . O 1
   HETATM 2182 O . HOH A 399 ? -0.06414 0.69025 -4.17004 0.898 15.60792 O ? C ? . O 1
   HETATM 2184 O . HOH A 402 ? 7.61624 6.99888 -24.20297 0.613 24.97332 O ? C ? . O 1
   HETATM 2185 O . HOH A 404 ? 17.29161 7.65161 -0.58634 0.694 9.45780 O ? C ? . O 1
   HETATM 2186 O . HOH A 405 ? 8.68536 7.98591 -21.66697 0.829 16.28061 O ? C ? . O 1
   HETATM 2187 O . HOH A 406 ? 7.18509 5.25565 0.73697 0.704 13.49187 O ? C ? . O 1
   HETATM 2188 O . HOH A 407 ? 13.48538 16.09871 -20.97231 0.531 11.31008 O ? C ? . O 1
   HETATM 2189 O . HOH A 408 ? 10.38083 26.13139 -12.77812 0.710 13.77596 O ? C ? . O 1
   HETATM 2190 O . HOH A 409 ? 19.08126 19.94336 -18.50040 0.571 16.84952 O ? C ? . O 1
   HETATM 2191 O . HOH A 412 ? -5.33642 18.79884 -16.19851 0.654 19.39049 O ? C ? . O 1
   HETATM 2193 O . HOH A 414 ? -2.30437 15.51244 -24.75046 0.805 17.86946 O ? C ? . O 1
   HETATM 2194 O . HOH A 415 ? -4.99044 3.17265 -0.94778 0.791 19.52680 O ? C ? . O 1
   HETATM 2195 O . HOH A 416 ? 6.98965 13.43688 -29.63443 0.657 9.86084 O ? C ? . O 1
   HETATM 2196 O . HOH A 417 ? 10.46355 29.01028 -8.96505 0.644 12.25105 O ? C ? . O 1
   HETATM 2198 O . HOH A 419 ? 1.24235 34.54300 -0.25053 0.818 22.26881 O ? C ? . O 1
   HETATM 2201 O . HOH A 422 ? 7.59940 29.27720 -8.70313 0.773 10.14004 O ? C ? . O 1
   HETATM 2202 O . HOH A 423 ? -2.06262 15.72961 -20.52224 0.657 17.74701 O ? C ? . O 1
   HETATM 2205 O . HOH A 426 ? 0.53529 30.48330 -9.25577 0.568 14.48903 O ? C ? . O 1
   HETATM 2206 O . HOH A 427 ? 16.95704 31.99979 -4.25512 0.621 15.40554 O ? C ? . O 1
   HETATM 2207 O . HOH A 428 ? -2.05321 14.91113 -29.55909 0.718 25.95198 O ? C ? . O 1
   HETATM 2208 O . HOH A 430 ? 14.53380 9.94635 6.13312 0.695 12.25833 O ? C ? . O 1
   HETATM 2209 O . HOH A 431 ? 17.36621 17.75092 -19.56734 0.590 19.82271 O ? C ? . O 1
   HETATM 2212 O . HOH A 434 ? 11.70221 13.12940 10.01967 0.617 15.55390 O ? C ? . O 1
   HETATM 2213 O . HOH A 435 ? 3.83069 22.80493 -25.79010 0.767 19.80571 O ? C ? . O 1
   HETATM 2214 O . HOH A 436 ? 16.83324 8.39814 -10.72121 0.682 16.81447 O ? C ? . O 1
   HETATM 2215 O . HOH A 437 ? 15.65788 3.08102 -13.35567 0.597 16.38250 O ? C ? . O 1
   HETATM 2216 O . HOH A 438 ? 10.50270 2.63757 -14.58438 0.793 17.51277 O ? C ? . O 1
   HETATM 2220 O . HOH A 442 ? 14.51904 17.94821 -5.12346 0.856 20.63383 O ? C ? . O 1
   HETATM 2222 O . HOH A 447 ? 3.97722 8.84532 4.16106 0.976 25.31759 O ? C ? . O 1
   HETATM 2225 O . HOH A 450 ? 19.70029 12.87293 -2.69359 0.531 8.59367 O ? C ? . O 1
   HETATM 2226 O . HOH A 451 ? -8.80057 10.31509 -11.90126 0.651 13.07831 O ? C ? . O 1
   HETATM 2227 O . HOH A 452 ? -7.75294 12.75444 -8.08828 0.665 12.68018 O ? C ? . O 1
   HETATM 2228 O . HOH A 453 ? 0.30200 8.38414 0.10139 0.547 17.40819 O ? C ? . O 1
   HETATM 2229 O . HOH A 454 ? 9.09274 28.50310 -12.27093 0.999 28.84343 O ? C ? . O 1
   HETATM 2230 O . HOH A 455 ? 3.60667 33.97464 5.72040 0.653 23.43597 O ? C ? . O 1
   HETATM 2234 O . HOH A 459 ? 17.08869 9.71573 -8.18342 0.547 12.68862 O ? C ? . O 1
   HETATM 2235 O . HOH A 460 ? 6.20363 9.30168 5.86687 0.782 16.54393 O ? C ? . O 1
   HETATM 2236 O . HOH A 461 ? -1.66015 9.82069 -22.36296 0.665 10.29995 O ? C ? . O 1
   HETATM 2238 O . HOH A 463 ? 14.09667 2.12332 -15.33949 0.767 21.97802 O ? C ? . O 1
   HETATM 2239 O . HOH A 464 ? 11.88361 26.80796 -9.97702 0.544 14.58013 O ? C ? . O 1
   HETATM 2241 O . HOH A 468 ? 5.49743 32.00526 5.36208 0.698 30.56147 O ? C ? . O 1
   HETATM 2242 O . HOH A 469 ? -5.94150 29.29226 -6.76115 0.673 17.79495 O ? C ? . O 1
   HETATM 2243 O . HOH A 470 ? 19.32653 10.52893 -6.50101 0.637 13.30378 O ? C ? . O 1
   HETATM 2244 O . HOH A 471 ? -10.65608 2.56322 -5.31312 0.875 17.73807 O ? C ? . O 1
   HETATM 2245 O . HOH A 472 ? 2.15668 28.66923 -11.54121 0.621 8.40913 O ? C ? . O 1
   HETATM 2247 O . HOH A 474 ? -4.30595 6.60662 -1.26235 0.527 14.02322 O ? C ? . O 1
   HETATM 2250 O . HOH A 477 ? -6.45698 17.86325 -6.85110 0.842 16.93615 O ? C ? . O 1
   HETATM 2251 O . HOH A 478 ? 9.92658 6.20495 4.49372 0.809 17.75296 O ? C ? . O 1
   HETATM 2252 O . HOH A 479 ? 1.78588 21.80095 -21.67081 0.605 11.55646 O ? C ? . O 1
   HETATM 2253 O . HOH A 480 ? -11.06456 20.39080 -6.64373 0.594 14.85163 O ? C ? . O 1
   HETATM 2255 O . HOH A 482 ? -3.52414 0.23938 -4.57101 0.591 12.23885 O ? C ? . O 1
   HETATM 2258 O . HOH A 485 ? 12.22202 27.92046 -14.16504 0.754 17.72872 O ? C ? . O 1
   HETATM 2259 O . HOH A 486 ? -5.69005 19.26014 -13.67678 0.594 16.32640 O ? C ? . O 1
   HETATM 2260 O . HOH A 488 ? 11.18215 32.29643 -1.27103 0.577 14.57752 O ? C ? . O 1
   HETATM 2261 O . HOH A 489 ? -2.48266 8.83967 -1.02722 0.692 10.08442 O ? C ? . O 1
   HETATM 2262 O . HOH A 490 ? 6.68070 28.86014 -11.40712 0.606 9.34669 O ? C ? . O 1
   HETATM 2263 O . HOH A 491 ? -3.69539 11.65648 -21.72357 0.539 12.62897 O ? C ? . O 1
   HETATM 2265 O . HOH A 493 ? -7.13686 7.48907 -17.73931 0.668 19.13654 O ? C ? . O 1
   HETATM 2266 O . HOH A 494 ? 17.22636 6.88315 4.64563 0.730 13.23898 O ? C ? . O 1
   HETATM 2267 O . HOH A 495 ? 7.12030 33.35836 -2.70650 0.639 22.52217 O ? C ? . O 1
   HETATM 2268 O . HOH A 496 ? 20.29865 17.34155 -11.16518 0.679 18.27135 O ? C ? . O 1
   HETATM 2271 O . HOH A 501 ? -8.43880 -0.48896 -3.60736 0.742 19.07269 O ? C ? . O 1
   HETATM 2273 O . HOH A 503 ? 11.91198 9.88249 -25.41407 0.662 21.08999 O ? C ? . O 1
   HETATM 2275 O . HOH A 505 ? 12.15782 23.95037 -23.57963 0.572 8.88402 O ? C ? . O 1
   HETATM 2276 O . HOH A 506 ? -8.72826 -0.97642 -7.64504 0.674 16.38094 O ? C ? . O 1
   HETATM 2280 O . HOH A 511 ? 9.84676 14.05455 -29.68781 0.633 15.42945 O ? C ? . O 1
   HETATM 2281 O . HOH A 512 ? 14.29070 11.40720 -24.91239 0.631 18.37810 O ? C ? . O 1
   HETATM 2283 O . HOH A 514 ? 16.60855 35.82339 -1.65450 0.751 14.61593 O ? C ? . O 1
   HETATM 2284 O . HOH A 515 ? -11.90191 -0.15283 -8.44503 0.656 16.28682 O ? C ? . O 1
   HETATM 2285 O . HOH A 516 ? -3.45720 10.63950 0.92838 0.693 12.60507 O ? C ? . O 1
   HETATM 2286 O . HOH A 517 ? 7.54758 7.07279 5.14834 0.665 17.22863 O ? C ? . O 1
   HETATM 2287 O . HOH A 519 ? 23.80585 6.77836 -11.11966 0.729 16.71215 O ? C ? . O 1
   HETATM 2288 O . HOH A 520 ? 18.42603 30.12553 -20.09240 0.603 15.30532 O ? C ? . O 1
   HETATM 2289 O . HOH A 521 ? 20.17152 28.10468 -20.64763 0.824 24.24151 O ? C ? . O 1
   HETATM 2768 O . HOH S 522 ? -3.41727 10.32903 -3.18162 0.952 6.73602 O ? D ? . O 1
   HETATM 2769 O . HOH S 523 ? -3.55338 13.07660 -3.16466 1.000 7.19567 O ? D ? . O 1
   HETATM 2770 O . HOH S 524 ? -8.68900 -2.99979 -6.21749 0.997 14.25483 O ? D ? . O 1
   HETATM 2772 O . HOH S 526 ? 17.74703 22.60668 -11.80329 0.993 21.33247 O ? D ? . O 1
   HETATM 2774 O . HOH S 528 ? -9.04872 22.36029 0.92765 0.482 11.55643 O ? D ? . O 1
   HETATM 2776 O . HOH S 530 ? 10.75904 22.35408 -24.57979 0.697 18.91225 O ? D ? . O 1
   HETATM 2777 O . HOH S 531 ? -4.59835 31.97332 -1.48300 0.822 22.64352 O ? D ? . O 1
   HETATM 2779 O . HOH S 533 ? 6.50699 5.56043 3.28037 0.669 17.64293 O ? D ? . O 1
   HETATM 2780 O . HOH S 534 ? 17.95999 18.74264 -11.41381 0.591 12.77635 O ? D ? . O 1
   HETATM 2781 O . HOH S 535 ? -10.44074 0.30664 -4.62118 0.433 12.86864 O ? D ? . O 1
   HETATM 2790 O . HOH S 544 ? 5.25264 32.94917 3.11292 1.000 35.88953 O ? D ? . O 1
   HETATM 2791 O . HOH S 545 ? 14.53068 29.11366 -12.90104 0.999 26.56237 O ? D ? . O 1
   HETATM 2792 O . HOH S 546 ? -5.51035 0.77826 -2.88857 0.444 16.81522 O ? D ? . O 1
   HETATM 2798 O . HOH S 552 ? 17.38396 21.01820 -3.68803 0.777 28.11885 O ? D ? . O 1
   HETATM 2801 O . HOH S 555 ? 7.18292 10.70794 -30.42363 0.633 19.48300 O ? D ? . O 1
   HETATM 2803 O . HOH S 557 ? 9.83350 4.20972 -16.61281 0.911 30.13158 O ? D ? . O 1
   HETATM 2813 O . HOH S 567 ? 4.00436 13.09968 14.38292 0.998 45.51270 O ? D ? . O 1
   HETATM 2816 O . HOH S 570 ? -5.99245 10.22140 -21.43356 1.000 34.16543 O ? D ? . O 1
   HETATM 2819 O . HOH S 573 ? 4.23001 37.03213 5.26077 0.929 42.95876 O ? D ? . O 1
   HETATM 2828 O . HOH S 582 ? 7.51918 9.58169 -27.87344 0.422 14.62488 O ? D ? . O 1
   HETATM 2839 O . HOH S 584 ? -2.24772 23.41877 -8.98176 0.931 7.22247 O ? E ? . O 1
   HETATM 2840 O . HOH S 585 ? -5.34125 14.98922 -4.01075 0.918 8.36192 O ? E ? . O 1
   HETATM 2841 O . HOH S 586 ? -1.60101 16.65722 -16.31934 0.804 6.09854 O ? E ? . O 1
   HETATM 2842 O . HOH S 587 ? 14.61842 19.35615 -12.96816 0.921 7.73373 O ? E ? . O 1
   HETATM 2843 O . HOH S 588 ? 4.09006 13.37928 -20.27033 0.816 5.49626 O ? E ? . O 1
   HETATM 2844 O . HOH S 589 ? 7.72813 21.83220 -18.56297 0.943 8.81107 O ? E ? . O 1
   HETATM 2847 O . HOH S 592 ? 16.61444 22.63176 -5.84519 0.670 19.10384 O ? E ? . O 1
   HETATM 2849 O . HOH S 594 ? -3.40280 13.14206 -24.13965 0.798 21.32287 O ? E ? . O 1
   HETATM 2852 O . HOH S 597 ? 12.52180 20.74772 5.09095 0.323 8.58096 O ? E ? . O 1
   HETATM 2854 O . HOH S 599 ? 11.28740 16.30112 -28.84416 0.665 15.09458 O ? E ? . O 1
   HETATM 2859 O . HOH S 604 ? 12.50379 25.22768 -7.72532 0.336 11.09523 O ? E ? . O 1
   HETATM 2861 O . HOH S 606 ? 18.85973 31.73140 -2.22340 0.823 24.84845 O ? E ? . O 1
   HETATM 2871 O . HOH S 616 ? -2.49461 2.15561 -3.23638 0.394 12.33651 O ? E ? . O 1
   HETATM 2872 O . HOH S 617 ? 6.49070 12.26500 10.21913 0.737 26.07587 O ? E ? . O 1
   HETATM 2873 O . HOH S 618 ? -9.81468 18.59073 -9.46484 0.638 20.69306 O ? E ? . O 1
   HETATM 2875 O . HOH S 620 ? 11.24769 10.73236 11.59342 0.910 28.49552 O ? E ? . O 1
   HETATM 2891 O . HOH S 636 ? 4.63422 36.10134 -4.79037 0.654 42.59148 O ? E ? . O 1
   HETATM 2896 O . HOH S 641 ? -4.40467 23.40074 7.45211 0.385 14.45945 O ? E ? . O 1
   HETATM 2908 O . HOH S 653 ? 1.30866 6.75513 14.59143 0.550 25.71172 O ? E ? . O 1
   HETATM 2927 O . HOH S 655 ? -6.50493 -1.38030 -9.54522 0.941 7.56238 O ? F ? . O 1
   HETATM 2928 O . HOH S 656 ? -5.36536 5.69110 -16.61970 0.961 10.15853 O ? F ? . O 1
   HETATM 2929 O . HOH S 657 ? 14.69767 14.16918 -19.36728 0.965 10.97418 O ? F ? . O 1
   HETATM 2930 O . HOH S 658 ? -8.39039 19.71251 0.45894 0.765 13.22030 O ? F ? . O 1
   HETATM 2931 O . HOH S 659 ? 9.06194 31.40752 -2.59278 0.503 11.06249 O ? F ? . O 1
   HETATM 2939 O . HOH S 667 ? -11.10503 3.72462 -7.68386 0.516 18.33756 O ? F ? . O 1
   HETATM 2940 O . HOH S 668 ? 3.90276 30.81011 -8.68424 0.595 16.05030 O ? F ? . O 1
   HETATM 2945 O . HOH S 673 ? 6.52376 30.44988 2.96583 0.627 26.57685 O ? F ? . O 1
   HETATM 2946 O . HOH S 674 ? -9.77581 17.44845 -3.62136 0.380 16.33824 O ? F ? . O 1
   HETATM 2947 O . HOH S 675 ? 6.17504 35.97033 6.40738 0.644 29.61584 O ? F ? . O 1
   HETATM 2948 O . HOH S 676 ? -1.49354 30.94850 0.84020 0.731 27.70979 O ? F ? . O 1
   HETATM 2950 O . HOH S 678 ? 1.20768 9.23228 -28.60486 0.577 23.51822 O ? F ? . O 1
   HETATM 2952 O . HOH S 680 ? 17.06225 4.98723 -14.75365 0.488 16.73392 O ? F ? . O 1
   HETATM 2957 O . HOH S 685 ? 12.76852 33.76002 -3.22681 0.348 12.02177 O ? F ? . O 1
   HETATM 2960 O . HOH S 688 ? 2.08018 28.59538 -9.24681 0.289 12.62360 O ? F ? . O 1
   HETATM 2967 O . HOH S 695 ? -5.18382 18.70101 -10.89076 0.291 9.95118 O ? F ? . O 1
   HETATM 2973 O . HOH S 701 ? 4.25334 6.49096 2.85740 0.358 19.52049 O ? F ? . O 1
   HETATM 2997 O . HOH S 725 ? 12.72835 9.09765 9.91973 0.403 24.86402 O ? F ? . O 1
   HETATM 3021 O . HOH S 731 ? 18.99641 26.78938 -14.45682 0.943 34.06368 O ? G ? . O 1
   HETATM 3023 O . HOH S 733 ? -4.91733 0.03570 -0.48979 0.457 17.46492 O ? G ? . O 1
   HETATM 3034 O . HOH S 744 ? 18.23929 32.03447 -6.71704 0.435 19.61372 O ? G ? . O 1
   HETATM 3036 O . HOH S 746 ? 20.62654 0.29885 -7.21558 0.498 22.18523 O ? G ? . O 1
   HETATM 3043 O . HOH S 753 ? 10.43114 4.27722 -20.90974 0.460 17.74963 O ? G ? . O 1
   HETATM 3061 O . HOH S 771 ? -10.47072 25.20216 -2.45319 0.596 29.54608 O ? G ? . O 1
   HETATM 3064 O . HOH S 774 ? 2.37417 32.21009 -6.89914 0.566 23.56589 O ? G ? . O 1
   HETATM 3066 O . HOH S 776 ? 20.48949 15.61356 -19.81340 0.560 22.72317 O ? G ? . O 1
   HETATM 3103 O . HOH S 807 ? 20.74668 27.90490 -12.70974 0.414 26.51160 O ? H ? . O 1
   HETATM 3119 O . HOH S 823 ? 7.53818 3.01959 -15.77520 0.531 20.56658 O ? H ? . O 1
   HETATM 3121 O . HOH S 825 ? -3.59013 33.99665 -0.27738 0.409 23.09194 O ? H ? . O 1
   HETATM 3122 O . HOH S 826 ? 7.96207 3.50315 -20.10848 0.628 32.45509 O ? H ? . O 1
   HETATM 3123 O . HOH S 827 ? 20.56657 26.38836 -10.45800 0.486 26.97843 O ? H ? . O 1

data_comp_S8N
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
   S8N CAJ C CH3 0 -0.213 -0.4130 19.1645 -18.6638
   S8N OAH O O2 0 -0.307 -1.0820 19.9521 -17.6816
   S8N CAB C CR6 0 0.275 -0.5083 21.1288 -17.3072
   S8N CAC C CR16 0 -0.367 0.6876 21.6155 -17.8126
   S8N CAA C CR6 0 0.242 -1.2111 21.8767 -16.3345
   S8N OAG O O2 0 -0.309 -2.3721 21.3273 -15.8806
   S8N CAI C CH3 0 -0.210 -3.1021 22.0421 -14.8869
   S8N CAF C CR16 0 -0.259 -0.6920 23.0913 -15.9133
   S8N CAE C CR16 0 -0.263 0.5147 23.5670 -16.4351
   S8N CAD C CR6 0 0.092 1.2188 22.8385 -17.3792
   S8N CAK C CH2 0 -0.187 2.5537 23.3054 -17.9063
   S8N CAL C CH2 0 -0.212 3.7219 22.4200 -17.4474
   S8N CAM C CH1 0 0.184 3.8859 22.4112 -15.9347
   S8N OAO O O2 0 -0.273 4.9183 21.4151 -15.6467
   S8N C C C 0 0.238 4.8087 20.7118 -14.5191
   S8N O O O 0 -0.395 3.9041 20.8269 -13.7244
   S8N CA C CH1 0 0.072 5.9354 19.6861 -14.4009
   S8N CB C CH2 0 -0.170 5.9681 18.9894 -13.0373
   S8N CBC C CH2 0 -0.178 6.5233 19.8855 -11.9295
   S8N CBD C CH2 0 -0.177 7.8802 20.4646 -12.3291
   S8N CBE C CH2 0 -0.201 7.7791 21.1605 -13.6801
   S8N N N NT 0 -0.049 7.2473 20.2540 -14.7013
   S8N CBG C C 0 0.263 7.8662 19.9264 -15.8598
   S8N OBI O O 0 -0.473 7.2731 19.3747 -16.7870
   S8N CBH C CH1 0 0.013 9.3786 20.1940 -15.9577
   S8N CBL C CH1 0 -0.011 10.0680 19.0582 -16.7340
   S8N CBM C CH2 0 -0.258 9.8712 17.7219 -16.0037
   S8N CBN C CH2 0 -0.172 10.5482 16.5653 -16.7410
   S8N CBO C CH2 0 -0.162 12.0346 16.8393 -16.9695
   S8N CBP C CH2 0 -0.171 12.2407 18.1751 -17.6836
   S8N CBQ C CH2 0 -0.194 11.5637 19.3242 -16.9337
   S8N NBJ N NH1 0 -0.278 9.6111 21.5163 -16.5232
   S8N CBK C C 0 0.268 10.5337 22.3627 -16.0181
   S8N OBT O O 0 -0.466 11.1710 22.1199 -14.9979
   S8N CBR C CT 0 0.251 10.8556 23.6024 -16.8860
   S8N CBV C CH3 0 -0.423 11.7194 24.5985 -16.1076
   S8N CBW C CH3 0 -0.465 11.6643 23.0769 -18.0826
   S8N NBS N NT 0 -0.128 9.6049 24.2797 -17.3324
   S8N CBU C CH3 0 -0.328 9.5553 24.8443 -18.6807
   S8N CAW C C 0 0.299 8.7535 24.7041 -16.3626
   S8N OAX O O 0 -0.457 8.8154 24.3015 -15.2060
   S8N CAV C CH2 0 -0.161 7.7285 25.7760 -16.7524
   S8N OAU O O2 0 -0.290 6.9982 26.2351 -15.6339
   S8N CAQ C CR6 0 0.348 5.8779 25.5564 -15.2483
   S8N CAP C CR16 0 -0.377 5.4891 24.3314 -15.7755
   S8N CAN C CR6 0 0.090 4.3052 23.7317 -15.3426
   S8N CAT C CR16 0 -0.243 3.5258 24.3492 -14.3728
   S8N CAS C CR16 0 -0.112 3.9283 25.5722 -13.8386
   S8N CAR C CR16 0 -0.262 5.0964 26.1784 -14.2707
   S8N H1 H HCH3 0 0.148 -1.0351 18.2857 -18.8140
   S8N H2 H HCH3 0 0.136 -0.3141 19.7104 -19.6054
   S8N H3 H HCH3 0 0.137 0.5771 18.8589 -18.3164
   S8N H4 H HCR6 0 0.151 1.2279 21.0420 -18.5526
   S8N H5 H HCH3 0 0.147 -3.9739 21.4328 -14.6615
   S8N H6 H HCH3 0 0.135 -2.5049 22.1778 -13.9816
   S8N H7 H HCH3 0 0.135 -3.4231 23.0186 -15.2587
   S8N H8 H HCR6 0 0.148 -1.2167 23.6783 -15.1738
   S8N H9 H HCR6 0 0.144 0.9055 24.5131 -16.0827
   S8N H10 H HCH2 0 0.114 2.5436 23.3057 -18.9992
   S8N H11 H HCH2 0 0.127 2.7273 24.3355 -17.5894
   S8N H12 H HCH2 0 0.120 3.5524 21.3915 -17.7733
   S8N H13 H HCH2 0 0.117 4.6479 22.7601 -17.9154
   S8N H14 H HCH1 0 0.113 2.9655 22.0797 -15.4611
   S8N H15 H HCH1 0 0.116 5.7289 18.9534 -15.1822
   S8N H16 H HCH2 0 0.109 4.9637 18.6445 -12.7926
   S8N H17 H HCH2 0 0.109 6.6026 18.1062 -13.1451
   S8N H18 H HCH2 0 0.099 5.8244 20.7041 -11.7368
   S8N H19 H HCH2 0 0.109 6.6092 19.3137 -11.0034
   S8N H20 H HCH2 0 0.102 8.6274 19.6677 -12.3937
   S8N H21 H HCH2 0 0.108 8.2288 21.1834 -11.5843
   S8N H22 H HCH2 0 0.163 8.7337 21.5596 -14.0018
   S8N H23 H HCH2 0 0.131 7.0938 22.0127 -13.6077
   S8N H24 H HCH1 0 0.118 9.8124 20.2152 -14.9616
   S8N H25 H HCH1 0 0.046 9.5953 18.9888 -17.7187
   S8N H26 H HCH2 0 0.110 8.8084 17.5085 -15.8805
   S8N H27 H HCH2 0 0.093 10.2988 17.8092 -14.9975
   S8N H28 H HCH2 0 0.084 10.0547 16.4198 -17.7087
   S8N H29 H HCH2 0 0.098 10.4143 15.6380 -16.1776
   S8N H30 H HCH2 0 0.096 12.4874 16.0265 -17.5438
   S8N H31 H HCH2 0 0.082 12.5468 16.8676 -16.0007
   S8N H32 H HCH2 0 0.098 13.3076 18.3855 -17.7965
   S8N H33 H HCH2 0 0.084 11.8227 18.1113 -18.6949
   S8N H34 H HCH2 0 0.081 12.0404 19.4492 -15.9556
   S8N H35 H HCH2 0 0.116 11.7120 20.2552 -17.4800
   S8N H36 H HNH1 0 0.249 9.1478 21.7599 -17.3855
   S8N H37 H HCH3 0 0.131 11.2182 24.9307 -15.2021
   S8N H38 H HCH3 0 0.125 12.6681 24.1421 -15.8319
   S8N H39 H HCH3 0 0.135 11.9210 25.4613 -16.7440
   S8N H40 H HCH3 0 0.153 12.5203 22.5259 -17.6946
   S8N H41 H HCH3 0 0.157 11.0839 22.4049 -18.7132
   S8N H42 H HCH3 0 0.160 12.0421 23.8990 -18.6887
   S8N H43 H HCH3 0 0.159 8.5456 25.1609 -18.9173
   S8N H44 H HCH3 0 0.154 10.2277 25.6997 -18.7857
   S8N H45 H HCH3 0 0.163 9.8311 24.0872 -19.4080
   S8N H46 H HCH2 0 0.181 8.2658 26.6468 -17.1301
   S8N H47 H HCH2 0 0.188 7.0574 25.4295 -17.5405
   S8N H48 H HCR6 0 0.173 6.0973 23.8259 -16.5105
   S8N H49 H HCR6 0 0.146 2.6125 23.8771 -14.0364
   S8N H50 H HCR6 0 0.139 3.3239 26.0572 -13.0823
   S8N H51 H HCR6 0 0.131 5.4157 27.1321 -13.8706

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
   S8N CAJ OAH single 1.426 0.020 1.426
   S8N CBU NBS single 1.463 0.020 1.463
   S8N CBP CBO single 1.529 0.020 1.529
   S8N CBP CBQ single 1.530 0.020 1.530
   S8N OAH CAB single 1.362 0.020 1.362
   S8N CBW CBR single 1.537 0.020 1.537
   S8N CAC CAB aromatic 1.387 0.020 1.387
   S8N CAC CAD aromatic 1.402 0.020 1.402
   S8N CBO CBN single 1.529 0.020 1.529
   S8N CAB CAA aromatic 1.414 0.020 1.414
   S8N CAK CAD single 1.509 0.020 1.509
   S8N CAK CAL single 1.536 0.020 1.536
   S8N CBQ CBL single 1.532 0.020 1.532
   S8N CAD CAE aromatic 1.385 0.020 1.385
   S8N CAL CAM single 1.522 0.020 1.522
   S8N NBS CBR single 1.491 0.020 1.491
   S8N NBS CAW single 1.359 0.020 1.359
   S8N CBN CBM single 1.530 0.020 1.530
   S8N CBR CBV single 1.531 0.020 1.531
   S8N CBR CBK single 1.547 0.020 1.547
   S8N CBL CBM single 1.535 0.020 1.535
   S8N CBL CBH single 1.539 0.020 1.539
   S8N CAA OAG single 1.362 0.020 1.362
   S8N CAA CAF aromatic 1.386 0.020 1.386
   S8N CAV CAW single 1.533 0.020 1.533
   S8N CAV OAU single 1.412 0.020 1.412
   S8N NBJ CBK single 1.350 0.020 1.350
   S8N NBJ CBH single 1.457 0.020 1.457
   S8N OAG CAI single 1.425 0.020 1.425
   S8N CAE CAF aromatic 1.398 0.020 1.398
   S8N OBI CBG double 1.231 0.020 1.231
   S8N CAW OAX double 1.226 0.020 1.226
   S8N CBK OBT double 1.227 0.020 1.227
   S8N CBH CBG single 1.539 0.020 1.539
   S8N CAM OAO single 1.463 0.020 1.463
   S8N CAM CAN single 1.507 0.020 1.507
   S8N OAO C single 1.333 0.020 1.333
   S8N CAP CAN aromatic 1.396 0.020 1.396
   S8N CAP CAQ aromatic 1.389 0.020 1.389
   S8N CBG N single 1.354 0.020 1.354
   S8N OAU CAQ single 1.365 0.020 1.365
   S8N CAN CAT single 1.389 0.020 1.389
   S8N CAQ CAR single 1.398 0.020 1.398
   S8N C CA single 1.528 0.020 1.528
   S8N C O double 1.210 0.020 1.210
   S8N N CA single 1.461 0.020 1.461
   S8N N CBE single 1.465 0.020 1.465
   S8N CA CB single 1.532 0.020 1.532
   S8N CAT CAS aromatic 1.394 0.020 1.394
   S8N CAR CAS aromatic 1.385 0.020 1.385
   S8N CBE CBD single 1.523 0.020 1.523
   S8N CB CBC single 1.529 0.020 1.529
   S8N CBD CBC single 1.528 0.020 1.528
   S8N CAJ H1 single 0.970 0.020 1.090
   S8N CAJ H2 single 0.970 0.020 1.090
   S8N CAJ H3 single 0.970 0.020 1.090
   S8N CAC H4 single 0.930 0.020 1.080
   S8N CAI H5 single 0.970 0.020 1.090
   S8N CAI H6 single 0.970 0.020 1.090
   S8N CAI H7 single 0.970 0.020 1.090
   S8N CAF H8 single 0.930 0.020 1.080
   S8N CAE H9 single 0.930 0.020 1.080
   S8N CAK H10 single 0.970 0.020 1.090
   S8N CAK H11 single 0.970 0.020 1.090
   S8N CAL H12 single 0.970 0.020 1.090
   S8N CAL H13 single 0.970 0.020 1.090
   S8N CAM H14 single 0.970 0.020 1.090
   S8N CA H15 single 0.970 0.020 1.090
   S8N CB H16 single 0.970 0.020 1.090
   S8N CB H17 single 0.970 0.020 1.090
   S8N CBC H18 single 0.970 0.020 1.090
   S8N CBC H19 single 0.970 0.020 1.090
   S8N CBD H20 single 0.970 0.020 1.090
   S8N CBD H21 single 0.970 0.020 1.090
   S8N CBE H22 single 0.970 0.020 1.090
   S8N CBE H23 single 0.970 0.020 1.090
   S8N CBH H24 single 0.970 0.020 1.090
   S8N CBL H25 single 0.970 0.020 1.090
   S8N CBM H26 single 0.970 0.020 1.090
   S8N CBM H27 single 0.970 0.020 1.090
   S8N CBN H28 single 0.970 0.020 1.090
   S8N CBN H29 single 0.970 0.020 1.090
   S8N CBO H30 single 0.970 0.020 1.090
   S8N CBO H31 single 0.970 0.020 1.090
   S8N CBP H32 single 0.970 0.020 1.090
   S8N CBP H33 single 0.970 0.020 1.090
   S8N CBQ H34 single 0.970 0.020 1.090
   S8N CBQ H35 single 0.970 0.020 1.090
   S8N NBJ H36 single 0.860 0.020 1.020
   S8N CBV H37 single 0.970 0.020 1.090
   S8N CBV H38 single 0.970 0.020 1.090
   S8N CBV H39 single 0.970 0.020 1.090
   S8N CBW H40 single 0.970 0.020 1.090
   S8N CBW H41 single 0.970 0.020 1.090
   S8N CBW H42 single 0.970 0.020 1.090
   S8N CBU H43 single 0.970 0.020 1.090
   S8N CBU H44 single 0.970 0.020 1.090
   S8N CBU H45 single 0.970 0.020 1.090
   S8N CAV H46 single 0.970 0.020 1.090
   S8N CAV H47 single 0.970 0.020 1.090
   S8N CAP H48 single 0.930 0.020 1.080
   S8N CAT H49 single 0.930 0.020 1.080
   S8N CAS H50 single 0.930 0.020 1.080
   S8N CAR H51 single 0.930 0.020 1.080

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
   S8N H3 CAJ H2 109.37 3.000
   S8N H3 CAJ H1 109.65 3.000
   S8N H2 CAJ H1 109.66 3.000
   S8N H3 CAJ OAH 111.14 3.000
   S8N H2 CAJ OAH 111.11 3.000
   S8N H1 CAJ OAH 105.86 3.000
   S8N CAB OAH CAJ 117.98 3.000
   S8N CAA CAB CAC 119.59 3.000
   S8N CAA CAB OAH 115.90 3.000
   S8N CAC CAB OAH 124.51 3.000
   S8N H4 CAC CAD 119.01 3.000
   S8N H4 CAC CAB 119.64 3.000
   S8N CAD CAC CAB 121.35 3.000
   S8N CAF CAA OAG 124.84 3.000
   S8N CAF CAA CAB 119.09 3.000
   S8N OAG CAA CAB 116.07 3.000
   S8N CAI OAG CAA 117.81 3.000
   S8N H7 CAI H6 109.35 3.000
   S8N H7 CAI H5 109.61 3.000
   S8N H6 CAI H5 109.64 3.000
   S8N H7 CAI OAG 111.18 3.000
   S8N H6 CAI OAG 111.09 3.000
   S8N H5 CAI OAG 105.91 3.000
   S8N H8 CAF CAE 119.33 3.000
   S8N H8 CAF CAA 120.15 3.000
   S8N CAE CAF CAA 120.52 3.000
   S8N H9 CAE CAD 119.87 3.000
   S8N H9 CAE CAF 119.18 3.000
   S8N CAD CAE CAF 120.95 3.000
   S8N CAK CAD CAE 121.67 3.000
   S8N CAE CAD CAC 118.49 3.000
   S8N CAK CAD CAC 119.80 3.000
   S8N H11 CAK H10 106.94 3.000
   S8N H11 CAK CAL 109.65 3.000
   S8N H10 CAK CAL 107.82 3.000
   S8N H11 CAK CAD 109.34 3.000
   S8N H10 CAK CAD 109.95 3.000
   S8N CAL CAK CAD 112.96 3.000
   S8N H13 CAL H12 107.28 3.000
   S8N H13 CAL CAM 109.66 3.000
   S8N H12 CAL CAM 107.93 3.000
   S8N H13 CAL CAK 109.72 3.000
   S8N H12 CAL CAK 109.62 3.000
   S8N CAM CAL CAK 112.48 3.000
   S8N H14 CAM CAN 109.38 3.000
   S8N H14 CAM OAO 107.70 3.000
   S8N CAN CAM OAO 108.84 3.000
   S8N H14 CAM CAL 110.10 3.000
   S8N CAN CAM CAL 114.56 3.000
   S8N OAO CAM CAL 106.00 3.000
   S8N C OAO CAM 117.87 3.000
   S8N CA C O 124.36 3.000
   S8N O C OAO 124.53 3.000
   S8N CA C OAO 111.03 3.000
   S8N H15 CA N 106.48 3.000
   S8N H15 CA CB 109.65 3.000
   S8N N CA CB 109.92 3.000
   S8N H15 CA C 104.82 3.000
   S8N CB CA C 112.95 3.000
   S8N N CA C 112.66 3.000
   S8N H17 CB H16 107.55 3.000
   S8N H17 CB CBC 109.53 3.000
   S8N H16 CB CBC 110.94 3.000
   S8N H17 CB CA 106.99 3.000
   S8N H16 CB CA 108.92 3.000
   S8N CBC CB CA 112.71 3.000
   S8N H19 CBC H18 107.03 3.000
   S8N H19 CBC CBD 110.51 3.000
   S8N H18 CBC CBD 109.26 3.000
   S8N H19 CBC CB 109.64 3.000
   S8N H18 CBC CB 109.53 3.000
   S8N CBD CBC CB 110.79 3.000
   S8N H21 CBD H20 107.56 3.000
   S8N H21 CBD CBE 108.99 3.000
   S8N H20 CBD CBE 109.00 3.000
   S8N H21 CBD CBC 110.76 3.000
   S8N H20 CBD CBC 110.22 3.000
   S8N CBE CBD CBC 110.25 3.000
   S8N H23 CBE H22 106.50 3.000
   S8N H23 CBE N 107.47 3.000
   S8N H22 CBE N 109.92 3.000
   S8N H23 CBE CBD 109.77 3.000
   S8N H22 CBE CBD 111.91 3.000
   S8N N CBE CBD 111.08 3.000
   S8N CBG N CBE 125.46 3.000
   S8N CBE N CA 115.03 3.000
   S8N CBG N CA 119.51 3.000
   S8N CBH CBG OBI 120.23 3.000
   S8N CBH CBG N 117.49 3.000
   S8N OBI CBG N 122.19 3.000
   S8N H24 CBH NBJ 105.93 3.000
   S8N H24 CBH CBL 107.33 3.000
   S8N NBJ CBH CBL 113.74 3.000
   S8N H24 CBH CBG 109.72 3.000
   S8N NBJ CBH CBG 109.84 3.000
   S8N CBL CBH CBG 110.12 3.000
   S8N H25 CBL CBQ 108.38 3.000
   S8N H25 CBL CBM 108.51 3.000
   S8N CBQ CBL CBM 109.77 3.000
   S8N H25 CBL CBH 107.89 3.000
   S8N CBM CBL CBH 110.18 3.000
   S8N CBQ CBL CBH 112.02 3.000
   S8N H27 CBM H26 106.96 3.000
   S8N H27 CBM CBN 109.26 3.000
   S8N H26 CBM CBN 109.74 3.000
   S8N H27 CBM CBL 108.49 3.000
   S8N H26 CBM CBL 110.41 3.000
   S8N CBN CBM CBL 111.85 3.000
   S8N H29 CBN H28 106.70 3.000
   S8N H29 CBN CBO 110.37 3.000
   S8N H28 CBN CBO 109.25 3.000
   S8N H29 CBN CBM 109.80 3.000
   S8N H28 CBN CBM 109.07 3.000
   S8N CBO CBN CBM 111.52 3.000
   S8N H31 CBO H30 106.85 3.000
   S8N H31 CBO CBP 109.10 3.000
   S8N H30 CBO CBP 110.39 3.000
   S8N H31 CBO CBN 109.08 3.000
   S8N H30 CBO CBN 110.36 3.000
   S8N CBP CBO CBN 110.95 3.000
   S8N H33 CBP H32 106.74 3.000
   S8N H33 CBP CBQ 109.10 3.000
   S8N H32 CBP CBQ 109.75 3.000
   S8N H33 CBP CBO 109.19 3.000
   S8N H32 CBP CBO 110.37 3.000
   S8N CBQ CBP CBO 111.57 3.000
   S8N H35 CBQ H34 106.92 3.000
   S8N H35 CBQ CBP 109.62 3.000
   S8N H34 CBQ CBP 109.32 3.000
   S8N H35 CBQ CBL 110.27 3.000
   S8N H34 CBQ CBL 109.16 3.000
   S8N CBP CBQ CBL 111.43 3.000
   S8N H36 NBJ CBK 118.83 3.000
   S8N H36 NBJ CBH 118.54 3.000
   S8N CBK NBJ CBH 122.20 3.000
   S8N CBR CBK OBT 121.13 3.000
   S8N OBT CBK NBJ 122.81 3.000
   S8N CBR CBK NBJ 115.76 3.000
   S8N NBS CBR CBW 111.33 3.000
   S8N NBS CBR CBV 109.27 3.000
   S8N CBW CBR CBV 108.75 3.000
   S8N CBV CBR CBK 110.70 3.000
   S8N NBS CBR CBK 110.95 3.000
   S8N CBW CBR CBK 105.80 3.000
   S8N H39 CBV H38 108.57 3.000
   S8N H39 CBV H37 109.23 3.000
   S8N H38 CBV H37 108.61 3.000
   S8N H39 CBV CBR 108.80 3.000
   S8N H38 CBV CBR 110.35 3.000
   S8N H37 CBV CBR 111.24 3.000
   S8N H42 CBW H41 109.17 3.000
   S8N H42 CBW H40 107.90 3.000
   S8N H41 CBW H40 108.23 3.000
   S8N H42 CBW CBR 110.97 3.000
   S8N H41 CBW CBR 112.42 3.000
   S8N H40 CBW CBR 108.00 3.000
   S8N CAW NBS CBU 121.09 3.000
   S8N CAW NBS CBR 117.00 3.000
   S8N CBU NBS CBR 118.68 3.000
   S8N H45 CBU H44 108.98 3.000
   S8N H45 CBU H43 107.10 3.000
   S8N H44 CBU H43 108.87 3.000
   S8N H45 CBU NBS 109.87 3.000
   S8N H44 CBU NBS 111.70 3.000
   S8N H43 CBU NBS 110.21 3.000
   S8N CAV CAW OAX 120.20 3.000
   S8N OAX CAW NBS 122.63 3.000
   S8N CAV CAW NBS 117.11 3.000
   S8N H47 CAV H46 107.83 3.000
   S8N H47 CAV OAU 110.92 3.000
   S8N H46 CAV OAU 105.63 3.000
   S8N H47 CAV CAW 111.88 3.000
   S8N H46 CAV CAW 108.47 3.000
   S8N OAU CAV CAW 111.81 3.000
   S8N CAQ OAU CAV 119.10 3.000
   S8N CAR CAQ CAP 120.09 3.000
   S8N CAR CAQ OAU 115.80 3.000
   S8N CAP CAQ OAU 124.11 3.000
   S8N H48 CAP CAN 119.19 3.000
   S8N H48 CAP CAQ 120.90 3.000
   S8N CAN CAP CAQ 119.90 3.000
   S8N CAT CAN CAP 120.09 3.000
   S8N CAT CAN CAM 120.52 3.000
   S8N CAP CAN CAM 119.39 3.000
   S8N H49 CAT CAS 120.49 3.000
   S8N H49 CAT CAN 119.80 3.000
   S8N CAS CAT CAN 119.71 3.000
   S8N H50 CAS CAR 119.51 3.000
   S8N H50 CAS CAT 119.97 3.000
   S8N CAR CAS CAT 120.53 3.000
   S8N H51 CAR CAS 121.27 3.000
   S8N H51 CAR CAQ 119.06 3.000
   S8N CAS CAR CAQ 119.67 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
   S8N CONST_01 CAE CAD CAC CAB 0.00 0.0 0
   S8N CONST_02 CAE CAF CAA CAB 0.00 0.0 0
   S8N CONST_03 CAF CAA CAB CAC 0.00 0.0 0
   S8N CONST_04 CAF CAE CAD CAC 0.00 0.0 0
   S8N CONST_05 CAD CAC CAB CAA 0.00 0.0 0
   S8N CONST_06 CAD CAE CAF CAA 0.00 0.0 0
   S8N CONST_07 CAT CAN CAP CAQ 0.00 0.0 0
   S8N CONST_08 CAT CAS CAR CAQ 0.00 0.0 0
   S8N CONST_09 CAS CAT CAN CAP 0.00 0.0 0
   S8N CONST_10 CAS CAR CAQ CAP 0.00 0.0 0
   S8N CONST_11 CAR CAQ CAP CAN 0.00 0.0 0
   S8N CONST_12 CAR CAS CAT CAN 0.00 0.0 0
   S8N CONST_13 CBH CBG N CA 180.00 0.0 0
   S8N CONST_14 CBH CBG N CBE 0.00 0.0 0
   S8N CONST_15 CBR CBK NBJ CBH 180.00 0.0 0
   S8N CONST_16 CAV CAW NBS CBR 180.00 0.0 0
   S8N CONST_17 CAD CAC CAB OAH 180.00 0.0 0
   S8N CONST_18 CAF CAA CAB OAH 180.00 0.0 0
   S8N CONST_19 CAK CAD CAC CAB 180.00 0.0 0
   S8N CONST_20 OAG CAA CAB CAC 180.00 0.0 0
   S8N CONST_21 CAE CAF CAA OAG 180.00 0.0 0
   S8N CONST_22 CAK CAD CAE CAF 180.00 0.0 0
   S8N CONST_23 OBI CBG N CA 0.00 0.0 0
   S8N CONST_24 OBI CBG N CBE 180.00 0.0 0
   S8N CONST_25 OBT CBK NBJ CBH 0.00 0.0 0
   S8N CONST_26 OAX CAW NBS CBR 0.00 0.0 0
   S8N CONST_27 CAV CAW NBS CBU 0.00 0.0 0
   S8N CONST_28 H8 CAF CAA CAB 180.00 0.0 0
   S8N CONST_29 H9 CAE CAD CAC 180.00 0.0 0
   S8N CONST_30 H4 CAC CAB CAA 180.00 0.0 0
   S8N CONST_31 H48 CAP CAN CAM 0.00 0.0 0
   S8N CONST_32 H49 CAT CAN CAM 0.00 0.0 0
   S8N CONST_33 H51 CAR CAQ OAU 0.00 0.0 0
   S8N CONST_34 H50 CAS CAR CAQ 180.00 0.0 0
   S8N CONST_35 H36 NBJ CBK CBR 0.00 0.0 0
   S8N CONST_36 OAX CAW NBS CBU 180.00 0.0 0
   S8N Var_01 CA C OAO CAM 177.89 30.0 1
   S8N Var_02 CAP CAN CAM OAO 60.72 30.0 1
   S8N Var_03 CAT CAN CAM OAO -119.15 30.0 1
   S8N Var_04 N CA C OAO 46.67 30.0 1
   S8N Var_05 CB CA C OAO 171.97 30.0 1
   S8N Var_06 CAN CAM OAO C 90.13 30.0 1
   S8N Var_07 CBG N CA C -107.65 30.0 1
   S8N Var_08 CBE N CA C 72.12 30.0 1
   S8N Var_09 CBC CB CA C -74.98 30.0 3
   S8N Var_10 CBD CBE N CA 57.64 30.0 3
   S8N Var_11 CBD CBC CB CA -52.65 30.0 1
   S8N Var_12 CBG N CA CB 125.42 30.0 1
   S8N Var_13 CBE N CA CB -54.81 30.0 1
   S8N Var_14 CBE CBD CBC CB 53.49 30.0 1
   S8N Var_15 N CA CB CBC 51.78 30.0 3
   S8N Var_16 N CBE CBD CBC -55.26 30.0 1
   S8N Var_17 CBG N CBE CBD -122.61 30.0 3
   S8N Var_18 CBL CBH CBG N 142.00 30.0 1
   S8N Var_19 NBJ CBH CBG N -91.98 30.0 1
   S8N Var_20 CBQ CBL CBH CBG 176.42 30.0 2
   S8N Var_21 CBM CBL CBH CBG -61.08 30.0 2
   S8N Var_22 CBK NBJ CBH CBG 136.35 30.0 1
   S8N Var_23 CBP CBQ CBL CBH 178.93 30.0 1
   S8N Var_24 CBN CBM CBL CBH -179.74 30.0 1
   S8N Var_25 CBO CBP CBQ CBL -56.44 30.0 1
   S8N Var_26 CBO CBN CBM CBL 55.57 30.0 1
   S8N Var_27 CBK NBJ CBH CBL -99.72 30.0 1
   S8N Var_28 CBP CBO CBN CBM -54.29 30.0 1
   S8N Var_29 CBP CBQ CBL CBM 56.20 30.0 1
   S8N Var_30 NBJ CBH CBL CBM 175.14 30.0 3
   S8N Var_31 CBQ CBP CBO CBN 54.82 30.0 1
   S8N Var_32 CBQ CBL CBM CBN -55.92 30.0 1
   S8N Var_33 NBJ CBH CBL CBQ 52.64 30.0 3
   S8N Var_34 NBS CBR CBK NBJ 48.63 30.0 1
   S8N Var_35 CAW NBS CBR CBK 57.85 30.0 1
   S8N Var_36 OAU CAV CAW NBS -173.79 30.0 1
   S8N Var_37 CAQ OAU CAV CAW -86.37 30.0 1
   S8N Var_38 CAP CAQ OAU CAV 8.72 30.0 1
   S8N Var_39 CAR CAQ OAU CAV -170.55 30.0 1
   S8N Var_40 C OAO CAM CAL -146.18 30.0 1
   S8N Var_41 CAP CAN CAM CAL -57.72 30.0 1
   S8N Var_42 CAT CAN CAM CAL 122.42 30.0 1
   S8N Var_43 O C OAO CAM 1.05 30.0 1
   S8N Var_44 N CA C O -136.47 30.0 1
   S8N Var_45 CB CA C O -11.18 30.0 1
   S8N Var_46 CBL CBH CBG OBI -34.58 30.0 1
   S8N Var_47 NBJ CBH CBG OBI 91.44 30.0 1
   S8N Var_48 CBW CBR CBK NBJ -72.23 30.0 1
   S8N Var_49 CBV CBR CBK NBJ 170.12 30.0 1
   S8N Var_50 CBU NBS CBR CBK -142.25 30.0 1
   S8N Var_51 NBS CBR CBK OBT -137.54 30.0 1
   S8N Var_52 CAW NBS CBR CBV -64.48 30.0 1
   S8N Var_53 CAW NBS CBR CBW 175.39 30.0 1
   S8N Var_54 OAU CAV CAW OAX 3.49 30.0 1
   S8N Var_55 H15 CA C OAO -68.70 30.0 1
   S8N Var_56 H14 CAM OAO C -28.35 30.0 1
   S8N Var_57 H16 CB CA C 48.60 30.0 3
   S8N Var_58 H17 CB CA C 164.57 30.0 3
   S8N Var_59 H22 CBE N CA -177.96 30.0 3
   S8N Var_60 H23 CBE N CA -62.45 30.0 3
   S8N Var_61 H18 CBC CB CA 67.95 30.0 1
   S8N Var_62 H19 CBC CB CA -174.89 30.0 1
   S8N Var_63 H20 CBD CBC CB -66.89 30.0 1
   S8N Var_64 H21 CBD CBC CB 174.20 30.0 1
   S8N Var_65 H24 CBH CBG N 24.07 30.0 1
   S8N Var_66 H25 CBL CBH CBG 57.21 30.0 2
   S8N Var_67 H34 CBQ CBL CBH 58.09 30.0 1
   S8N Var_68 H35 CBQ CBL CBH -59.09 30.0 1
   S8N Var_69 H26 CBM CBL CBH 57.75 30.0 1
   S8N Var_70 H27 CBM CBL CBH -59.16 30.0 1
   S8N Var_71 H32 CBP CBQ CBL -179.09 30.0 1
   S8N Var_72 H33 CBP CBQ CBL 64.29 30.0 1
   S8N Var_73 H28 CBN CBM CBL -65.17 30.0 1
   S8N Var_74 H29 CBN CBM CBL 178.23 30.0 1
   S8N Var_75 H30 CBO CBN CBM -176.97 30.0 1
   S8N Var_76 H31 CBO CBN CBM 65.93 30.0 1
   S8N Var_77 H46 CAV CAW NBS -57.72 30.0 1
   S8N Var_78 H47 CAV CAW NBS 61.10 30.0 1
   S8N Var_79 CAC CAB OAH CAJ -0.21 30.0 2
   S8N Var_80 CAA CAB OAH CAJ 179.77 30.0 2
   S8N Var_81 CAI OAG CAA CAB 179.22 30.0 2
   S8N Var_82 CAL CAK CAD CAC -66.70 30.0 2
   S8N Var_83 CAF CAA OAG CAI -0.84 30.0 1
   S8N Var_84 CAL CAK CAD CAE 111.05 30.0 2
   S8N Var_85 CAM CAL CAK CAD -61.74 30.0 3
   S8N Var_86 OAO CAM CAL CAK 173.47 30.0 3
   S8N Var_87 CAN CAM CAL CAK -66.51 30.0 3
   S8N Var_88 CBW CBR CBK OBT 101.60 30.0 1
   S8N Var_89 CBV CBR CBK OBT -16.05 30.0 1
   S8N Var_90 CBU NBS CBR CBV 95.43 30.0 1
   S8N Var_91 CBU NBS CBR CBW -24.70 30.0 1
   S8N Var_92 H10 CAK CAD CAC 53.79 30.0 2
   S8N Var_93 H11 CAK CAD CAC 170.91 30.0 2
   S8N Var_94 H12 CAL CAM OAO 52.42 30.0 1
   S8N Var_95 H13 CAL CAM OAO -64.14 30.0 1
   S8N Var_96 H40 CBW CBR CBK -54.94 30.0 3
   S8N Var_97 H41 CBW CBR CBK 64.40 30.0 3
   S8N Var_98 H42 CBW CBR CBK -173.01 30.0 3
   S8N Var_99 H37 CBV CBR CBK -59.20 30.0 3
   S8N Var_100 H38 CBV CBR CBK 61.41 30.0 3
   S8N Var_101 H39 CBV CBR CBK -179.58 30.0 3
   S8N Var_102 H43 CBU NBS CBR 171.14 30.0 3
   S8N Var_103 H44 CBU NBS CBR -67.71 30.0 3
   S8N Var_104 H45 CBU NBS CBR 53.35 30.0 3
   S8N Var_105 H1 CAJ OAH CAB -179.80 30.0 3
   S8N Var_106 H2 CAJ OAH CAB -60.81 30.0 3
   S8N Var_107 H3 CAJ OAH CAB 61.22 30.0 3
   S8N Var_108 H5 CAI OAG CAA -179.37 30.0 3
   S8N Var_109 H6 CAI OAG CAA -60.40 30.0 3
   S8N Var_110 H7 CAI OAG CAA 61.63 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
   S8N chir_01 CAM CAL OAO CAN negativ
   S8N chir_02 CA N CB C negativ
   S8N chir_03 CBH NBJ CBL CBG positiv
   S8N chir_04 CBL CBQ CBM CBH negativ

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   S8N plan-1 OAO 0.020
   S8N plan-1 C 0.020
   S8N plan-1 O 0.020
   S8N plan-1 CA 0.020
   S8N plan-2 CAM 0.020
   S8N plan-2 OAU 0.020
   S8N plan-2 CAQ 0.020
   S8N plan-2 CAP 0.020
   S8N plan-2 CAN 0.020
   S8N plan-2 CAT 0.020
   S8N plan-2 CAS 0.020
   S8N plan-2 CAR 0.020
   S8N plan-2 H48 0.020
   S8N plan-2 H49 0.020
   S8N plan-2 H50 0.020
   S8N plan-2 H51 0.020
   S8N plan-3 OAH 0.020
   S8N plan-3 CAB 0.020
   S8N plan-3 CAC 0.020
   S8N plan-3 CAA 0.020
   S8N plan-3 OAG 0.020
   S8N plan-3 CAF 0.020
   S8N plan-3 CAE 0.020
   S8N plan-3 CAD 0.020
   S8N plan-3 CAK 0.020
   S8N plan-3 H4 0.020
   S8N plan-3 H8 0.020
   S8N plan-3 H9 0.020
   S8N plan-4 CBH 0.020
   S8N plan-4 NBJ 0.020
   S8N plan-4 CBK 0.020
   S8N plan-4 OBT 0.020
   S8N plan-4 CBR 0.020
   S8N plan-4 H36 0.020
   S8N plan-5 CBR 0.020
   S8N plan-5 NBS 0.020
   S8N plan-5 CBU 0.020
   S8N plan-5 CAW 0.020
   S8N plan-5 OAX 0.020
   S8N plan-5 CAV 0.020
   S8N plan-6 CA 0.020
   S8N plan-6 CBE 0.020
   S8N plan-6 N 0.020
   S8N plan-6 CBG 0.020
   S8N plan-6 OBI 0.020
   S8N plan-6 CBH 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   S8N plan-1
   S8N plan-2
   S8N plan-3
   S8N plan-4
   S8N plan-5
   S8N plan-6

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
   S8N S8N (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone ligand 100 49 .

