data_6yf3_qFit
_cell.length_a                    57.279
_cell.length_b                    57.279
_cell.length_c                    54.296
_cell.angle_alpha                 90.000
_cell.angle_beta                  90.000
_cell.angle_gamma                 90.000
_cell.volume                      178138.870
_space_group.crystal_system       tetragonal
_space_group.IT_number            94
_space_group.name_H-M_alt         'P 42 21 2'
_space_group.name_Hall            ' P 4n 2n'
_symmetry.space_group_name_H-M    'P 42 21 2'
_symmetry.space_group_name_Hall   ' P 4n 2n'
_symmetry.Int_Tables_number       94
_reflns.B_iso_Wilson_estimate     8.58
_refine.pdbx_refine_id            'X-RAY DIFFRACTION'
_refine.ls_d_res_low              40.50
_refine.ls_d_res_high             1.00
_refine.pdbx_ls_sigma_F           1.95
_refine.ls_percent_reflns_obs     93.89
_refine.ls_number_reflns_obs      45740
_refine.ls_number_reflns_R_work   43750
_refine.ls_number_reflns_R_free   1990
_refine.ls_R_factor_obs           0.1615
_refine.ls_R_factor_R_work        0.1609
_refine.ls_R_factor_R_free        0.1738
_refine.ls_percent_reflns_R_free  4.35
_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             0.0745
_refine.pdbx_overall_phase_error  18.1429
_refine.pdbx_stereochemistry_target_values 'GeoStd + Monomer Library + CDL v1.2'
_refine.B_iso_mean                10.97
_refine.pdbx_ls_cross_valid_method 'FREE R-VALUE'
_exptl.method                     'X-RAY DIFFRACTION'
loop_
  _space_group_symop.id
  _space_group_symop.operation_xyz
   1 x,y,z
   2 -y+1/2,x+1/2,z+1/2
   3 y+1/2,-x+1/2,z+1/2
   4 x+1/2,-y+1/2,-z+1/2
   5 -x+1/2,y+1/2,-z+1/2
   6 -x,-y,z
   7 y,x,-z
   8 -y,-x,-z

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 1968 0.0154 ? ?
   'X-RAY DIFFRACTION' f_angle_d 2721 1.5707 ? ?
   'X-RAY DIFFRACTION' f_chiral_restr 303 0.1062 ? ?
   'X-RAY DIFFRACTION' f_plane_restr 358 0.0113 ? ?
   'X-RAY DIFFRACTION' f_dihedral_angle_d 853 14.8282 ? ?

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' 2.42 40.50 3577 0.1597 99.79 0.1705 169
   'X-RAY DIFFRACTION' 1.92 2.42 3394 0.1590 99.97 0.1700 154
   'X-RAY DIFFRACTION' 1.68 1.92 3362 0.1522 100.00 0.1641 154
   'X-RAY DIFFRACTION' 1.52 1.68 3341 0.1560 99.91 0.1788 151
   'X-RAY DIFFRACTION' 1.42 1.52 3334 0.1581 99.97 0.1632 154
   'X-RAY DIFFRACTION' 1.33 1.42 3285 0.1544 99.94 0.1643 153
   'X-RAY DIFFRACTION' 1.27 1.33 3306 0.1526 99.97 0.1635 148
   'X-RAY DIFFRACTION' 1.21 1.27 3304 0.1585 99.86 0.1976 147
   'X-RAY DIFFRACTION' 1.16 1.21 3290 0.1579 99.94 0.1932 148
   'X-RAY DIFFRACTION' 1.12 1.16 3274 0.1641 99.88 0.1585 143
   'X-RAY DIFFRACTION' 1.09 1.12 3190 0.1688 96.70 0.1661 151
   'X-RAY DIFFRACTION' 1.06 1.09 2827 0.1874 86.30 0.2001 121
   'X-RAY DIFFRACTION' 1.03 1.06 2395 0.2252 73.31 0.2551 115
   'X-RAY DIFFRACTION' 1.00 1.03 1871 0.2649 57.32 0.2749 82

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

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.
;
 .
   Cd . . 36.69012 11.13669 . . 1.60906 22.94611 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Cl . . 9.50761 7.44341 . . 1.04373 23.83732 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   N . . 4.01032 2.96436 . . 19.97189 1.75589 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   Na1+ . . 5.56094 4.42395 . . 7.30808 1.06976 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   O . . 4.49882 3.47563 . . 15.80542 1.70748 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .
   S . . 9.55732 6.39887 . . 1.23737 29.19336 . . 0.0 
;
2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD:
Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
 .

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

loop_
  _atom_site.group_PDB
  _atom_site.id
  _atom_site.label_atom_id
  _atom_site.label_alt_id
  _atom_site.label_comp_id
  _atom_site.auth_asym_id
  _atom_site.auth_seq_id
  _atom_site.pdbx_PDB_ins_code
  _atom_site.Cartn_x
  _atom_site.Cartn_y
  _atom_site.Cartn_z
  _atom_site.occupancy
  _atom_site.B_iso_or_equiv
  _atom_site.type_symbol
  _atom_site.pdbx_formal_charge
  _atom_site.label_asym_id
  _atom_site.label_entity_id
  _atom_site.label_seq_id
  _atom_site.auth_atom_id
  _atom_site.pdbx_PDB_model_num
   ATOM 1 N . PRO A 0 ? 12.97407 -23.20135 20.52487 1.000 26.63185 N ? A ? 1 N 1
   ATOM 2 CA . PRO A 0 ? 12.77351 -22.13302 19.54962 1.000 26.46802 C ? A ? 1 CA 1
   ATOM 3 C . PRO A 0 ? 11.82484 -21.00512 20.03582 1.000 16.64547 C ? A ? 1 C 1
   ATOM 4 O . PRO A 0 ? 10.93546 -21.20055 20.89652 1.000 14.66156 O ? A ? 1 O 1
   ATOM 5 CB A PRO A 0 ? 12.15962 -22.87546 18.34742 0.293 24.01647 C ? A ? 1 CB 1
   ATOM 6 CG A PRO A 0 ? 12.56861 -24.31083 18.51503 0.293 22.90170 C ? A ? 1 CG 1
   ATOM 7 CD A PRO A 0 ? 12.58448 -24.52147 19.99338 0.293 25.50128 C ? A ? 1 CD 1
   ATOM 8 CB B PRO A 0 ? 12.16635 -22.88023 18.36229 0.707 24.39498 C ? A ? 1 CB 1
   ATOM 9 CG B PRO A 0 ? 11.40667 -23.99466 18.97125 0.707 23.77923 C ? A ? 1 CG 1
   ATOM 10 CD B PRO A 0 ? 12.10691 -24.36041 20.24810 0.707 29.45836 C ? A ? 1 CD 1
   ATOM 11 N . GLY A 1 ? 11.99048 -19.82758 19.42353 1.000 11.89681 N ? A ? 2 N 1
   ATOM 12 CA . GLY A 1 ? 11.12013 -18.71982 19.74680 1.000 9.41790 C ? A ? 2 CA 1
   ATOM 13 C . GLY A 1 ? 9.66706 -18.99096 19.45226 1.000 8.30044 C ? A ? 2 C 1
   ATOM 14 O . GLY A 1 ? 8.77257 -18.62151 20.24994 1.000 9.21153 O ? A ? 2 O 1
   ATOM 15 N . VAL A 2 ? 9.40091 -19.59299 18.29897 1.000 8.37969 N ? A ? 3 N 1
   ATOM 16 CA . VAL A 2 ? 8.04237 -19.95628 17.95269 1.000 8.20829 C ? A ? 3 CA 1
   ATOM 17 C . VAL A 2 ? 8.06685 -21.28669 17.21529 1.000 7.38377 C ? A ? 3 C 1
   ATOM 18 O . VAL A 2 ? 8.95467 -21.54818 16.37971 1.000 9.57942 O ? A ? 3 O 1
   ATOM 19 CB . VAL A 2 ? 7.28114 -18.84378 17.16796 1.000 9.04231 C ? A ? 3 CB 1
   ATOM 20 CG1 . VAL A 2 ? 7.98118 -18.51252 15.88940 1.000 11.54465 C ? A ? 3 CG1 1
   ATOM 21 CG2 . VAL A 2 ? 5.80361 -19.19118 16.93171 1.000 8.65050 C ? A ? 3 CG2 1
   ATOM 22 N . GLN A 3 ? 7.10534 -22.13539 17.51055 1.000 8.07096 N ? A ? 4 N 1
   ATOM 23 CA . GLN A 3 ? 6.78104 -23.35368 16.77392 1.000 8.69760 C ? A ? 4 CA 1
   ATOM 24 C . GLN A 3 ? 5.40308 -23.18650 16.17429 1.000 7.56215 C ? A ? 4 C 1
   ATOM 25 O . GLN A 3 ? 4.45981 -22.80316 16.89475 1.000 8.91331 O ? A ? 4 O 1
   ATOM 26 CB B GLN A 3 ? 6.76990 -24.54803 17.71971 0.416 11.62545 C ? A ? 4 CB 1
   ATOM 27 CG B GLN A 3 ? 8.13130 -24.85153 18.29807 0.416 13.53331 C ? A ? 4 CG 1
   ATOM 28 CD B GLN A 3 ? 8.05258 -25.72282 19.55810 0.416 22.95288 C ? A ? 4 CD 1
   ATOM 29 OE1 B GLN A 3 ? 7.88247 -25.22979 20.70043 0.416 24.48161 O ? A ? 4 OE1 1
   ATOM 30 NE2 B GLN A 3 ? 8.17131 -27.03082 19.35611 0.416 24.92298 N ? A ? 4 NE2 1
   ATOM 31 CB C GLN A 3 ? 6.75646 -24.54648 17.71537 0.584 11.56962 C ? A ? 4 CB 1
   ATOM 32 CG C GLN A 3 ? 7.95538 -24.62259 18.60602 0.584 18.46001 C ? A ? 4 CG 1
   ATOM 33 CD C GLN A 3 ? 7.66977 -25.48883 19.80897 0.584 24.95408 C ? A ? 4 CD 1
   ATOM 34 OE1 C GLN A 3 ? 7.84023 -25.05683 20.96037 0.584 21.05875 O ? A ? 4 OE1 1
   ATOM 35 NE2 C GLN A 3 ? 7.22690 -26.72279 19.56338 0.584 20.27085 N ? A ? 4 NE2 1
   ATOM 36 N A VAL A 4 ? 5.24654 -23.51742 14.90920 0.271 7.95679 N ? A ? 5 N 1
   ATOM 37 CA A VAL A 4 ? 3.96569 -23.40842 14.21989 0.271 7.56897 C ? A ? 5 CA 1
   ATOM 38 C A VAL A 4 ? 3.43778 -24.81412 13.92993 0.271 7.61184 C ? A ? 5 C 1
   ATOM 39 O A VAL A 4 ? 4.08278 -25.60831 13.21884 0.271 6.61116 O ? A ? 5 O 1
   ATOM 40 CB A VAL A 4 ? 4.10735 -22.57779 12.92917 0.271 9.75224 C ? A ? 5 CB 1
   ATOM 41 CG1 A VAL A 4 ? 2.82807 -22.63095 12.12761 0.271 8.60005 C ? A ? 5 CG1 1
   ATOM 42 CG2 A VAL A 4 ? 4.49199 -21.11222 13.27508 0.271 9.05499 C ? A ? 5 CG2 1
   ATOM 43 N B VAL A 4 ? 5.22998 -23.60530 14.95264 0.302 7.71921 N ? A ? 5 N 1
   ATOM 44 CA B VAL A 4 ? 3.93607 -23.56195 14.29062 0.302 6.69890 C ? A ? 5 CA 1
   ATOM 45 C B VAL A 4 ? 3.44976 -24.99728 14.13328 0.302 6.64073 C ? A ? 5 C 1
   ATOM 46 O B VAL A 4 ? 4.19013 -25.86328 13.61233 0.302 7.99230 O ? A ? 5 O 1
   ATOM 47 CB B VAL A 4 ? 4.06692 -22.88066 12.91025 0.302 9.54039 C ? A ? 5 CB 1
   ATOM 48 CG1 B VAL A 4 ? 2.70672 -22.77536 12.21904 0.302 8.99077 C ? A ? 5 CG1 1
   ATOM 49 CG2 B VAL A 4 ? 4.74390 -21.49801 13.01201 0.302 8.43807 C ? A ? 5 CG2 1
   ATOM 50 N C VAL A 4 ? 5.27230 -23.40177 14.86137 0.427 7.90918 N ? A ? 5 N 1
   ATOM 51 CA C VAL A 4 ? 4.01796 -23.22422 14.13436 0.427 8.09206 C ? A ? 5 CA 1
   ATOM 52 C C VAL A 4 ? 3.52338 -24.60469 13.74155 0.427 7.19094 C ? A ? 5 C 1
   ATOM 53 O C VAL A 4 ? 4.12711 -25.26337 12.88486 0.427 7.84461 O ? A ? 5 O 1
   ATOM 54 CB C VAL A 4 ? 4.23084 -22.37276 12.87649 0.427 9.20306 C ? A ? 5 CB 1
   ATOM 55 CG1 C VAL A 4 ? 2.89876 -22.07077 12.19882 0.427 10.35461 C ? A ? 5 CG1 1
   ATOM 56 CG2 C VAL A 4 ? 5.02381 -21.12703 13.23990 0.427 9.29352 C ? A ? 5 CG2 1
   ATOM 57 N A GLU A 5 ? 2.25763 -25.13229 14.44778 0.271 7.61041 N ? A ? 6 N 1
   ATOM 58 CA A GLU A 5 ? 1.65397 -26.43763 14.19517 0.271 8.32203 C ? A ? 6 CA 1
   ATOM 59 C A GLU A 5 ? 0.29846 -26.25826 13.53947 0.271 7.46636 C ? A ? 6 C 1
   ATOM 60 O A GLU A 5 ? -0.57963 -25.60054 14.11536 0.271 7.35475 O ? A ? 6 O 1
   ATOM 61 CB A GLU A 5 ? 1.58987 -27.24838 15.48112 0.271 9.72489 C ? A ? 6 CB 1
   ATOM 62 CG A GLU A 5 ? 2.96316 -27.83195 15.77134 0.271 11.92429 C ? A ? 6 CG 1
   ATOM 63 CD A GLU A 5 ? 3.31198 -27.94421 17.25273 0.271 14.11104 C ? A ? 6 CD 1
   ATOM 64 OE1 A GLU A 5 ? 2.45965 -27.67668 18.15128 0.271 13.37036 O ? A ? 6 OE1 1
   ATOM 65 OE2 A GLU A 5 ? 4.48393 -28.32870 17.51841 0.271 18.47053 O ? A ? 6 OE2 1
   ATOM 66 N B GLU A 5 ? 2.20424 -25.24860 14.56599 0.302 6.82683 N ? A ? 6 N 1
   ATOM 67 CA B GLU A 5 ? 1.54192 -26.53940 14.35462 0.302 6.82738 C ? A ? 6 CA 1
   ATOM 68 C B GLU A 5 ? 0.22233 -26.33719 13.61850 0.302 7.18259 C ? A ? 6 C 1
   ATOM 69 O B GLU A 5 ? -0.70310 -25.75374 14.21414 0.302 8.29605 O ? A ? 6 O 1
   ATOM 70 CB B GLU A 5 ? 1.37757 -27.24370 15.69587 0.302 8.66077 C ? A ? 6 CB 1
   ATOM 71 CG B GLU A 5 ? 2.76831 -27.54694 16.24514 0.302 11.90469 C ? A ? 6 CG 1
   ATOM 72 CD B GLU A 5 ? 2.77661 -28.11758 17.63539 0.302 14.26477 C ? A ? 6 CD 1
   ATOM 73 OE1 B GLU A 5 ? 1.95603 -27.68037 18.46787 0.302 12.80568 O ? A ? 6 OE1 1
   ATOM 74 OE2 B GLU A 5 ? 3.63079 -28.99721 17.90040 0.302 17.11114 O ? A ? 6 OE2 1
   ATOM 75 N C GLU A 5 ? 2.45078 -25.07249 14.34457 0.427 6.88119 N ? A ? 6 N 1
   ATOM 76 CA C GLU A 5 ? 1.83239 -26.33047 13.97010 0.427 7.26676 C ? A ? 6 CA 1
   ATOM 77 C C GLU A 5 ? 0.50247 -26.02873 13.29873 0.427 6.33299 C ? A ? 6 C 1
   ATOM 78 O C GLU A 5 ? -0.26917 -25.16656 13.71985 0.427 7.39243 O ? A ? 6 O 1
   ATOM 79 CB C GLU A 5 ? 1.54825 -27.20276 15.21497 0.427 9.94033 C ? A ? 6 CB 1
   ATOM 80 CG C GLU A 5 ? 2.76503 -27.61734 16.04346 0.427 11.68618 C ? A ? 6 CG 1
   ATOM 81 CD C GLU A 5 ? 2.47604 -28.59162 17.18572 0.427 12.33543 C ? A ? 6 CD 1
   ATOM 82 OE1 C GLU A 5 ? 1.36154 -28.54805 17.73199 0.427 20.86349 O ? A ? 6 OE1 1
   ATOM 83 OE2 C GLU A 5 ? 3.39894 -29.38151 17.52610 0.427 18.82629 O ? A ? 6 OE2 1
   ATOM 84 N . THR A 6 ? 0.15649 -26.78606 12.30883 1.000 7.30831 N ? A ? 7 N 1
   ATOM 85 CA . THR A 6 ? -1.01456 -26.47443 11.49434 1.000 6.98575 C ? A ? 7 CA 1
   ATOM 86 C . THR A 6 ? -2.22476 -27.28746 11.88880 1.000 6.66633 C ? A ? 7 C 1
   ATOM 87 O . THR A 6 ? -2.16277 -28.52877 11.92342 1.000 7.54467 O ? A ? 7 O 1
   ATOM 88 CB . THR A 6 ? -0.68761 -26.68365 10.02199 1.000 8.04095 C ? A ? 7 CB 1
   ATOM 89 OG1 . THR A 6 ? 0.34586 -25.76666 9.65741 1.000 10.14466 O ? A ? 7 OG1 1
   ATOM 90 CG2 . THR A 6 ? -1.87572 -26.39742 9.15824 1.000 8.41947 C ? A ? 7 CG2 1
   ATOM 91 N . ILE A 7 ? -3.31781 -26.59186 12.13621 1.000 6.36126 N ? A ? 8 N 1
   ATOM 92 CA . ILE A 7 ? -4.61672 -27.17929 12.40461 1.000 7.29229 C ? A ? 8 CA 1
   ATOM 93 C . ILE A 7 ? -5.40790 -27.35774 11.11286 1.000 7.22370 C ? A ? 8 C 1
   ATOM 94 O . ILE A 7 ? -6.01410 -28.41561 10.88070 1.000 9.27385 O ? A ? 8 O 1
   ATOM 95 CB A ILE A 7 ? -5.41560 -26.31730 13.39634 0.666 8.17011 C ? A ? 8 CB 1
   ATOM 96 CG1 A ILE A 7 ? -4.83742 -26.45968 14.77486 0.666 8.64708 C ? A ? 8 CG1 1
   ATOM 97 CG2 A ILE A 7 ? -6.90521 -26.74829 13.46208 0.666 10.42140 C ? A ? 8 CG2 1
   ATOM 98 CD1 A ILE A 7 ? -5.40330 -25.44205 15.76050 0.666 11.82741 C ? A ? 8 CD1 1
   ATOM 99 CB B ILE A 7 ? -5.34935 -26.29637 13.43339 0.334 8.02284 C ? A ? 8 CB 1
   ATOM 100 CG1 B ILE A 7 ? -4.46090 -26.01839 14.69159 0.334 4.96076 C ? A ? 8 CG1 1
   ATOM 101 CG2 B ILE A 7 ? -6.72089 -26.92625 13.72587 0.334 11.85254 C ? A ? 8 CG2 1
   ATOM 102 CD1 B ILE A 7 ? -5.05703 -24.89728 15.64127 0.334 7.04765 C ? A ? 8 CD1 1
   ATOM 103 N A SER A 8 ? -5.38027 -26.35957 10.24593 0.364 6.80160 N ? A ? 9 N 1
   ATOM 104 CA A SER A 8 ? -5.93617 -26.54615 8.92627 0.364 6.83335 C ? A ? 9 CA 1
   ATOM 105 C A SER A 8 ? -5.06857 -25.75075 7.96113 0.364 5.72759 C ? A ? 9 C 1
   ATOM 106 O A SER A 8 ? -4.67114 -24.61172 8.27669 0.364 5.91899 O ? A ? 9 O 1
   ATOM 107 CB A SER A 8 ? -7.38643 -26.08452 8.87825 0.364 8.74370 C ? A ? 9 CB 1
   ATOM 108 OG A SER A 8 ? -8.00856 -26.73792 7.80187 0.364 8.75370 O ? A ? 9 OG 1
   ATOM 109 N B SER A 8 ? -5.48939 -26.30386 10.28505 0.332 6.81962 N ? A ? 9 N 1
   ATOM 110 CA B SER A 8 ? -6.13870 -26.32585 8.97380 0.332 6.40762 C ? A ? 9 CA 1
   ATOM 111 C B SER A 8 ? -5.20778 -25.67445 7.96609 0.332 5.94785 C ? A ? 9 C 1
   ATOM 112 O B SER A 8 ? -4.50266 -24.69308 8.26875 0.332 5.91280 O ? A ? 9 O 1
   ATOM 113 CB B SER A 8 ? -7.49008 -25.63590 8.99821 0.332 8.65099 C ? A ? 9 CB 1
   ATOM 114 OG B SER A 8 ? -8.32150 -26.35642 9.89472 0.332 14.81127 O ? A ? 9 OG 1
   ATOM 115 N C SER A 8 ? -5.39393 -26.36975 10.22626 0.304 6.80925 N ? A ? 9 N 1
   ATOM 116 CA C SER A 8 ? -5.95725 -26.57967 8.88997 0.304 6.76013 C ? A ? 9 CA 1
   ATOM 117 C C SER A 8 ? -5.15022 -25.68967 7.94565 0.304 5.98215 C ? A ? 9 C 1
   ATOM 118 O C SER A 8 ? -4.89664 -24.52706 8.30095 0.304 5.28857 O ? A ? 9 O 1
   ATOM 119 CB C SER A 8 ? -7.45022 -26.21996 8.87677 0.304 8.30326 C ? A ? 9 CB 1
   ATOM 120 OG C SER A 8 ? -7.70357 -24.82826 9.07931 0.304 9.10322 O ? A ? 9 OG 1
   ATOM 121 N A PRO A 9 ? -4.77461 -26.28715 6.78081 0.364 5.80969 N ? A ? 10 N 1
   ATOM 122 CA A PRO A 9 ? -3.77416 -25.64329 5.91356 0.364 6.34626 C ? A ? 10 CA 1
   ATOM 123 C A PRO A 9 ? -4.28874 -24.36299 5.26385 0.364 5.95636 C ? A ? 10 C 1
   ATOM 124 O A PRO A 9 ? -5.48289 -24.20748 4.99103 0.364 7.28298 O ? A ? 10 O 1
   ATOM 125 CB A PRO A 9 ? -3.45952 -26.72014 4.87161 0.364 8.02440 C ? A ? 10 CB 1
   ATOM 126 CG A PRO A 9 ? -4.61741 -27.68478 4.96592 0.364 10.35935 C ? A ? 10 CG 1
   ATOM 127 CD A PRO A 9 ? -5.16469 -27.63025 6.32557 0.364 7.68536 C ? A ? 10 CD 1
   ATOM 128 N B PRO A 9 ? -5.11830 -26.22215 6.77633 0.332 5.09027 N ? A ? 10 N 1
   ATOM 129 CA B PRO A 9 ? -4.14927 -25.66844 5.82410 0.332 5.41842 C ? A ? 10 CA 1
   ATOM 130 C B PRO A 9 ? -4.60831 -24.32627 5.29261 0.332 5.99977 C ? A ? 10 C 1
   ATOM 131 O B PRO A 9 ? -5.79535 -24.01778 5.26508 0.332 6.78643 O ? A ? 10 O 1
   ATOM 132 CB B PRO A 9 ? -4.07557 -26.70430 4.69334 0.332 5.13087 C ? A ? 10 CB 1
   ATOM 133 CG B PRO A 9 ? -5.18903 -27.57821 4.90251 0.332 10.13080 C ? A ? 10 CG 1
   ATOM 134 CD B PRO A 9 ? -5.68178 -27.49957 6.31170 0.332 6.92543 C ? A ? 10 CD 1
   ATOM 135 N C PRO A 9 ? -4.74567 -26.18022 6.75547 0.304 5.77546 N ? A ? 10 N 1
   ATOM 136 CA C PRO A 9 ? -3.73240 -25.48011 5.92547 0.304 6.16286 C ? A ? 10 CA 1
   ATOM 137 C C PRO A 9 ? -4.24504 -24.20246 5.27808 0.304 5.10985 C ? A ? 10 C 1
   ATOM 138 O C PRO A 9 ? -5.44048 -24.01481 5.05500 0.304 6.82096 O ? A ? 10 O 1
   ATOM 139 CB C PRO A 9 ? -3.36465 -26.52678 4.85534 0.304 7.80156 C ? A ? 10 CB 1
   ATOM 140 CG C PRO A 9 ? -4.55184 -27.42665 4.80489 0.304 8.66822 C ? A ? 10 CG 1
   ATOM 141 CD C PRO A 9 ? -5.09524 -27.49995 6.19937 0.304 7.42231 C ? A ? 10 CD 1
   ATOM 142 N A GLY A 10 ? -3.34464 -23.45109 4.98863 0.364 6.54666 N ? A ? 11 N 1
   ATOM 143 CA A GLY A 10 ? -3.61149 -22.26133 4.20163 0.364 6.68606 C ? A ? 11 CA 1
   ATOM 144 C A GLY A 10 ? -3.49651 -22.53446 2.71845 0.364 6.26160 C ? A ? 11 C 1
   ATOM 145 O A GLY A 10 ? -3.24880 -23.67486 2.30624 0.364 6.76565 O ? A ? 11 O 1
   ATOM 146 N B GLY A 10 ? -3.65850 -23.50701 4.90179 0.332 5.97510 N ? A ? 11 N 1
   ATOM 147 CA B GLY A 10 ? -3.94332 -22.29456 4.13970 0.332 5.75325 C ? A ? 11 CA 1
   ATOM 148 C B GLY A 10 ? -3.94154 -22.52404 2.64714 0.332 5.52241 C ? A ? 11 C 1
   ATOM 149 O B GLY A 10 ? -4.19888 -23.63294 2.16586 0.332 6.07198 O ? A ? 11 O 1
   ATOM 150 N C GLY A 10 ? -3.29542 -23.31929 4.96983 0.304 6.48267 N ? A ? 11 N 1
   ATOM 151 CA C GLY A 10 ? -3.56551 -22.12389 4.20347 0.304 6.40571 C ? A ? 11 CA 1
   ATOM 152 C C GLY A 10 ? -3.48226 -22.38257 2.71920 0.304 6.12586 C ? A ? 11 C 1
   ATOM 153 O C GLY A 10 ? -3.50328 -23.52633 2.24911 0.304 7.00570 O ? A ? 11 O 1
   ATOM 154 N A ASP A 11 ? -3.74064 -21.47077 1.92442 0.364 5.56133 N ? A ? 12 N 1
   ATOM 155 CA A ASP A 11 ? -3.75465 -21.57728 0.49046 0.364 6.12129 C ? A ? 12 CA 1
   ATOM 156 C A ASP A 11 ? -2.42063 -22.06695 -0.08449 0.364 6.67024 C ? A ? 12 C 1
   ATOM 157 O A ASP A 11 ? -2.37821 -22.43516 -1.26697 0.364 6.76690 O ? A ? 12 O 1
   ATOM 158 CB A ASP A 11 ? -4.26242 -20.27305 -0.19722 0.364 7.83603 C ? A ? 12 CB 1
   ATOM 159 CG A ASP A 11 ? -3.24821 -19.12013 -0.19437 0.364 7.61331 C ? A ? 12 CG 1
   ATOM 160 OD1 A ASP A 11 ? -2.12812 -19.24166 0.32126 0.364 8.09149 O ? A ? 12 OD1 1
   ATOM 161 OD2 A ASP A 11 ? -3.56152 -18.04992 -0.79202 0.364 9.55430 O ? A ? 12 OD2 1
   ATOM 162 N B ASP A 11 ? -3.53312 -21.49278 1.90294 0.332 6.26859 N ? A ? 12 N 1
   ATOM 163 CA B ASP A 11 ? -3.42316 -21.60599 0.46154 0.332 7.07531 C ? A ? 12 CA 1
   ATOM 164 C B ASP A 11 ? -2.03727 -22.03247 -0.01615 0.332 6.69092 C ? A ? 12 C 1
   ATOM 165 O B ASP A 11 ? -1.88027 -22.38652 -1.20393 0.332 8.48166 O ? A ? 12 O 1
   ATOM 166 CB B ASP A 11 ? -3.94643 -20.33795 -0.28218 0.332 7.04606 C ? A ? 12 CB 1
   ATOM 167 CG B ASP A 11 ? -2.94875 -19.15206 -0.30559 0.332 8.81673 C ? A ? 12 CG 1
   ATOM 168 OD1 B ASP A 11 ? -1.97329 -19.09986 0.44287 0.332 8.36506 O ? A ? 12 OD1 1
   ATOM 169 OD2 B ASP A 11 ? -3.12045 -18.22206 -1.14102 0.332 9.17124 O ? A ? 12 OD2 1
   ATOM 170 N C ASP A 11 ? -3.43077 -21.27970 1.97003 0.304 6.81332 N ? A ? 12 N 1
   ATOM 171 CA C ASP A 11 ? -3.45591 -21.41880 0.52896 0.304 6.56759 C ? A ? 12 CA 1
   ATOM 172 C C ASP A 11 ? -2.13483 -21.91093 -0.04432 0.304 7.28794 C ? A ? 12 C 1
   ATOM 173 O C ASP A 11 ? -2.02183 -22.05967 -1.27739 0.304 8.73029 O ? A ? 12 O 1
   ATOM 174 CB C ASP A 11 ? -3.96821 -20.15558 -0.19424 0.304 6.95065 C ? A ? 12 CB 1
   ATOM 175 CG C ASP A 11 ? -3.07119 -18.95579 -0.03230 0.304 7.64861 C ? A ? 12 CG 1
   ATOM 176 OD1 C ASP A 11 ? -1.87942 -19.06890 0.35179 0.304 7.73812 O ? A ? 12 OD1 1
   ATOM 177 OD2 C ASP A 11 ? -3.59868 -17.87660 -0.38109 0.304 10.71436 O ? A ? 12 OD2 1
   ATOM 178 N A GLY A 12 ? -1.34408 -22.07421 0.70665 0.364 7.95131 N ? A ? 13 N 1
   ATOM 179 CA A GLY A 12 ? -0.03412 -22.52171 0.25514 0.364 8.37164 C ? A ? 13 CA 1
   ATOM 180 C A GLY A 12 ? 0.70207 -21.55087 -0.64345 0.364 8.19433 C ? A ? 13 C 1
   ATOM 181 O A GLY A 12 ? 1.66842 -21.94366 -1.32284 0.364 8.33066 O ? A ? 13 O 1
   ATOM 182 N B GLY A 12 ? -1.03215 -21.96346 0.86012 0.332 7.61466 N ? A ? 13 N 1
   ATOM 183 CA B GLY A 12 ? 0.32309 -22.31263 0.47154 0.332 8.50976 C ? A ? 13 CA 1
   ATOM 184 C B GLY A 12 ? 0.97028 -21.32027 -0.45232 0.332 8.24877 C ? A ? 13 C 1
   ATOM 185 O B GLY A 12 ? 2.07117 -21.57455 -0.97562 0.332 9.84242 O ? A ? 13 O 1
   ATOM 186 N C GLY A 12 ? -1.13851 -22.12644 0.81148 0.304 8.13735 N ? A ? 13 N 1
   ATOM 187 CA C GLY A 12 ? 0.12541 -22.65482 0.35094 0.304 8.75744 C ? A ? 13 CA 1
   ATOM 188 C C GLY A 12 ? 0.89556 -21.74718 -0.57337 0.304 8.77449 C ? A ? 13 C 1
   ATOM 189 O C GLY A 12 ? 1.85794 -22.19267 -1.19726 0.304 9.19036 O ? A ? 13 O 1
   ATOM 190 N A ARG A 13 ? 0.30409 -20.27594 -0.64977 0.364 8.71300 N ? A ? 14 N 1
   ATOM 191 CA A ARG A 13 ? 0.77362 -19.31624 -1.65411 0.364 9.24337 C ? A ? 14 CA 1
   ATOM 192 C A ARG A 13 ? 0.95668 -17.89158 -1.12623 0.364 9.29478 C ? A ? 14 C 1
   ATOM 193 O A ARG A 13 ? 1.94580 -17.21321 -1.45683 0.364 12.14619 O ? A ? 14 O 1
   ATOM 194 CB A ARG A 13 ? -0.18532 -19.31728 -2.86215 0.364 10.59732 C ? A ? 14 CB 1
   ATOM 195 CG A ARG A 13 ? 0.17255 -18.38706 -3.94294 0.364 18.10541 C ? A ? 14 CG 1
   ATOM 196 CD A ARG A 13 ? -0.51973 -18.85806 -5.17671 0.364 22.50139 C ? A ? 14 CD 1
   ATOM 197 NE A ARG A 13 ? -0.14770 -18.07234 -6.33549 0.364 26.04530 N ? A ? 14 NE 1
   ATOM 198 CZ A ARG A 13 ? -0.53710 -18.36676 -7.56090 0.364 21.85404 C ? A ? 14 CZ 1
   ATOM 199 NH1 A ARG A 13 ? -1.23466 -19.45563 -7.82402 0.364 24.94401 N ? A ? 14 NH1 1
   ATOM 200 NH2 A ARG A 13 ? -0.22313 -17.55041 -8.54755 0.364 24.49900 N ? A ? 14 NH2 1
   ATOM 201 N B ARG A 13 ? 0.30734 -20.24057 -0.69982 0.332 8.80838 N ? A ? 14 N 1
   ATOM 202 CA B ARG A 13 ? 0.75571 -19.29842 -1.71412 0.332 9.34568 C ? A ? 14 CA 1
   ATOM 203 C B ARG A 13 ? 0.94101 -17.88023 -1.20051 0.332 9.28387 C ? A ? 14 C 1
   ATOM 204 O B ARG A 13 ? 1.87380 -17.19743 -1.64146 0.332 12.11378 O ? A ? 14 O 1
   ATOM 205 CB B ARG A 13 ? -0.20978 -19.30707 -2.93726 0.332 10.28740 C ? A ? 14 CB 1
   ATOM 206 CG B ARG A 13 ? 0.28414 -18.52206 -4.10437 0.332 19.06415 C ? A ? 14 CG 1
   ATOM 207 CD B ARG A 13 ? -0.63988 -18.71592 -5.28577 0.332 22.54648 C ? A ? 14 CD 1
   ATOM 208 NE B ARG A 13 ? -0.14189 -18.03505 -6.47490 0.332 26.02320 N ? A ? 14 NE 1
   ATOM 209 CZ B ARG A 13 ? -0.43470 -16.77866 -6.77640 0.332 22.81829 C ? A ? 14 CZ 1
   ATOM 210 NH1 B ARG A 13 ? -1.23517 -16.06003 -6.01859 0.332 26.58240 N ? A ? 14 NH1 1
   ATOM 211 NH2 B ARG A 13 ? 0.08565 -16.23014 -7.86479 0.332 28.71970 N ? A ? 14 NH2 1
   ATOM 212 N C ARG A 13 ? 0.54011 -20.46697 -0.65524 0.304 8.22405 N ? A ? 14 N 1
   ATOM 213 CA C ARG A 13 ? 1.16733 -19.58202 -1.63410 0.304 8.72181 C ? A ? 14 CA 1
   ATOM 214 C C ARG A 13 ? 1.35938 -18.16119 -1.12562 0.304 9.54488 C ? A ? 14 C 1
   ATOM 215 O C ARG A 13 ? 2.39089 -17.53728 -1.39736 0.304 9.81629 O ? A ? 14 O 1
   ATOM 216 CB C ARG A 13 ? 0.37439 -19.58652 -2.95496 0.304 10.89703 C ? A ? 14 CB 1
   ATOM 217 CG C ARG A 13 ? 0.35710 -18.29725 -3.74480 0.304 17.28798 C ? A ? 14 CG 1
   ATOM 218 CD C ARG A 13 ? -0.36892 -18.51062 -5.06301 0.304 22.67700 C ? A ? 14 CD 1
   ATOM 219 NE C ARG A 13 ? -0.73497 -17.25441 -5.69847 0.304 18.77897 N ? A ? 14 NE 1
   ATOM 220 CZ C ARG A 13 ? -1.92836 -16.68833 -5.58726 0.304 22.48196 C ? A ? 14 CZ 1
   ATOM 221 NH1 C ARG A 13 ? -2.87587 -17.21284 -4.82445 0.304 23.52055 N ? A ? 14 NH1 1
   ATOM 222 NH2 C ARG A 13 ? -2.15916 -15.53676 -6.21060 0.304 28.97888 N ? A ? 14 NH2 1
   ATOM 223 N A THR A 14 ? 0.00407 -17.42717 -0.32208 0.364 8.07207 N ? A ? 15 N 1
   ATOM 224 CA A THR A 14 ? -0.10933 -16.01627 0.02754 0.364 9.32466 C ? A ? 15 CA 1
   ATOM 225 C A THR A 14 ? 0.37099 -15.88520 1.47370 0.364 8.20666 C ? A ? 15 C 1
   ATOM 226 O A THR A 14 ? -0.34368 -16.26958 2.40691 0.364 8.09747 O ? A ? 15 O 1
   ATOM 227 CB A THR A 14 ? -1.56613 -15.57693 -0.05518 0.364 10.07316 C ? A ? 15 CB 1
   ATOM 228 OG1 A THR A 14 ? -2.12094 -15.94739 -1.31727 0.364 11.54331 O ? A ? 15 OG1 1
   ATOM 229 CG2 A THR A 14 ? -1.65576 -14.06354 0.05688 0.364 12.45165 C ? A ? 15 CG2 1
   ATOM 230 N B THR A 14 ? 0.07780 -17.41253 -0.30442 0.332 8.15487 N ? A ? 15 N 1
   ATOM 231 CA B THR A 14 ? 0.02920 -16.00514 0.07952 0.332 9.47994 C ? A ? 15 CA 1
   ATOM 232 C B THR A 14 ? 0.51245 -15.89089 1.53218 0.332 7.66928 C ? A ? 15 C 1
   ATOM 233 O B THR A 14 ? -0.27201 -16.07508 2.47338 0.332 8.23673 O ? A ? 15 O 1
   ATOM 234 CB B THR A 14 ? -1.39937 -15.48131 -0.05931 0.332 9.93629 C ? A ? 15 CB 1
   ATOM 235 OG1 B THR A 14 ? -1.95211 -15.85450 -1.32551 0.332 11.48643 O ? A ? 15 OG1 1
   ATOM 236 CG2 B THR A 14 ? -1.40689 -13.97709 0.02487 0.332 11.67096 C ? A ? 15 CG2 1
   ATOM 237 N C THR A 14 ? 0.40619 -17.63015 -0.37338 0.304 8.19445 N ? A ? 15 N 1
   ATOM 238 CA C THR A 14 ? 0.38752 -16.21740 -0.01461 0.304 7.51919 C ? A ? 15 CA 1
   ATOM 239 C C THR A 14 ? 0.73668 -16.09942 1.46150 0.304 6.91704 C ? A ? 15 C 1
   ATOM 240 O C THR A 14 ? -0.03366 -16.56517 2.31518 0.304 6.40037 O ? A ? 15 O 1
   ATOM 241 CB C THR A 14 ? -1.01576 -15.65050 -0.26272 0.304 7.42920 C ? A ? 15 CB 1
   ATOM 242 OG1 C THR A 14 ? -1.50792 -16.11009 -1.52956 0.304 9.31698 O ? A ? 15 OG1 1
   ATOM 243 CG2 C THR A 14 ? -1.05618 -14.13089 -0.23523 0.304 9.90690 C ? A ? 15 CG2 1
   ATOM 244 N A PHE A 15 ? 1.55664 -15.35672 1.67767 0.364 7.13432 N ? A ? 16 N 1
   ATOM 245 CA A PHE A 15 ? 2.18111 -15.21892 2.98710 0.364 9.56922 C ? A ? 16 CA 1
   ATOM 246 C A PHE A 15 ? 2.31983 -13.73982 3.30657 0.364 7.81543 C ? A ? 16 C 1
   ATOM 247 O A PHE A 15 ? 2.52184 -12.92170 2.39397 0.364 9.75477 O ? A ? 16 O 1
   ATOM 248 CB A PHE A 15 ? 3.57147 -15.86450 3.00808 0.364 9.97288 C ? A ? 16 CB 1
   ATOM 249 CG A PHE A 15 ? 3.55085 -17.37453 2.91774 0.364 9.63333 C ? A ? 16 CG 1
   ATOM 250 CD1 A PHE A 15 ? 3.49837 -18.02032 1.68373 0.364 9.84515 C ? A ? 16 CD1 1
   ATOM 251 CD2 A PHE A 15 ? 3.54104 -18.14241 4.05746 0.364 9.37458 C ? A ? 16 CD2 1
   ATOM 252 CE1 A PHE A 15 ? 3.44529 -19.40820 1.62518 0.364 10.36786 C ? A ? 16 CE1 1
   ATOM 253 CE2 A PHE A 15 ? 3.50757 -19.52716 4.00283 0.364 10.04513 C ? A ? 16 CE2 1
   ATOM 254 CZ A PHE A 15 ? 3.45705 -20.16383 2.78999 0.364 10.13334 C ? A ? 16 CZ 1
   ATOM 255 N B PHE A 15 ? 1.80170 -15.61829 1.72242 0.332 9.05858 N ? A ? 16 N 1
   ATOM 256 CA B PHE A 15 ? 2.38454 -15.45214 3.06070 0.332 8.37401 C ? A ? 16 CA 1
   ATOM 257 C B PHE A 15 ? 2.60689 -13.96417 3.33756 0.332 8.78664 C ? A ? 16 C 1
   ATOM 258 O B PHE A 15 ? 3.03028 -13.22010 2.43663 0.332 9.98010 O ? A ? 16 O 1
   ATOM 259 CB B PHE A 15 ? 3.70114 -16.22003 3.16938 0.332 8.92257 C ? A ? 16 CB 1
   ATOM 260 CG B PHE A 15 ? 3.55355 -17.70428 2.98103 0.332 9.15777 C ? A ? 16 CG 1
   ATOM 261 CD1 B PHE A 15 ? 3.44724 -18.27978 1.70021 0.332 9.17053 C ? A ? 16 CD1 1
   ATOM 262 CD2 B PHE A 15 ? 3.50804 -18.53436 4.07439 0.332 9.35018 C ? A ? 16 CD2 1
   ATOM 263 CE1 B PHE A 15 ? 3.30176 -19.64473 1.56976 0.332 10.10011 C ? A ? 16 CE1 1
   ATOM 264 CE2 B PHE A 15 ? 3.37136 -19.89342 3.92214 0.332 9.46925 C ? A ? 16 CE2 1
   ATOM 265 CZ B PHE A 15 ? 3.28002 -20.44703 2.67692 0.332 10.14596 C ? A ? 16 CZ 1
   ATOM 266 N C PHE A 15 ? 1.87117 -15.45170 1.75545 0.304 8.96695 N ? A ? 16 N 1
   ATOM 267 CA C PHE A 15 ? 2.39158 -15.26868 3.09969 0.304 8.20812 C ? A ? 16 CA 1
   ATOM 268 C C PHE A 15 ? 2.49817 -13.77672 3.39493 0.304 8.55951 C ? A ? 16 C 1
   ATOM 269 O C PHE A 15 ? 2.73528 -12.96435 2.48571 0.304 10.11037 O ? A ? 16 O 1
   ATOM 270 CB C PHE A 15 ? 3.75380 -15.95577 3.26613 0.304 10.33214 C ? A ? 16 CB 1
   ATOM 271 CG C PHE A 15 ? 3.69424 -17.44780 3.12069 0.304 8.39729 C ? A ? 16 CG 1
   ATOM 272 CD1 C PHE A 15 ? 3.67847 -18.02933 1.85210 0.304 10.13314 C ? A ? 16 CD1 1
   ATOM 273 CD2 C PHE A 15 ? 3.61950 -18.27328 4.23280 0.304 10.00597 C ? A ? 16 CD2 1
   ATOM 274 CE1 C PHE A 15 ? 3.58846 -19.41444 1.72846 0.304 10.27262 C ? A ? 16 CE1 1
   ATOM 275 CE2 C PHE A 15 ? 3.54260 -19.65314 4.10958 0.304 10.04294 C ? A ? 16 CE2 1
   ATOM 276 CZ C PHE A 15 ? 3.52738 -20.22904 2.86647 0.304 9.85241 C ? A ? 16 CZ 1
   ATOM 277 N A PRO A 16 ? 2.26225 -13.39027 4.58649 0.364 8.94338 N ? A ? 17 N 1
   ATOM 278 CA A PRO A 16 ? 2.36903 -11.98645 4.97900 0.364 10.37392 C ? A ? 17 CA 1
   ATOM 279 C A PRO A 16 ? 3.68033 -11.34693 4.54339 0.364 10.46503 C ? A ? 17 C 1
   ATOM 280 O A PRO A 16 ? 4.75476 -11.93876 4.66242 0.364 13.30686 O ? A ? 17 O 1
   ATOM 281 CB A PRO A 16 ? 2.27983 -12.05560 6.50661 0.364 10.51562 C ? A ? 17 CB 1
   ATOM 282 CG A PRO A 16 ? 1.40723 -13.21299 6.72522 0.364 9.71920 C ? A ? 17 CG 1
   ATOM 283 CD A PRO A 16 ? 1.84145 -14.23567 5.71648 0.364 9.19248 C ? A ? 17 CD 1
   ATOM 284 N B PRO A 16 ? 2.30339 -13.45040 4.52853 0.332 8.98362 N ? A ? 17 N 1
   ATOM 285 CA B PRO A 16 ? 2.24399 -11.98644 4.69576 0.332 10.28010 C ? A ? 17 CA 1
   ATOM 286 C B PRO A 16 ? 3.60614 -11.32299 4.59307 0.332 10.75727 C ? A ? 17 C 1
   ATOM 287 O B PRO A 16 ? 4.62674 -11.85393 5.03485 0.332 11.62106 O ? A ? 17 O 1
   ATOM 288 CB B PRO A 16 ? 1.64820 -11.79995 6.09248 0.332 8.92233 C ? A ? 17 CB 1
   ATOM 289 CG B PRO A 16 ? 1.97740 -13.11729 6.78962 0.332 10.30273 C ? A ? 17 CG 1
   ATOM 290 CD B PRO A 16 ? 1.85139 -14.16649 5.72788 0.332 9.29894 C ? A ? 17 CD 1
   ATOM 291 N C PRO A 16 ? 2.33007 -13.39119 4.65130 0.304 8.92974 N ? A ? 17 N 1
   ATOM 292 CA C PRO A 16 ? 2.32993 -11.96641 4.99654 0.304 10.42881 C ? A ? 17 CA 1
   ATOM 293 C C PRO A 16 ? 3.65532 -11.29431 4.67591 0.304 10.85004 C ? A ? 17 C 1
   ATOM 294 O C PRO A 16 ? 4.71599 -11.79834 5.04023 0.304 11.74300 O ? A ? 17 O 1
   ATOM 295 CB C PRO A 16 ? 2.10482 -11.98330 6.51159 0.304 11.14370 C ? A ? 17 CB 1
   ATOM 296 CG C PRO A 16 ? 1.32501 -13.20717 6.72576 0.304 9.69035 C ? A ? 17 CG 1
   ATOM 297 CD C PRO A 16 ? 1.92137 -14.22923 5.78824 0.304 9.27122 C ? A ? 17 CD 1
   ATOM 298 N . LYS A 17 ? 3.56590 -10.10608 4.07141 1.000 12.06479 N ? A ? 18 N 1
   ATOM 299 CA . LYS A 17 ? 4.69622 -9.25925 3.76211 1.000 12.93364 C ? A ? 18 CA 1
   ATOM 300 C . LYS A 17 ? 4.56277 -7.93089 4.51727 1.000 12.13311 C ? A ? 18 C 1
   ATOM 301 O . LYS A 17 ? 3.47063 -7.48296 4.88972 1.000 12.40640 O ? A ? 18 O 1
   ATOM 302 CB A LYS A 17 ? 4.83350 -9.05372 2.24501 0.248 15.02993 C ? A ? 18 CB 1
   ATOM 303 CG A LYS A 17 ? 5.20297 -10.34638 1.48981 0.248 16.13297 C ? A ? 18 CG 1
   ATOM 304 CD A LYS A 17 ? 4.72115 -10.31834 0.04487 0.248 17.90070 C ? A ? 18 CD 1
   ATOM 305 CE A LYS A 17 ? 5.06173 -11.61786 -0.66515 0.248 19.69749 C ? A ? 18 CE 1
   ATOM 306 NZ A LYS A 17 ? 4.28317 -11.79628 -1.92813 0.248 17.78852 N ? A ? 18 NZ 1
   ATOM 307 CB B LYS A 17 ? 4.80296 -9.02410 2.24328 0.341 15.07356 C ? A ? 18 CB 1
   ATOM 308 CG B LYS A 17 ? 5.03329 -10.32051 1.43521 0.341 16.15698 C ? A ? 18 CG 1
   ATOM 309 CD B LYS A 17 ? 5.16139 -10.05756 -0.05951 0.341 18.77406 C ? A ? 18 CD 1
   ATOM 310 CE B LYS A 17 ? 5.61159 -11.30358 -0.82318 0.341 20.23365 C ? A ? 18 CE 1
   ATOM 311 NZ B LYS A 17 ? 5.76357 -11.02515 -2.27489 0.341 26.08611 N ? A ? 18 NZ 1
   ATOM 312 CB C LYS A 17 ? 4.75438 -8.97087 2.25926 0.411 14.97845 C ? A ? 18 CB 1
   ATOM 313 CG C LYS A 17 ? 5.05569 -10.18974 1.47604 0.411 16.22063 C ? A ? 18 CG 1
   ATOM 314 CD C LYS A 17 ? 6.12081 -10.94601 2.11473 0.411 20.71601 C ? A ? 18 CD 1
   ATOM 315 CE C LYS A 17 ? 6.08659 -12.13357 1.31592 0.411 22.86274 C ? A ? 18 CE 1
   ATOM 316 NZ C LYS A 17 ? 6.41949 -12.32468 -0.01058 0.411 23.32991 N ? A ? 18 NZ 1
   ATOM 317 N . ARG A 18 ? 5.71346 -7.27489 4.69083 1.000 14.71120 N ? A ? 19 N 1
   ATOM 318 CA . ARG A 18 ? 5.66149 -5.91509 5.21473 1.000 15.08508 C ? A ? 19 CA 1
   ATOM 319 C . ARG A 18 ? 4.80840 -5.03953 4.31080 1.000 13.03350 C ? A ? 19 C 1
   ATOM 320 O . ARG A 18 ? 4.76814 -5.21088 3.09254 1.000 14.17635 O ? A ? 19 O 1
   ATOM 321 CB A ARG A 18 ? 7.07226 -5.36241 5.46641 0.247 22.25413 C ? A ? 19 CB 1
   ATOM 322 CG A ARG A 18 ? 7.79514 -6.07674 6.61482 0.247 24.61352 C ? A ? 19 CG 1
   ATOM 323 CD A ARG A 18 ? 9.14661 -5.45498 6.94079 0.247 26.81745 C ? A ? 19 CD 1
   ATOM 324 NE A ARG A 18 ? 9.77233 -6.12017 8.07794 0.247 25.93110 N ? A ? 19 NE 1
   ATOM 325 CZ A ARG A 18 ? 11.00438 -5.87876 8.50159 0.247 25.05636 C ? A ? 19 CZ 1
   ATOM 326 NH1 A ARG A 18 ? 11.77889 -4.99162 7.90145 0.247 29.02884 N ? A ? 19 NH1 1
   ATOM 327 NH2 A ARG A 18 ? 11.47069 -6.54520 9.55289 0.247 28.16137 N ? A ? 19 NH2 1
   ATOM 328 CB B ARG A 18 ? 7.07566 -5.35164 5.38166 0.405 22.18753 C ? A ? 19 CB 1
   ATOM 329 CG B ARG A 18 ? 7.81216 -5.86524 6.61942 0.405 24.92209 C ? A ? 19 CG 1
   ATOM 330 CD B ARG A 18 ? 9.31461 -5.62863 6.49299 0.405 27.22887 C ? A ? 19 CD 1
   ATOM 331 NE B ARG A 18 ? 10.07135 -6.15455 7.62459 0.405 28.65652 N ? A ? 19 NE 1
   ATOM 332 CZ B ARG A 18 ? 10.33693 -7.43915 7.82536 0.405 30.83982 C ? A ? 19 CZ 1
   ATOM 333 NH1 B ARG A 18 ? 9.85343 -8.38201 7.03126 0.405 30.38690 N ? A ? 19 NH1 1
   ATOM 334 NH2 B ARG A 18 ? 11.12031 -7.78659 8.84020 0.405 25.32855 N ? A ? 19 NH2 1
   ATOM 335 CB C ARG A 18 ? 7.07800 -5.35114 5.36325 0.348 22.22036 C ? A ? 19 CB 1
   ATOM 336 CG C ARG A 18 ? 7.84809 -5.86914 6.58112 0.348 24.90741 C ? A ? 19 CG 1
   ATOM 337 CD C ARG A 18 ? 9.12713 -5.05707 6.81193 0.348 26.83346 C ? A ? 19 CD 1
   ATOM 338 NE C ARG A 18 ? 8.89631 -3.62896 6.62994 0.348 27.98109 N ? A ? 19 NE 1
   ATOM 339 CZ C ARG A 18 ? 9.37399 -2.91389 5.62094 0.348 30.05677 C ? A ? 19 CZ 1
   ATOM 340 NH1 C ARG A 18 ? 10.16439 -3.45154 4.70526 0.348 30.13669 N ? A ? 19 NH1 1
   ATOM 341 NH2 C ARG A 18 ? 9.05364 -1.62576 5.53104 0.348 31.07741 N ? A ? 19 NH2 1
   ATOM 342 N B GLY A 19 ? 4.10374 -4.10495 4.92702 0.081 14.80216 N ? A ? 20 N 1
   ATOM 343 CA B GLY A 19 ? 3.20804 -3.24367 4.20126 0.081 15.17073 C ? A ? 20 CA 1
   ATOM 344 C B GLY A 19 ? 1.79298 -3.75717 4.08357 0.081 15.00906 C ? A ? 20 C 1
   ATOM 345 O B GLY A 19 ? 0.92811 -3.02196 3.59770 0.081 17.59734 O ? A ? 20 O 1
   ATOM 346 N C GLY A 19 ? 4.07858 -4.12157 4.92942 0.566 14.45939 N ? A ? 20 N 1
   ATOM 347 CA C GLY A 19 ? 3.17056 -3.25895 4.21059 0.566 15.21343 C ? A ? 20 CA 1
   ATOM 348 C C GLY A 19 ? 1.76222 -3.78452 4.11260 0.566 14.22072 C ? A ? 20 C 1
   ATOM 349 O C GLY A 19 ? 0.88155 -3.06782 3.63817 0.566 17.39234 O ? A ? 20 O 1
   ATOM 350 N D GLY A 19 ? 4.11723 -4.09448 4.92819 0.353 14.66179 N ? A ? 20 N 1
   ATOM 351 CA D GLY A 19 ? 3.20841 -3.22929 4.22439 0.353 15.18338 C ? A ? 20 CA 1
   ATOM 352 C D GLY A 19 ? 1.78844 -3.73294 4.18595 0.353 14.50905 C ? A ? 20 C 1
   ATOM 353 O D GLY A 19 ? 0.86768 -2.93826 3.98217 0.353 16.87405 O ? A ? 20 O 1
   ATOM 354 N B GLN A 20 ? 1.52402 -4.98822 4.50883 0.081 14.94756 N ? A ? 21 N 1
   ATOM 355 CA B GLN A 20 ? 0.18502 -5.55383 4.48708 0.081 15.03068 C ? A ? 21 CA 1
   ATOM 356 C B GLN A 20 ? -0.37902 -5.58351 5.89932 0.081 13.10244 C ? A ? 21 C 1
   ATOM 357 O B GLN A 20 ? 0.35954 -5.58211 6.88609 0.081 12.33218 O ? A ? 21 O 1
   ATOM 358 CB B GLN A 20 ? 0.20116 -6.97789 3.92114 0.081 13.48316 C ? A ? 21 CB 1
   ATOM 359 CG B GLN A 20 ? 0.89744 -7.10219 2.57800 0.081 14.30990 C ? A ? 21 CG 1
   ATOM 360 CD B GLN A 20 ? 0.70600 -8.46927 1.95704 0.081 15.36755 C ? A ? 21 CD 1
   ATOM 361 OE1 B GLN A 20 ? 1.56248 -9.34655 2.07871 0.081 14.37725 O ? A ? 21 OE1 1
   ATOM 362 NE2 B GLN A 20 ? -0.42311 -8.65727 1.27846 0.081 16.03341 N ? A ? 21 NE2 1
   ATOM 363 N C GLN A 20 ? 1.49879 -5.00921 4.55894 0.566 14.49933 N ? A ? 21 N 1
   ATOM 364 CA C GLN A 20 ? 0.17342 -5.60080 4.49094 0.566 14.68231 C ? A ? 21 CA 1
   ATOM 365 C C GLN A 20 ? -0.44029 -5.63687 5.88114 0.566 12.65857 C ? A ? 21 C 1
   ATOM 366 O C GLN A 20 ? 0.25441 -5.76741 6.88983 0.566 11.16045 O ? A ? 21 O 1
   ATOM 367 CB C GLN A 20 ? 0.24965 -7.03400 3.94119 0.566 12.56049 C ? A ? 21 CB 1
   ATOM 368 CG C GLN A 20 ? 0.84360 -7.08361 2.54868 0.566 13.93318 C ? A ? 21 CG 1
   ATOM 369 CD C GLN A 20 ? 0.66621 -8.44149 1.89065 0.566 14.84237 C ? A ? 21 CD 1
   ATOM 370 OE1 C GLN A 20 ? 1.28249 -9.42094 2.27610 0.566 14.23878 O ? A ? 21 OE1 1
   ATOM 371 NE2 C GLN A 20 ? -0.15625 -8.49795 0.84875 0.566 16.30284 N ? A ? 21 NE2 1
   ATOM 372 N D GLN A 20 ? 1.57721 -5.02815 4.40059 0.353 14.95249 N ? A ? 21 N 1
   ATOM 373 CA D GLN A 20 ? 0.24150 -5.59215 4.41679 0.353 14.93151 C ? A ? 21 CA 1
   ATOM 374 C D GLN A 20 ? -0.28232 -5.56806 5.83745 0.353 12.84305 C ? A ? 21 C 1
   ATOM 375 O D GLN A 20 ? 0.48869 -5.59649 6.80334 0.353 11.88553 O ? A ? 21 O 1
   ATOM 376 CB D GLN A 20 ? 0.27433 -7.04053 3.92048 0.353 13.01247 C ? A ? 21 CB 1
   ATOM 377 CG D GLN A 20 ? 0.96581 -7.21807 2.56954 0.353 14.37370 C ? A ? 21 CG 1
   ATOM 378 CD D GLN A 20 ? 1.12990 -8.68417 2.21331 0.353 15.88572 C ? A ? 21 CD 1
   ATOM 379 OE1 D GLN A 20 ? 1.04800 -9.56176 3.08596 0.353 16.15249 O ? A ? 21 OE1 1
   ATOM 380 NE2 D GLN A 20 ? 1.39217 -8.95716 0.93440 0.353 18.83245 N ? A ? 21 NE2 1
   ATOM 381 N B THR A 21 ? -1.70263 -5.61056 5.99025 0.081 13.05235 N ? A ? 22 N 1
   ATOM 382 CA B THR A 21 ? -2.39602 -5.71751 7.27051 0.081 12.43948 C ? A ? 22 CA 1
   ATOM 383 C B THR A 21 ? -3.00763 -7.10365 7.38828 0.081 11.38294 C ? A ? 22 C 1
   ATOM 384 O B THR A 21 ? -3.92134 -7.45052 6.62767 0.081 11.60975 O ? A ? 22 O 1
   ATOM 385 CB B THR A 21 ? -3.46496 -4.64155 7.41050 0.081 15.20013 C ? A ? 22 CB 1
   ATOM 386 OG1 B THR A 21 ? -2.81470 -3.37857 7.54560 0.081 15.68080 O ? A ? 22 OG1 1
   ATOM 387 CG2 B THR A 21 ? -4.32476 -4.88873 8.64260 0.081 14.10566 C ? A ? 22 CG2 1
   ATOM 388 N C THR A 21 ? -1.73996 -5.53891 5.94445 0.566 13.22985 N ? A ? 22 N 1
   ATOM 389 CA C THR A 21 ? -2.44863 -5.70165 7.20313 0.566 12.38042 C ? A ? 22 CA 1
   ATOM 390 C C THR A 21 ? -2.92811 -7.13339 7.30936 0.566 11.22166 C ? A ? 22 C 1
   ATOM 391 O C THR A 21 ? -3.86016 -7.52772 6.56618 0.566 11.04134 O ? A ? 22 O 1
   ATOM 392 CB C THR A 21 ? -3.60253 -4.72162 7.27764 0.566 16.55702 C ? A ? 22 CB 1
   ATOM 393 OG1 C THR A 21 ? -3.05487 -3.42862 7.03125 0.566 21.42063 O ? A ? 22 OG1 1
   ATOM 394 CG2 C THR A 21 ? -4.25918 -4.74111 8.66631 0.566 15.47859 C ? A ? 22 CG2 1
   ATOM 395 N D THR A 21 ? -1.60106 -5.48572 5.95551 0.353 12.85444 N ? A ? 22 N 1
   ATOM 396 CA D THR A 21 ? -2.29459 -5.72332 7.21023 0.353 12.61446 C ? A ? 22 CA 1
   ATOM 397 C D THR A 21 ? -2.83053 -7.15261 7.25498 0.353 10.93776 C ? A ? 22 C 1
   ATOM 398 O D THR A 21 ? -3.34677 -7.68852 6.25639 0.353 7.89793 O ? A ? 22 O 1
   ATOM 399 CB D THR A 21 ? -3.41384 -4.69249 7.46053 0.353 15.59039 C ? A ? 22 CB 1
   ATOM 400 OG1 D THR A 21 ? -2.85549 -3.37543 7.62584 0.353 16.09498 O ? A ? 22 OG1 1
   ATOM 401 CG2 D THR A 21 ? -4.22156 -5.02890 8.70459 0.353 14.54496 C ? A ? 22 CG2 1
   ATOM 402 N B CYS A 22 ? -2.49875 -7.88853 8.33897 0.081 8.90906 N ? A ? 23 N 1
   ATOM 403 CA B CYS A 22 ? -3.07202 -9.18912 8.63757 0.081 8.44343 C ? A ? 23 CA 1
   ATOM 404 C B CYS A 22 ? -4.34979 -9.02110 9.45023 0.081 7.85715 C ? A ? 23 C 1
   ATOM 405 O B CYS A 22 ? -4.40437 -8.22666 10.39690 0.081 8.47797 O ? A ? 23 O 1
   ATOM 406 CB B CYS A 22 ? -2.06991 -10.03461 9.42648 0.081 9.46949 C ? A ? 23 CB 1
   ATOM 407 SG B CYS A 22 ? -0.40952 -10.14752 8.68523 0.081 9.76613 S ? A ? 23 SG 1
   ATOM 408 N C CYS A 22 ? -2.30071 -7.89021 8.24669 0.566 8.48091 N ? A ? 23 N 1
   ATOM 409 CA C CYS A 22 ? -2.82336 -9.19642 8.58638 0.566 8.60791 C ? A ? 23 CA 1
   ATOM 410 C C CYS A 22 ? -4.11767 -9.04076 9.36298 0.566 8.35457 C ? A ? 23 C 1
   ATOM 411 O C CYS A 22 ? -4.21218 -8.24586 10.31437 0.566 8.80467 O ? A ? 23 O 1
   ATOM 412 CB C CYS A 22 ? -1.84041 -9.93082 9.47069 0.566 9.49566 C ? A ? 23 CB 1
   ATOM 413 SG C CYS A 22 ? -0.37366 -10.46025 8.66599 0.566 10.92389 S ? A ? 23 SG 1
   ATOM 414 N D CYS A 22 ? -2.77005 -7.73262 8.45076 0.353 7.22527 N ? A ? 23 N 1
   ATOM 415 CA D CYS A 22 ? -3.11821 -9.12506 8.66839 0.353 8.10823 C ? A ? 23 CA 1
   ATOM 416 C D CYS A 22 ? -4.32628 -9.14255 9.59363 0.353 7.30967 C ? A ? 23 C 1
   ATOM 417 O D CYS A 22 ? -4.21052 -8.64926 10.72304 0.353 8.22486 O ? A ? 23 O 1
   ATOM 418 CB D CYS A 22 ? -1.90443 -9.84885 9.30073 0.353 9.57908 C ? A ? 23 CB 1
   ATOM 419 SG D CYS A 22 ? -0.20269 -9.69909 8.47298 0.353 11.63901 S ? A ? 23 SG 1
   ATOM 420 N B VAL A 23 ? -5.37825 -9.77546 9.07659 0.081 7.48630 N ? A ? 24 N 1
   ATOM 421 CA B VAL A 23 ? -6.63071 -9.83359 9.81515 0.081 7.81032 C ? A ? 24 CA 1
   ATOM 422 C B VAL A 23 ? -6.77818 -11.26413 10.30524 0.081 7.03202 C ? A ? 24 C 1
   ATOM 423 O B VAL A 23 ? -6.81444 -12.20035 9.49769 0.081 6.73119 O ? A ? 24 O 1
   ATOM 424 CB B VAL A 23 ? -7.82782 -9.41930 8.94670 0.081 8.03740 C ? A ? 24 CB 1
   ATOM 425 CG1 B VAL A 23 ? -9.07189 -9.27351 9.80297 0.081 9.72682 C ? A ? 24 CG1 1
   ATOM 426 CG2 B VAL A 23 ? -7.52525 -8.13035 8.19499 0.081 9.50283 C ? A ? 24 CG2 1
   ATOM 427 N C VAL A 23 ? -5.09304 -9.85328 8.99048 0.566 8.31756 N ? A ? 24 N 1
   ATOM 428 CA C VAL A 23 ? -6.36297 -9.86097 9.66469 0.566 7.30265 C ? A ? 24 CA 1
   ATOM 429 C C VAL A 23 ? -6.52318 -11.27646 10.19531 0.566 7.49648 C ? A ? 24 C 1
   ATOM 430 O C VAL A 23 ? -6.47016 -12.23001 9.40194 0.566 7.00140 O ? A ? 24 O 1
   ATOM 431 CB C VAL A 23 ? -7.50981 -9.47259 8.71835 0.566 8.99719 C ? A ? 24 CB 1
   ATOM 432 CG1 C VAL A 23 ? -8.77588 -9.37361 9.54525 0.566 10.23223 C ? A ? 24 CG1 1
   ATOM 433 CG2 C VAL A 23 ? -7.20638 -8.16011 8.01251 0.566 9.52692 C ? A ? 24 CG2 1
   ATOM 434 N D VAL A 23 ? -5.43831 -9.76222 9.14449 0.353 6.81902 N ? A ? 24 N 1
   ATOM 435 CA D VAL A 23 ? -6.70208 -9.84567 9.87280 0.353 7.59066 C ? A ? 24 CA 1
   ATOM 436 C D VAL A 23 ? -6.88425 -11.27555 10.37404 0.353 6.29191 C ? A ? 24 C 1
   ATOM 437 O D VAL A 23 ? -6.92071 -12.23083 9.58275 0.353 5.87585 O ? A ? 24 O 1
   ATOM 438 CB D VAL A 23 ? -7.89512 -9.43288 9.00301 0.353 7.30299 C ? A ? 24 CB 1
   ATOM 439 CG1 D VAL A 23 ? -9.17998 -9.53169 9.81349 0.353 8.95423 C ? A ? 24 CG1 1
   ATOM 440 CG2 D VAL A 23 ? -7.66281 -8.05674 8.37978 0.353 8.97951 C ? A ? 24 CG2 1
   ATOM 441 N B VAL A 24 ? -6.83380 -11.44146 11.62055 0.081 7.29105 N ? A ? 25 N 1
   ATOM 442 CA B VAL A 24 ? -6.79757 -12.77264 12.20127 0.081 7.55634 C ? A ? 25 CA 1
   ATOM 443 C B VAL A 24 ? -7.89299 -12.88122 13.25823 0.081 8.28160 C ? A ? 25 C 1
   ATOM 444 O B VAL A 24 ? -8.35985 -11.87830 13.80326 0.081 8.54606 O ? A ? 25 O 1
   ATOM 445 CB B VAL A 24 ? -5.41177 -13.10607 12.81242 0.081 7.31543 C ? A ? 25 CB 1
   ATOM 446 CG1 B VAL A 24 ? -4.29170 -12.98836 11.77909 0.081 8.27974 C ? A ? 25 CG1 1
   ATOM 447 CG2 B VAL A 24 ? -5.11084 -12.20675 13.99189 0.081 6.30567 C ? A ? 25 CG2 1
   ATOM 448 N C VAL A 24 ? -6.71772 -11.42718 11.52063 0.566 7.43771 N ? A ? 25 N 1
   ATOM 449 CA C VAL A 24 ? -6.82155 -12.74869 12.15724 0.566 7.58464 C ? A ? 25 CA 1
   ATOM 450 C C VAL A 24 ? -7.97418 -12.86256 13.16926 0.566 8.12738 C ? A ? 25 C 1
   ATOM 451 O C VAL A 24 ? -8.45634 -11.86473 13.71581 0.566 9.07811 O ? A ? 25 O 1
   ATOM 452 CB C VAL A 24 ? -5.58665 -13.18414 12.94310 0.566 7.09802 C ? A ? 25 CB 1
   ATOM 453 CG1 C VAL A 24 ? -4.35206 -12.95373 12.13825 0.566 8.74707 C ? A ? 25 CG1 1
   ATOM 454 CG2 C VAL A 24 ? -5.45886 -12.41968 14.27478 0.566 6.08411 C ? A ? 25 CG2 1
   ATOM 455 N D VAL A 24 ? -7.01395 -11.42956 11.68128 0.353 6.14913 N ? A ? 25 N 1
   ATOM 456 CA D VAL A 24 ? -6.87792 -12.73674 12.26053 0.353 7.75234 C ? A ? 25 CA 1
   ATOM 457 C D VAL A 24 ? -7.99531 -12.88788 13.27206 0.353 8.23145 C ? A ? 25 C 1
   ATOM 458 O D VAL A 24 ? -8.53295 -11.92197 13.82747 0.353 7.87106 O ? A ? 25 O 1
   ATOM 459 CB D VAL A 24 ? -5.47985 -12.97816 12.89437 0.353 7.65065 C ? A ? 25 CB 1
   ATOM 460 CG1 D VAL A 24 ? -4.30653 -12.91272 11.88881 0.353 8.66216 C ? A ? 25 CG1 1
   ATOM 461 CG2 D VAL A 24 ? -5.19762 -11.99873 13.99275 0.353 6.55409 C ? A ? 25 CG2 1
   ATOM 462 N . HIS A 25 ? -8.31007 -14.12323 13.53397 1.000 7.84346 N ? A ? 26 N 1
   ATOM 463 CA . HIS A 25 ? -8.92561 -14.48391 14.81018 1.000 7.19402 C ? A ? 26 CA 1
   ATOM 464 C . HIS A 25 ? -7.90117 -15.21604 15.64108 1.000 6.30952 C ? A ? 26 C 1
   ATOM 465 O . HIS A 25 ? -7.01916 -15.89008 15.10254 1.000 7.03208 O ? A ? 26 O 1
   ATOM 466 CB A HIS A 25 ? -10.07684 -15.50567 14.65127 0.383 9.34798 C ? A ? 26 CB 1
   ATOM 467 CG A HIS A 25 ? -11.29273 -14.94206 14.00182 0.383 10.13719 C ? A ? 26 CG 1
   ATOM 468 ND1 A HIS A 25 ? -12.30454 -15.71890 13.48948 0.383 19.21236 N ? A ? 26 ND1 1
   ATOM 469 CD2 A HIS A 25 ? -11.64902 -13.65928 13.77899 0.383 13.58451 C ? A ? 26 CD2 1
   ATOM 470 CE1 A HIS A 25 ? -13.23526 -14.93503 12.98454 0.383 14.97610 C ? A ? 26 CE1 1
   ATOM 471 NE2 A HIS A 25 ? -12.85757 -13.68280 13.14387 0.383 14.19492 N ? A ? 26 NE2 1
   ATOM 472 CB B HIS A 25 ? -10.17626 -15.26055 14.61558 0.617 9.18104 C ? A ? 26 CB 1
   ATOM 473 CG B HIS A 25 ? -11.34543 -14.37452 14.52151 0.617 9.90081 C ? A ? 26 CG 1
   ATOM 474 ND1 B HIS A 25 ? -11.57322 -13.40613 15.46699 0.617 12.24791 N ? A ? 26 ND1 1
   ATOM 475 CD2 B HIS A 25 ? -12.37126 -14.31392 13.65751 0.617 13.61567 C ? A ? 26 CD2 1
   ATOM 476 CE1 B HIS A 25 ? -12.71077 -12.79177 15.20741 0.617 12.74446 C ? A ? 26 CE1 1
   ATOM 477 NE2 B HIS A 25 ? -13.19898 -13.30694 14.09922 0.617 13.47622 N ? A ? 26 NE2 1
   ATOM 478 N . TYR A 26 ? -7.93770 -14.99227 16.94871 1.000 7.39726 N ? A ? 27 N 1
   ATOM 479 CA . TYR A 26 ? -7.01384 -15.72354 17.80641 1.000 7.18854 C ? A ? 27 CA 1
   ATOM 480 C . TYR A 26 ? -7.66360 -16.08113 19.13191 1.000 7.07514 C ? A ? 27 C 1
   ATOM 481 O . TYR A 26 ? -8.55973 -15.38085 19.60663 1.000 7.53814 O ? A ? 27 O 1
   ATOM 482 CB A TYR A 26 ? -5.73164 -14.92842 18.08470 0.659 8.23060 C ? A ? 27 CB 1
   ATOM 483 CG A TYR A 26 ? -5.92605 -13.67779 18.97211 0.659 7.47466 C ? A ? 27 CG 1
   ATOM 484 CD1 A TYR A 26 ? -5.78514 -13.75252 20.32779 0.659 7.38089 C ? A ? 27 CD1 1
   ATOM 485 CD2 A TYR A 26 ? -6.21216 -12.43710 18.41526 0.659 8.60279 C ? A ? 27 CD2 1
   ATOM 486 CE1 A TYR A 26 ? -5.95095 -12.62703 21.14514 0.659 6.99776 C ? A ? 27 CE1 1
   ATOM 487 CE2 A TYR A 26 ? -6.40262 -11.31502 19.23008 0.659 8.70973 C ? A ? 27 CE2 1
   ATOM 488 CZ A TYR A 26 ? -6.27556 -11.42826 20.60427 0.659 8.29087 C ? A ? 27 CZ 1
   ATOM 489 OH A TYR A 26 ? -6.45349 -10.30070 21.38527 0.659 9.89462 O ? A ? 27 OH 1
   ATOM 490 CB C TYR A 26 ? -5.70960 -15.00277 18.05892 0.341 7.94294 C ? A ? 27 CB 1
   ATOM 491 CG C TYR A 26 ? -5.84476 -13.86227 19.02884 0.341 7.31601 C ? A ? 27 CG 1
   ATOM 492 CD1 C TYR A 26 ? -5.61758 -14.04247 20.37997 0.341 6.80166 C ? A ? 27 CD1 1
   ATOM 493 CD2 C TYR A 26 ? -6.17036 -12.59570 18.56848 0.341 7.63061 C ? A ? 27 CD2 1
   ATOM 494 CE1 C TYR A 26 ? -5.73363 -13.01497 21.26332 0.341 6.45018 C ? A ? 27 CE1 1
   ATOM 495 CE2 C TYR A 26 ? -6.29112 -11.55454 19.44633 0.341 7.57619 C ? A ? 27 CE2 1
   ATOM 496 CZ C TYR A 26 ? -6.07370 -11.77719 20.78852 0.341 5.50354 C ? A ? 27 CZ 1
   ATOM 497 OH C TYR A 26 ? -6.19064 -10.67615 21.59632 0.341 8.95486 O ? A ? 27 OH 1
   ATOM 498 N . THR A 27 ? -7.09089 -17.10835 19.76838 1.000 6.70769 N ? A ? 28 N 1
   ATOM 499 CA . THR A 27 ? -7.28971 -17.36569 21.17524 1.000 6.65840 C ? A ? 28 CA 1
   ATOM 500 C . THR A 27 ? -5.92717 -17.56785 21.78944 1.000 6.45317 C ? A ? 28 C 1
   ATOM 501 O . THR A 27 ? -5.10887 -18.34282 21.24073 1.000 7.91213 O ? A ? 28 O 1
   ATOM 502 CB A THR A 27 ? -8.16488 -18.59694 21.41738 0.555 9.25344 C ? A ? 28 CB 1
   ATOM 503 OG1 A THR A 27 ? -9.38630 -18.41922 20.68642 0.555 12.04685 O ? A ? 28 OG1 1
   ATOM 504 CG2 A THR A 27 ? -8.48701 -18.79455 22.88224 0.555 10.89506 C ? A ? 28 CG2 1
   ATOM 505 CB B THR A 27 ? -8.16886 -18.61251 21.39419 0.445 9.31134 C ? A ? 28 CB 1
   ATOM 506 OG1 B THR A 27 ? -9.50310 -18.30505 20.98067 0.445 11.08896 O ? A ? 28 OG1 1
   ATOM 507 CG2 B THR A 27 ? -8.21343 -19.09724 22.84878 0.445 9.47205 C ? A ? 28 CG2 1
   ATOM 508 N B GLY A 28 ? -5.65444 -16.87062 22.89202 0.245 6.63814 N ? A ? 29 N 1
   ATOM 509 CA B GLY A 28 ? -4.39393 -17.00840 23.60747 0.245 6.70415 C ? A ? 29 CA 1
   ATOM 510 C B GLY A 28 ? -4.58056 -17.82464 24.87518 0.245 6.71367 C ? A ? 29 C 1
   ATOM 511 O B GLY A 28 ? -5.56273 -17.63200 25.61639 0.245 6.90458 O ? A ? 29 O 1
   ATOM 512 N C GLY A 28 ? -5.65406 -16.87200 22.89260 0.256 6.63773 N ? A ? 29 N 1
   ATOM 513 CA C GLY A 28 ? -4.39266 -17.00969 23.60646 0.256 6.70263 C ? A ? 29 CA 1
   ATOM 514 C C GLY A 28 ? -4.58049 -17.82530 24.87442 0.256 6.70921 C ? A ? 29 C 1
   ATOM 515 O C GLY A 28 ? -5.56361 -17.63201 25.61531 0.256 6.90656 O ? A ? 29 O 1
   ATOM 516 N D GLY A 28 ? -5.66314 -16.91369 22.91547 0.499 6.53652 N ? A ? 29 N 1
   ATOM 517 CA D GLY A 28 ? -4.36629 -17.01143 23.58636 0.499 6.68249 C ? A ? 29 CA 1
   ATOM 518 C D GLY A 28 ? -4.55324 -17.78850 24.87544 0.499 6.68774 C ? A ? 29 C 1
   ATOM 519 O D GLY A 28 ? -5.53117 -17.51417 25.62828 0.499 6.57548 O ? A ? 29 O 1
   ATOM 520 N . MET A 29 ? -3.63593 -18.72412 25.12005 1.000 6.96231 N ? A ? 30 N 1
   ATOM 521 CA . MET A 29 ? -3.72013 -19.63092 26.24396 1.000 6.56467 C ? A ? 30 CA 1
   ATOM 522 C . MET A 29 ? -2.32766 -19.91510 26.79129 1.000 6.67877 C ? A ? 30 C 1
   ATOM 523 O . MET A 29 ? -1.30811 -19.71893 26.09937 1.000 7.32404 O ? A ? 30 O 1
   ATOM 524 CB B MET A 29 ? -4.60418 -20.83400 25.95793 0.591 12.04901 C ? A ? 30 CB 1
   ATOM 525 CG B MET A 29 ? -4.26855 -21.76510 24.86640 0.591 14.16541 C ? A ? 30 CG 1
   ATOM 526 SD B MET A 29 ? -5.78087 -22.47252 24.08583 0.591 11.52013 S ? A ? 30 SD 1
   ATOM 527 CE B MET A 29 ? -5.20298 -21.75610 22.57277 0.591 9.01913 C ? A ? 30 CE 1
   ATOM 528 CB C MET A 29 ? -4.31924 -20.95300 25.77874 0.409 5.89242 C ? A ? 30 CB 1
   ATOM 529 CG C MET A 29 ? -3.66557 -21.73014 24.73749 0.409 8.84508 C ? A ? 30 CG 1
   ATOM 530 SD C MET A 29 ? -4.85406 -22.89922 23.99168 0.409 7.69280 S ? A ? 30 SD 1
   ATOM 531 CE C MET A 29 ? -5.81938 -21.82955 22.98862 0.409 12.99948 C ? A ? 30 CE 1
   ATOM 532 N . LEU A 30 ? -2.26470 -20.36344 28.05830 1.000 7.79545 N ? A ? 31 N 1
   ATOM 533 CA . LEU A 30 ? -1.02440 -20.96723 28.54580 1.000 8.45986 C ? A ? 31 CA 1
   ATOM 534 C . LEU A 30 ? -0.87230 -22.36764 27.96514 1.000 9.15934 C ? A ? 31 C 1
   ATOM 535 O . LEU A 30 ? -1.76055 -22.86013 27.24936 1.000 8.55992 O ? A ? 31 O 1
   ATOM 536 CB A LEU A 30 ? -1.01967 -20.98998 30.07069 0.629 9.47733 C ? A ? 31 CB 1
   ATOM 537 CG A LEU A 30 ? -1.39223 -19.68126 30.78903 0.629 9.43717 C ? A ? 31 CG 1
   ATOM 538 CD1 A LEU A 30 ? -1.36842 -19.87749 32.32267 0.629 12.29398 C ? A ? 31 CD1 1
   ATOM 539 CD2 A LEU A 30 ? -0.48196 -18.53970 30.33023 0.629 11.08424 C ? A ? 31 CD2 1
   ATOM 540 CB C LEU A 30 ? -0.98844 -21.00668 30.05966 0.371 9.33449 C ? A ? 31 CB 1
   ATOM 541 CG C LEU A 30 ? -0.89814 -19.62989 30.70535 0.371 8.81414 C ? A ? 31 CG 1
   ATOM 542 CD1 C LEU A 30 ? -0.65144 -19.78671 32.18953 0.371 8.27062 C ? A ? 31 CD1 1
   ATOM 543 CD2 C LEU A 30 ? 0.15823 -18.78046 30.07980 0.371 10.90553 C ? A ? 31 CD2 1
   ATOM 544 N . GLU A 31 ? 0.27013 -23.03693 28.24482 1.000 9.55144 N ? A ? 32 N 1
   ATOM 545 CA . GLU A 31 ? 0.57010 -24.31871 27.66845 1.000 10.64494 C ? A ? 32 CA 1
   ATOM 546 C . GLU A 31 ? -0.42942 -25.37284 28.06681 1.000 12.28770 C ? A ? 32 C 1
   ATOM 547 O . GLU A 31 ? -0.54108 -26.37202 27.34549 1.000 15.60849 O ? A ? 32 O 1
   ATOM 548 CB A GLU A 31 ? 1.95399 -24.76394 28.08065 0.406 12.12050 C ? A ? 32 CB 1
   ATOM 549 CG A GLU A 31 ? 2.98889 -24.39449 27.10465 0.406 12.80559 C ? A ? 32 CG 1
   ATOM 550 CD A GLU A 31 ? 3.00180 -25.35934 25.96158 0.406 19.86745 C ? A ? 32 CD 1
   ATOM 551 OE1 A GLU A 31 ? 2.64913 -26.53186 26.19879 0.406 23.52889 O ? A ? 32 OE1 1
   ATOM 552 OE2 A GLU A 31 ? 3.32251 -24.95554 24.82229 0.406 17.84952 O ? A ? 32 OE2 1
   ATOM 553 CB C GLU A 31 ? 2.04711 -24.61425 27.96360 0.594 11.74302 C ? A ? 32 CB 1
   ATOM 554 CG C GLU A 31 ? 2.60701 -25.84938 27.41305 0.594 11.30692 C ? A ? 32 CG 1
   ATOM 555 CD C GLU A 31 ? 2.44021 -25.91557 25.95673 0.594 21.05109 C ? A ? 32 CD 1
   ATOM 556 OE1 C GLU A 31 ? 2.45844 -24.85000 25.30871 0.594 22.54791 O ? A ? 32 OE1 1
   ATOM 557 OE2 C GLU A 31 ? 2.31811 -27.05088 25.48307 0.594 23.23007 O ? A ? 32 OE2 1
   ATOM 558 N . ASP A 32 ? -1.12674 -25.20531 29.19318 1.000 10.13869 N ? A ? 33 N 1
   ATOM 559 CA . ASP A 32 ? -2.17269 -26.11970 29.64700 1.000 10.63209 C ? A ? 33 CA 1
   ATOM 560 C . ASP A 32 ? -3.55752 -25.76332 29.08563 1.000 10.75258 C ? A ? 33 C 1
   ATOM 561 O . ASP A 32 ? -4.56900 -26.36086 29.47385 1.000 13.05319 O ? A ? 33 O 1
   ATOM 562 CB . ASP A 32 ? -2.21218 -26.18955 31.15310 1.000 11.46158 C ? A ? 33 CB 1
   ATOM 563 CG . ASP A 32 ? -2.67163 -24.91549 31.77797 1.000 11.98372 C ? A ? 33 CG 1
   ATOM 564 OD1 . ASP A 32 ? -2.80665 -23.84348 31.10977 1.000 12.42412 O ? A ? 33 OD1 1
   ATOM 565 OD2 . ASP A 32 ? -2.88782 -24.96579 33.03367 1.000 14.60295 O ? A ? 33 OD2 1
   ATOM 566 N . GLY A 33 ? -3.64450 -24.83074 28.14940 1.000 9.03261 N ? A ? 34 N 1
   ATOM 567 CA . GLY A 33 ? -4.91252 -24.48301 27.53282 1.000 10.06471 C ? A ? 34 CA 1
   ATOM 568 C . GLY A 33 ? -5.69041 -23.43734 28.25263 1.000 10.94775 C ? A ? 34 C 1
   ATOM 569 O . GLY A 33 ? -6.75593 -23.02228 27.75142 1.000 11.96515 O ? A ? 34 O 1
   ATOM 570 N . LYS A 34 ? -5.22907 -22.98481 29.41076 1.000 11.04525 N ? A ? 35 N 1
   ATOM 571 CA . LYS A 34 ? -6.01493 -22.00688 30.12475 1.000 11.42273 C ? A ? 35 CA 1
   ATOM 572 C . LYS A 34 ? -6.02251 -20.70618 29.34763 1.000 10.11774 C ? A ? 35 C 1
   ATOM 573 O . LYS A 34 ? -4.99564 -20.07569 29.11633 1.000 9.32121 O ? A ? 35 O 1
   ATOM 574 CB A LYS A 34 ? -5.45898 -21.78404 31.52814 0.386 13.40886 C ? A ? 35 CB 1
   ATOM 575 CG A LYS A 34 ? -6.43553 -21.08281 32.46443 0.386 22.12246 C ? A ? 35 CG 1
   ATOM 576 CD A LYS A 34 ? -5.92371 -21.07883 33.90322 0.386 20.50199 C ? A ? 35 CD 1
   ATOM 577 CE A LYS A 34 ? -4.59556 -20.34303 33.98598 0.386 19.66527 C ? A ? 35 CE 1
   ATOM 578 NZ A LYS A 34 ? -3.86776 -20.61868 35.26731 0.386 26.50603 N ? A ? 35 NZ 1
   ATOM 579 CB B LYS A 34 ? -5.43298 -21.80731 31.51722 0.614 12.81140 C ? A ? 35 CB 1
   ATOM 580 CG B LYS A 34 ? -6.47360 -21.37979 32.53493 0.614 23.61867 C ? A ? 35 CG 1
   ATOM 581 CD B LYS A 34 ? -6.02871 -21.68774 33.97075 0.614 22.29325 C ? A ? 35 CD 1
   ATOM 582 CE B LYS A 34 ? -4.70764 -21.00296 34.28550 0.614 25.18946 C ? A ? 35 CE 1
   ATOM 583 NZ B LYS A 34 ? -4.76978 -19.56318 33.93794 0.614 26.73916 N ? A ? 35 NZ 1
   ATOM 584 N B LYS A 35 ? -7.19623 -20.25937 29.00690 0.433 11.04560 N ? A ? 36 N 1
   ATOM 585 CA B LYS A 35 ? -7.30730 -19.08881 28.16623 0.433 8.77965 C ? A ? 36 CA 1
   ATOM 586 C B LYS A 35 ? -7.02907 -17.82973 28.95289 0.433 6.51672 C ? A ? 36 C 1
   ATOM 587 O B LYS A 35 ? -7.43100 -17.70719 30.11794 0.433 7.33858 O ? A ? 36 O 1
   ATOM 588 CB B LYS A 35 ? -8.70786 -19.04206 27.56047 0.433 10.09222 C ? A ? 36 CB 1
   ATOM 589 CG B LYS A 35 ? -8.93568 -20.22319 26.56795 0.433 11.23926 C ? A ? 36 CG 1
   ATOM 590 CD B LYS A 35 ? -10.24603 -20.11167 25.80789 0.433 16.48710 C ? A ? 36 CD 1
   ATOM 591 CE B LYS A 35 ? -10.48420 -21.27531 24.84568 0.433 15.69768 C ? A ? 36 CE 1
   ATOM 592 NZ B LYS A 35 ? -10.45459 -22.65183 25.39648 0.433 21.69613 N ? A ? 36 NZ 1
   ATOM 593 N C LYS A 35 ? -7.20633 -20.27244 28.99376 0.567 11.15985 N ? A ? 36 N 1
   ATOM 594 CA C LYS A 35 ? -7.40008 -19.19090 28.04056 0.567 10.27053 C ? A ? 36 CA 1
   ATOM 595 C C LYS A 35 ? -7.38893 -17.84268 28.73541 0.567 9.03580 C ? A ? 36 C 1
   ATOM 596 O C LYS A 35 ? -8.07906 -17.63495 29.74949 0.567 10.02961 O ? A ? 36 O 1
   ATOM 597 CB C LYS A 35 ? -8.71948 -19.38011 27.28382 0.567 12.69739 C ? A ? 36 CB 1
   ATOM 598 CG C LYS A 35 ? -9.15649 -18.12331 26.54846 0.567 14.62535 C ? A ? 36 CG 1
   ATOM 599 CD C LYS A 35 ? -10.41834 -18.39151 25.74519 0.567 17.10864 C ? A ? 36 CD 1
   ATOM 600 CE C LYS A 35 ? -11.22359 -17.20058 25.41586 0.567 24.49411 C ? A ? 36 CE 1
   ATOM 601 NZ C LYS A 35 ? -12.13418 -16.84158 26.58509 0.567 29.16220 N ? A ? 36 NZ 1
   ATOM 602 N B PHE A 36 ? -6.44937 -16.84628 28.25649 0.433 8.68702 N ? A ? 37 N 1
   ATOM 603 CA B PHE A 36 ? -6.26850 -15.50451 28.78301 0.433 8.45739 C ? A ? 37 CA 1
   ATOM 604 C B PHE A 36 ? -6.76595 -14.38275 27.87177 0.433 8.78566 C ? A ? 37 C 1
   ATOM 605 O B PHE A 36 ? -6.85636 -13.24802 28.36592 0.433 9.94733 O ? A ? 37 O 1
   ATOM 606 CB B PHE A 36 ? -4.80917 -15.25271 29.21200 0.433 10.00594 C ? A ? 37 CB 1
   ATOM 607 CG B PHE A 36 ? -3.79496 -15.38967 28.08172 0.433 8.14310 C ? A ? 37 CG 1
   ATOM 608 CD1 B PHE A 36 ? -3.69440 -14.41889 27.04716 0.433 7.86026 C ? A ? 37 CD1 1
   ATOM 609 CD2 B PHE A 36 ? -2.97268 -16.51762 27.98941 0.433 8.95235 C ? A ? 37 CD2 1
   ATOM 610 CE1 B PHE A 36 ? -2.77316 -14.58585 26.04126 0.433 7.90372 C ? A ? 37 CE1 1
   ATOM 611 CE2 B PHE A 36 ? -2.05383 -16.66497 26.98627 0.433 8.80050 C ? A ? 37 CE2 1
   ATOM 612 CZ B PHE A 36 ? -1.95840 -15.69816 26.02306 0.433 8.60640 C ? A ? 37 CZ 1
   ATOM 613 N C PHE A 36 ? -6.57518 -16.93856 28.21843 0.567 8.71849 N ? A ? 37 N 1
   ATOM 614 CA C PHE A 36 ? -6.54755 -15.60935 28.77141 0.567 8.40142 C ? A ? 37 CA 1
   ATOM 615 C C PHE A 36 ? -7.13616 -14.55867 27.85605 0.567 8.81792 C ? A ? 37 C 1
   ATOM 616 O C PHE A 36 ? -7.45678 -13.46093 28.35859 0.567 9.48101 O ? A ? 37 O 1
   ATOM 617 CB C PHE A 36 ? -5.12982 -15.19826 29.20883 0.567 9.92760 C ? A ? 37 CB 1
   ATOM 618 CG C PHE A 36 ? -4.10173 -15.21798 28.09901 0.567 8.98889 C ? A ? 37 CG 1
   ATOM 619 CD1 C PHE A 36 ? -4.01759 -14.19279 27.14412 0.567 9.64239 C ? A ? 37 CD1 1
   ATOM 620 CD2 C PHE A 36 ? -3.23471 -16.29665 27.96619 0.567 8.75480 C ? A ? 37 CD2 1
   ATOM 621 CE1 C PHE A 36 ? -3.07442 -14.24506 26.15516 0.567 9.54031 C ? A ? 37 CE1 1
   ATOM 622 CE2 C PHE A 36 ? -2.28128 -16.36572 26.92828 0.567 11.12388 C ? A ? 37 CE2 1
   ATOM 623 CZ C PHE A 36 ? -2.20527 -15.34735 26.03107 0.567 9.04767 C ? A ? 37 CZ 1
   ATOM 624 N B ASP A 37 ? -7.16768 -14.66326 26.60617 0.433 9.38147 N ? A ? 38 N 1
   ATOM 625 CA B ASP A 37 ? -7.77039 -13.67861 25.69550 0.433 9.94540 C ? A ? 38 CA 1
   ATOM 626 C B ASP A 37 ? -8.29079 -14.41659 24.46409 0.433 8.59195 C ? A ? 38 C 1
   ATOM 627 O B ASP A 37 ? -7.81588 -15.51567 24.13617 0.433 10.49736 O ? A ? 38 O 1
   ATOM 628 CB B ASP A 37 ? -6.68965 -12.66323 25.30824 0.433 11.09890 C ? A ? 38 CB 1
   ATOM 629 CG B ASP A 37 ? -7.18970 -11.47780 24.47162 0.433 11.99433 C ? A ? 38 CG 1
   ATOM 630 OD1 B ASP A 37 ? -8.41310 -11.20201 24.40587 0.433 15.22381 O ? A ? 38 OD1 1
   ATOM 631 OD2 B ASP A 37 ? -6.27876 -10.80028 23.91279 0.433 11.03483 O ? A ? 38 OD2 1
   ATOM 632 N C ASP A 37 ? -7.26490 -14.82306 26.54996 0.567 8.14976 N ? A ? 38 N 1
   ATOM 633 CA C ASP A 37 ? -7.82806 -13.76426 25.72754 0.567 9.74707 C ? A ? 38 CA 1
   ATOM 634 C C ASP A 37 ? -8.25999 -14.36468 24.42543 0.567 8.66834 C ? A ? 38 C 1
   ATOM 635 O C ASP A 37 ? -7.71336 -15.36333 23.96771 0.567 10.29731 O ? A ? 38 O 1
   ATOM 636 CB C ASP A 37 ? -6.79212 -12.67756 25.42121 0.567 10.30924 C ? A ? 38 CB 1
   ATOM 637 CG C ASP A 37 ? -7.40233 -11.41930 24.81904 0.567 12.76262 C ? A ? 38 CG 1
   ATOM 638 OD1 C ASP A 37 ? -8.60943 -11.18569 25.02065 0.567 15.95895 O ? A ? 38 OD1 1
   ATOM 639 OD2 C ASP A 37 ? -6.68509 -10.68311 24.12129 0.567 12.85531 O ? A ? 38 OD2 1
   ATOM 640 N B SER A 38 ? -9.24191 -13.80347 23.76218 0.433 9.83935 N ? A ? 39 N 1
   ATOM 641 CA B SER A 38 ? -9.64245 -14.30880 22.45872 0.433 11.04355 C ? A ? 39 CA 1
   ATOM 642 C B SER A 38 ? -10.44808 -13.28260 21.67471 0.433 11.88131 C ? A ? 39 C 1
   ATOM 643 O B SER A 38 ? -11.45623 -12.74536 22.18049 0.433 13.36294 O ? A ? 39 O 1
   ATOM 644 CB B SER A 38 ? -10.41036 -15.59800 22.62858 0.433 13.31668 C ? A ? 39 CB 1
   ATOM 645 OG B SER A 38 ? -11.64941 -15.37756 23.22436 0.433 19.69954 O ? A ? 39 OG 1
   ATOM 646 N C SER A 38 ? -9.14765 -13.68355 23.75985 0.567 10.14662 N ? A ? 39 N 1
   ATOM 647 CA C SER A 38 ? -9.58193 -14.18136 22.48320 0.567 11.12633 C ? A ? 39 CA 1
   ATOM 648 C C SER A 38 ? -10.22248 -13.04071 21.73633 0.567 8.76528 C ? A ? 39 C 1
   ATOM 649 O C SER A 38 ? -10.94621 -12.22931 22.34701 0.567 10.47690 O ? A ? 39 O 1
   ATOM 650 CB C SER A 38 ? -10.61882 -15.24031 22.73058 0.567 9.19325 C ? A ? 39 CB 1
   ATOM 651 OG C SER A 38 ? -11.09412 -15.70288 21.49590 0.567 11.61653 O ? A ? 39 OG 1
   ATOM 652 N . SER A 39 ? -10.03805 -13.02108 20.42557 1.000 9.98531 N ? A ? 40 N 1
   ATOM 653 CA . SER A 39 ? -10.78170 -12.08814 19.60741 1.000 10.97090 C ? A ? 40 CA 1
   ATOM 654 C . SER A 39 ? -12.11564 -12.65101 19.21795 1.000 24.34661 C ? A ? 40 C 1
   ATOM 655 O . SER A 39 ? -13.07774 -11.88331 19.07789 1.000 33.89232 O ? A ? 40 O 1
   ATOM 656 CB . SER A 39 ? -10.07520 -11.81817 18.27664 1.000 12.47161 C ? A ? 40 CB 1
   ATOM 657 OG . SER A 39 ? -9.81715 -12.97643 17.50812 1.000 16.33155 O ? A ? 40 OG 1
   ATOM 658 N . ARG A 40 ? -12.19427 -13.98068 19.02476 1.000 31.62284 N ? A ? 41 N 1
   ATOM 659 CA . ARG A 40 ? -13.47233 -14.56908 18.63877 1.000 37.17503 C ? A ? 41 CA 1
   ATOM 660 C . ARG A 40 ? -14.52785 -14.28221 19.68276 1.000 26.51839 C ? A ? 41 C 1
   ATOM 661 O . ARG A 40 ? -15.72138 -14.31604 19.37043 1.000 41.32139 O ? A ? 41 O 1
   ATOM 662 CB . ARG A 40 ? -13.41574 -16.09358 18.34388 1.000 29.48078 C ? A ? 41 CB 1
   ATOM 663 CG . ARG A 40 ? -12.40169 -16.59958 17.23146 1.000 26.51730 C ? A ? 41 CG 1
   ATOM 664 CD . ARG A 40 ? -11.92299 -18.10916 17.42770 1.000 23.21495 C ? A ? 41 CD 1
   ATOM 665 NE . ARG A 40 ? -10.86109 -18.52214 16.48854 1.000 33.50851 N ? A ? 41 NE 1
   ATOM 666 CZ . ARG A 40 ? -9.61340 -18.89393 16.81046 1.000 33.17214 C ? A ? 41 CZ 1
   ATOM 667 NH1 . ARG A 40 ? -9.20339 -18.95922 18.05731 1.000 22.81882 N ? A ? 41 NH1 1
   ATOM 668 NH2 . ARG A 40 ? -8.74583 -19.21035 15.84802 1.000 25.48333 N ? A ? 41 NH2 1
   ATOM 669 N . ASP A 41 ? -14.12799 -13.99585 20.91496 1.000 26.05148 N ? A ? 42 N 1
   ATOM 670 CA . ASP A 41 ? -15.12574 -13.66942 21.92014 1.000 24.59404 C ? A ? 42 CA 1
   ATOM 671 C . ASP A 41 ? -15.62724 -12.24595 21.79965 1.000 36.94655 C ? A ? 42 C 1
   ATOM 672 O . ASP A 41 ? -16.74965 -11.95863 22.22943 1.000 45.34635 O ? A ? 42 O 1
   ATOM 673 CB . ASP A 41 ? -14.59662 -13.92010 23.32542 1.000 35.42656 C ? A ? 42 CB 1
   ATOM 674 CG . ASP A 41 ? -14.62127 -15.40824 23.71343 1.000 45.62659 C ? A ? 42 CG 1
   ATOM 675 OD1 . ASP A 41 ? -15.46529 -16.14595 23.17962 1.000 44.63985 O ? A ? 42 OD1 1
   ATOM 676 OD2 . ASP A 41 ? -13.82098 -15.88033 24.54808 1.000 45.95713 O ? A ? 42 OD2 1
   ATOM 677 N . ARG A 42 ? -14.81028 -11.33891 21.26722 1.000 43.40112 N ? A ? 43 N 1
   ATOM 678 CA . ARG A 42 ? -15.26755 -10.00331 20.94041 1.000 27.90489 C ? A ? 43 CA 1
   ATOM 679 C . ARG A 42 ? -15.88934 -9.95361 19.56505 1.000 23.01572 C ? A ? 43 C 1
   ATOM 680 O . ARG A 42 ? -16.21922 -8.83623 19.12200 1.000 40.37336 O ? A ? 43 O 1
   ATOM 681 CB . ARG A 42 ? -14.10456 -9.00262 20.95098 1.000 27.52264 C ? A ? 43 CB 1
   ATOM 682 CG . ARG A 42 ? -13.36566 -8.91958 22.27368 1.000 26.66806 C ? A ? 43 CG 1
   ATOM 683 CD . ARG A 42 ? -12.16324 -7.91534 22.29642 1.000 29.71151 C ? A ? 43 CD 1
   ATOM 684 NE . ARG A 42 ? -10.98888 -8.29080 21.48515 1.000 24.27568 N ? A ? 43 NE 1
   ATOM 685 CZ . ARG A 42 ? -9.85330 -8.83749 21.92502 1.000 13.38394 C ? A ? 43 CZ 1
   ATOM 686 NH1 . ARG A 42 ? -9.60335 -9.03513 23.21241 1.000 18.93280 N ? A ? 43 NH1 1
   ATOM 687 NH2 . ARG A 42 ? -8.96836 -9.24636 21.03517 1.000 14.64984 N ? A ? 43 NH2 1
   ATOM 688 N . ASN A 43 ? -16.09197 -11.11424 18.87042 1.000 24.78570 N ? A ? 44 N 1
   ATOM 689 CA . ASN A 43 ? -16.61779 -11.25080 17.48311 1.000 37.32705 C ? A ? 44 CA 1
   ATOM 690 C . ASN A 43 ? -16.06853 -10.14255 16.60150 1.000 39.41396 C ? A ? 44 C 1
   ATOM 691 O . ASN A 43 ? -16.74846 -9.65148 15.68691 1.000 34.17390 O ? A ? 44 O 1
   ATOM 692 CB . ASN A 43 ? -18.18280 -11.33956 17.32515 1.000 32.69490 C ? A ? 44 CB 1
   ATOM 693 CG . ASN A 43 ? -18.78387 -12.36053 18.22498 1.000 34.54138 C ? A ? 44 CG 1
   ATOM 694 OD1 . ASN A 43 ? -19.15228 -12.18024 19.40760 1.000 24.43371 O ? A ? 44 OD1 1
   ATOM 695 ND2 . ASN A 43 ? -18.84767 -13.51645 17.63265 1.000 37.22183 N ? A ? 44 ND2 1
   ATOM 696 N . LYS A 44 ? -14.81347 -9.81107 16.84125 1.000 32.18288 N ? A ? 45 N 1
   ATOM 697 CA . LYS A 44 ? -14.14163 -8.73528 16.15155 1.000 23.22284 C ? A ? 45 CA 1
   ATOM 698 C . LYS A 44 ? -12.72481 -9.19958 15.91874 1.000 14.82363 C ? A ? 45 C 1
   ATOM 699 O . LYS A 44 ? -12.02264 -9.61047 16.85925 1.000 15.30600 O ? A ? 45 O 1
   ATOM 700 CB A LYS A 44 ? -14.15392 -7.47720 17.01337 0.250 24.86858 C ? A ? 45 CB 1
   ATOM 701 CG A LYS A 44 ? -13.59294 -6.23506 16.36663 0.250 28.74999 C ? A ? 45 CG 1
   ATOM 702 CD A LYS A 44 ? -13.79122 -5.05818 17.31094 0.250 27.40247 C ? A ? 45 CD 1
   ATOM 703 CE A LYS A 44 ? -13.28964 -3.82387 16.67762 0.250 27.96019 C ? A ? 45 CE 1
   ATOM 704 NZ A LYS A 44 ? -11.86027 -4.13183 16.44920 0.250 27.13968 N ? A ? 45 NZ 1
   ATOM 705 CB B LYS A 44 ? -14.31079 -7.40063 16.86416 0.121 25.18030 C ? A ? 45 CB 1
   ATOM 706 CG B LYS A 44 ? -13.47770 -6.28081 16.30235 0.121 28.01014 C ? A ? 45 CG 1
   ATOM 707 CD B LYS A 44 ? -12.42145 -5.93457 17.29995 0.121 24.45798 C ? A ? 45 CD 1
   ATOM 708 CE B LYS A 44 ? -12.76163 -6.55620 18.64645 0.121 25.14098 C ? A ? 45 CE 1
   ATOM 709 NZ B LYS A 44 ? -11.54628 -6.83672 19.38967 0.121 23.43481 N ? A ? 45 NZ 1
   ATOM 710 CB C LYS A 44 ? -14.09935 -7.51326 17.06016 0.629 25.14661 C ? A ? 45 CB 1
   ATOM 711 CG C LYS A 44 ? -13.77551 -6.18200 16.41099 0.629 31.09347 C ? A ? 45 CG 1
   ATOM 712 CD C LYS A 44 ? -14.12651 -5.05006 17.40244 0.629 28.15407 C ? A ? 45 CD 1
   ATOM 713 CE C LYS A 44 ? -13.39683 -3.76090 17.07368 0.629 28.30670 C ? A ? 45 CE 1
   ATOM 714 NZ C LYS A 44 ? -13.83511 -3.14092 15.78724 0.629 34.97632 N ? A ? 45 NZ 1
   ATOM 715 N . PRO A 45 ? -12.36112 -9.28315 14.64481 1.000 14.08325 N ? A ? 46 N 1
   ATOM 716 CA . PRO A 45 ? -11.02845 -9.76545 14.27070 1.000 11.58972 C ? A ? 46 CA 1
   ATOM 717 C . PRO A 45 ? -9.99435 -8.76318 14.75263 1.000 11.28564 C ? A ? 46 C 1
   ATOM 718 O . PRO A 45 ? -10.28617 -7.59663 15.05251 1.000 16.01104 O ? A ? 46 O 1
   ATOM 719 CB A PRO A 45 ? -11.06655 -9.85359 12.73848 0.410 16.07276 C ? A ? 46 CB 1
   ATOM 720 CG A PRO A 45 ? -12.54386 -9.93183 12.39858 0.410 17.74786 C ? A ? 46 CG 1
   ATOM 721 CD A PRO A 45 ? -13.21129 -9.06972 13.45488 0.410 21.91845 C ? A ? 46 CD 1
   ATOM 722 CB B PRO A 45 ? -11.07562 -9.81170 12.74792 0.590 16.36714 C ? A ? 46 CB 1
   ATOM 723 CG B PRO A 45 ? -12.05603 -8.72458 12.42239 0.590 17.13792 C ? A ? 46 CG 1
   ATOM 724 CD B PRO A 45 ? -13.09155 -8.70523 13.50800 0.590 22.12964 C ? A ? 46 CD 1
   ATOM 725 N A PHE A 46 ? -8.75964 -9.23839 14.76916 0.564 8.77277 N ? A ? 47 N 1
   ATOM 726 CA A PHE A 46 ? -7.62037 -8.48561 15.22605 0.564 8.84408 C ? A ? 47 CA 1
   ATOM 727 C A PHE A 46 ? -6.70081 -8.20184 14.03125 0.564 8.64432 C ? A ? 47 C 1
   ATOM 728 O A PHE A 46 ? -6.40796 -9.09705 13.21427 0.564 7.79175 O ? A ? 47 O 1
   ATOM 729 CB A PHE A 46 ? -6.87336 -9.30709 16.28927 0.564 8.94148 C ? A ? 47 CB 1
   ATOM 730 CG A PHE A 46 ? -5.59807 -8.68590 16.72813 0.564 7.80787 C ? A ? 47 CG 1
   ATOM 731 CD1 A PHE A 46 ? -5.61180 -7.61441 17.59864 0.564 7.64430 C ? A ? 47 CD1 1
   ATOM 732 CD2 A PHE A 46 ? -4.39300 -9.08997 16.20445 0.564 8.24364 C ? A ? 47 CD2 1
   ATOM 733 CE1 A PHE A 46 ? -4.45045 -6.99386 17.91093 0.564 8.94037 C ? A ? 47 CE1 1
   ATOM 734 CE2 A PHE A 46 ? -3.23118 -8.46065 16.55415 0.564 8.34471 C ? A ? 47 CE2 1
   ATOM 735 CZ A PHE A 46 ? -3.25754 -7.42560 17.41859 0.564 9.40136 C ? A ? 47 CZ 1
   ATOM 736 N C PHE A 46 ? -8.77319 -9.24944 14.86660 0.436 8.63889 N ? A ? 47 N 1
   ATOM 737 CA C PHE A 46 ? -7.64400 -8.42330 15.23226 0.436 8.85032 C ? A ? 47 CA 1
   ATOM 738 C C PHE A 46 ? -6.77650 -8.16760 14.00852 0.436 8.51830 C ? A ? 47 C 1
   ATOM 739 O C PHE A 46 ? -6.63053 -9.03848 13.14453 0.436 8.67654 O ? A ? 47 O 1
   ATOM 740 CB C PHE A 46 ? -6.81648 -9.13280 16.29145 0.436 8.88641 C ? A ? 47 CB 1
   ATOM 741 CG C PHE A 46 ? -5.47836 -8.49071 16.57640 0.436 8.96134 C ? A ? 47 CG 1
   ATOM 742 CD1 C PHE A 46 ? -5.38764 -7.19939 17.12670 0.436 10.34884 C ? A ? 47 CD1 1
   ATOM 743 CD2 C PHE A 46 ? -4.32477 -9.21354 16.33591 0.436 7.47305 C ? A ? 47 CD2 1
   ATOM 744 CE1 C PHE A 46 ? -4.13636 -6.61108 17.38138 0.436 10.11173 C ? A ? 47 CE1 1
   ATOM 745 CE2 C PHE A 46 ? -3.08836 -8.64920 16.58444 0.436 9.38304 C ? A ? 47 CE2 1
   ATOM 746 CZ C PHE A 46 ? -2.97972 -7.34404 17.10797 0.436 9.77507 C ? A ? 47 CZ 1
   ATOM 747 N . LYS A 47 ? -6.20315 -6.97183 13.92752 1.000 9.30837 N ? A ? 48 N 1
   ATOM 748 CA . LYS A 47 ? -5.39713 -6.55728 12.77421 1.000 9.46436 C ? A ? 48 CA 1
   ATOM 749 C . LYS A 47 ? -4.02418 -6.10994 13.25326 1.000 8.49328 C ? A ? 48 C 1
   ATOM 750 O . LYS A 47 ? -3.90784 -5.39209 14.26220 1.000 9.57757 O ? A ? 48 O 1
   ATOM 751 CB A LYS A 47 ? -6.07987 -5.42228 11.97084 0.515 11.96802 C ? A ? 48 CB 1
   ATOM 752 CG A LYS A 47 ? -7.35124 -5.82306 11.21600 0.515 9.52518 C ? A ? 48 CG 1
   ATOM 753 CD A LYS A 47 ? -7.80581 -4.75587 10.22462 0.515 15.18963 C ? A ? 48 CD 1
   ATOM 754 CE A LYS A 47 ? -9.19312 -5.10634 9.70739 0.515 14.09308 C ? A ? 48 CE 1
   ATOM 755 NZ A LYS A 47 ? -9.67368 -4.13376 8.67507 0.515 17.39129 N ? A ? 48 NZ 1
   ATOM 756 CB B LYS A 47 ? -6.10496 -5.42036 12.05353 0.485 11.73117 C ? A ? 48 CB 1
   ATOM 757 CG B LYS A 47 ? -7.55470 -5.70997 11.76262 0.485 9.30419 C ? A ? 48 CG 1
   ATOM 758 CD B LYS A 47 ? -8.16517 -4.60982 10.89440 0.485 13.10426 C ? A ? 48 CD 1
   ATOM 759 CE B LYS A 47 ? -9.61989 -4.88945 10.56129 0.485 13.25930 C ? A ? 48 CE 1
   ATOM 760 NZ B LYS A 47 ? -10.13382 -3.85231 9.61031 0.485 16.29045 N ? A ? 48 NZ 1
   ATOM 761 N . PHE A 48 ? -2.99912 -6.45616 12.48502 1.000 8.65843 N ? A ? 49 N 1
   ATOM 762 CA . PHE A 48 ? -1.64663 -5.98718 12.77527 1.000 8.52016 C ? A ? 49 CA 1
   ATOM 763 C . PHE A 48 ? -0.81570 -6.05543 11.49568 1.000 8.07192 C ? A ? 49 C 1
   ATOM 764 O . PHE A 48 ? -1.21642 -6.65516 10.49192 1.000 8.68358 O ? A ? 49 O 1
   ATOM 765 CB . PHE A 48 ? -0.96315 -6.83272 13.88958 1.000 7.89907 C ? A ? 49 CB 1
   ATOM 766 CG . PHE A 48 ? -0.50751 -8.17717 13.41740 1.000 8.47953 C ? A ? 49 CG 1
   ATOM 767 CD1 . PHE A 48 ? -1.40827 -9.22930 13.26732 1.000 8.39100 C ? A ? 49 CD1 1
   ATOM 768 CD2 . PHE A 48 ? 0.82377 -8.40925 13.10582 1.000 8.61105 C ? A ? 49 CD2 1
   ATOM 769 CE1 . PHE A 48 ? -0.94560 -10.47885 12.80702 1.000 10.06802 C ? A ? 49 CE1 1
   ATOM 770 CE2 . PHE A 48 ? 1.27482 -9.64442 12.64251 1.000 10.42385 C ? A ? 49 CE2 1
   ATOM 771 CZ . PHE A 48 ? 0.36025 -10.64287 12.51139 1.000 9.97197 C ? A ? 49 CZ 1
   ATOM 772 N B MET A 49 ? 0.36047 -5.43147 11.55071 0.533 8.53396 N ? A ? 50 N 1
   ATOM 773 CA B MET A 49 ? 1.34396 -5.40308 10.46420 0.533 8.59626 C ? A ? 50 CA 1
   ATOM 774 C B MET A 49 ? 2.68374 -5.87462 10.99188 0.533 7.80216 C ? A ? 50 C 1
   ATOM 775 O B MET A 49 ? 2.99521 -5.74969 12.19779 0.533 7.76113 O ? A ? 50 O 1
   ATOM 776 CB B MET A 49 ? 1.51294 -3.97064 9.90775 0.533 9.59501 C ? A ? 50 CB 1
   ATOM 777 CG B MET A 49 ? 0.22544 -3.41119 9.27701 0.533 8.13936 C ? A ? 50 CG 1
   ATOM 778 SD B MET A 49 ? 0.42889 -1.76443 8.64220 0.533 12.29569 S ? A ? 50 SD 1
   ATOM 779 CE B MET A 49 ? 1.28393 -2.13055 7.13773 0.533 13.09729 C ? A ? 50 CE 1
   ATOM 780 N C MET A 49 ? 0.36129 -5.44893 11.54835 0.467 8.51267 N ? A ? 50 N 1
   ATOM 781 CA C MET A 49 ? 1.27323 -5.38567 10.41011 0.467 8.68110 C ? A ? 50 CA 1
   ATOM 782 C C MET A 49 ? 2.65226 -5.79941 10.85817 0.467 7.96610 C ? A ? 50 C 1
   ATOM 783 O C MET A 49 ? 3.11228 -5.41266 11.93475 0.467 9.03788 O ? A ? 50 O 1
   ATOM 784 CB C MET A 49 ? 1.34714 -3.95503 9.91455 0.467 10.07272 C ? A ? 50 CB 1
   ATOM 785 CG C MET A 49 ? -0.04568 -3.42028 9.53720 0.467 10.25451 C ? A ? 50 CG 1
   ATOM 786 SD C MET A 49 ? -0.02142 -1.76869 8.85451 0.467 8.96532 S ? A ? 50 SD 1
   ATOM 787 CE C MET A 49 ? 0.69456 -2.05475 7.19679 0.467 12.08403 C ? A ? 50 CE 1
   ATOM 788 N B LEU A 50 ? 3.49522 -6.36253 10.05067 0.533 9.70152 N ? A ? 51 N 1
   ATOM 789 CA B LEU A 50 ? 4.86537 -6.77206 10.29449 0.533 8.88626 C ? A ? 51 CA 1
   ATOM 790 C B LEU A 50 ? 5.79935 -5.57317 10.29235 0.533 9.75079 C ? A ? 51 C 1
   ATOM 791 O B LEU A 50 ? 5.52109 -4.52950 9.70482 0.533 9.98902 O ? A ? 51 O 1
   ATOM 792 CB B LEU A 50 ? 5.34797 -7.73526 9.21761 0.533 9.02961 C ? A ? 51 CB 1
   ATOM 793 CG B LEU A 50 ? 4.66512 -9.09557 9.16647 0.533 11.46257 C ? A ? 51 CG 1
   ATOM 794 CD1 B LEU A 50 ? 5.17220 -9.87856 7.97512 0.533 10.06188 C ? A ? 51 CD1 1
   ATOM 795 CD2 B LEU A 50 ? 4.87458 -9.89322 10.45180 0.533 14.57865 C ? A ? 51 CD2 1
   ATOM 796 N C LEU A 50 ? 3.32254 -6.60307 10.04581 0.467 7.92069 N ? A ? 51 N 1
   ATOM 797 CA C LEU A 50 ? 4.70658 -6.95750 10.36341 0.467 8.84193 C ? A ? 51 CA 1
   ATOM 798 C C LEU A 50 ? 5.66461 -5.75402 10.23148 0.467 9.98597 C ? A ? 51 C 1
   ATOM 799 O C LEU A 50 ? 5.41214 -4.81033 9.48853 0.467 14.35653 O ? A ? 51 O 1
   ATOM 800 CB C LEU A 50 ? 5.15593 -8.08260 9.44375 0.467 10.42073 C ? A ? 51 CB 1
   ATOM 801 CG C LEU A 50 ? 4.36001 -9.37893 9.58157 0.467 9.88197 C ? A ? 51 CG 1
   ATOM 802 CD1 C LEU A 50 ? 4.78040 -10.35594 8.47824 0.467 11.72368 C ? A ? 51 CD1 1
   ATOM 803 CD2 C LEU A 50 ? 4.56329 -9.98028 10.96839 0.467 11.45664 C ? A ? 51 CD2 1
   ATOM 804 N B GLY A 51 ? 6.92530 -5.74706 10.97016 0.533 10.75574 N ? A ? 52 N 1
   ATOM 805 CA B GLY A 51 ? 8.03903 -4.84435 10.89346 0.533 12.75098 C ? A ? 52 CA 1
   ATOM 806 C B GLY A 51 ? 7.93592 -3.62546 11.76850 0.533 12.22707 C ? A ? 52 C 1
   ATOM 807 O B GLY A 51 ? 8.81194 -2.75102 11.67737 0.533 16.01831 O ? A ? 52 O 1
   ATOM 808 N C GLY A 51 ? 6.77695 -5.78119 10.97030 0.467 11.29306 N ? A ? 52 N 1
   ATOM 809 CA C GLY A 51 ? 7.84564 -4.81520 10.77330 0.467 13.14703 C ? A ? 52 CA 1
   ATOM 810 C C GLY A 51 ? 7.73722 -3.54826 11.59035 0.467 13.17144 C ? A ? 52 C 1
   ATOM 811 O C GLY A 51 ? 8.38944 -2.54282 11.25397 0.467 12.94318 O ? A ? 52 O 1
   ATOM 812 N . LYS A 52 ? 6.93674 -3.55499 12.65814 1.000 10.51914 N ? A ? 53 N 1
   ATOM 813 CA . LYS A 52 ? 6.65472 -2.35232 13.44974 1.000 11.37927 C ? A ? 53 CA 1
   ATOM 814 C . LYS A 52 ? 6.75831 -2.60154 14.93545 1.000 10.65546 C ? A ? 53 C 1
   ATOM 815 O . LYS A 52 ? 6.36949 -1.73917 15.75162 1.000 11.52980 O ? A ? 53 O 1
   ATOM 816 CB . LYS A 52 ? 5.23492 -1.86156 13.08475 1.000 13.23427 C ? A ? 53 CB 1
   ATOM 817 CG . LYS A 52 ? 5.08544 -1.50646 11.63824 1.000 18.83448 C ? A ? 53 CG 1
   ATOM 818 CD . LYS A 52 ? 3.72672 -0.92927 11.34891 1.000 15.99887 C ? A ? 53 CD 1
   ATOM 819 CE . LYS A 52 ? 3.65647 -0.50583 9.96882 1.000 16.18631 C ? A ? 53 CE 1
   ATOM 820 NZ . LYS A 52 ? 2.50961 0.29089 9.79967 1.000 17.09216 N ? A ? 53 NZ 1
   ATOM 821 N A GLN A 53 ? 7.26151 -3.77619 15.31482 0.422 9.51701 N ? A ? 54 N 1
   ATOM 822 CA A GLN A 53 ? 7.38907 -4.16936 16.71512 0.422 10.01135 C ? A ? 54 CA 1
   ATOM 823 C A GLN A 53 ? 6.06856 -4.07771 17.44144 0.422 8.88087 C ? A ? 54 C 1
   ATOM 824 O A GLN A 53 ? 6.05016 -3.86143 18.66296 0.422 10.39402 O ? A ? 54 O 1
   ATOM 825 CB A GLN A 53 ? 8.44250 -3.35415 17.46000 0.422 10.49753 C ? A ? 54 CB 1
   ATOM 826 CG A GLN A 53 ? 9.75597 -3.40879 16.86158 0.422 10.05593 C ? A ? 54 CG 1
   ATOM 827 CD A GLN A 53 ? 10.68322 -2.59842 17.67396 0.422 8.94217 C ? A ? 54 CD 1
   ATOM 828 OE1 A GLN A 53 ? 10.68184 -1.39137 17.53300 0.422 10.58994 O ? A ? 54 OE1 1
   ATOM 829 NE2 A GLN A 53 ? 11.49727 -3.24073 18.56859 0.422 8.99357 N ? A ? 54 NE2 1
   ATOM 830 N B GLN A 53 ? 7.28268 -3.76673 15.31742 0.360 9.50788 N ? A ? 54 N 1
   ATOM 831 CA B GLN A 53 ? 7.39301 -4.18168 16.71103 0.360 10.00411 C ? A ? 54 CA 1
   ATOM 832 C B GLN A 53 ? 6.06606 -4.01225 17.42732 0.360 8.84085 C ? A ? 54 C 1
   ATOM 833 O B GLN A 53 ? 6.02439 -3.67800 18.61646 0.360 11.17742 O ? A ? 54 O 1
   ATOM 834 CB B GLN A 53 ? 8.53802 -3.46943 17.44356 0.360 10.42157 C ? A ? 54 CB 1
   ATOM 835 CG B GLN A 53 ? 9.89480 -3.71124 16.85112 0.360 9.89692 C ? A ? 54 CG 1
   ATOM 836 CD B GLN A 53 ? 10.90905 -2.83545 17.53618 0.360 7.91846 C ? A ? 54 CD 1
   ATOM 837 OE1 B GLN A 53 ? 11.14938 -1.67054 17.10134 0.360 8.94474 O ? A ? 54 OE1 1
   ATOM 838 NE2 B GLN A 53 ? 11.47970 -3.34748 18.65558 0.360 7.93425 N ? A ? 54 NE2 1
   ATOM 839 N C GLN A 53 ? 7.27724 -3.77129 15.31414 0.218 9.50090 N ? A ? 54 N 1
   ATOM 840 CA C GLN A 53 ? 7.38986 -4.18454 16.70663 0.218 9.97706 C ? A ? 54 CA 1
   ATOM 841 C C GLN A 53 ? 6.06151 -4.00952 17.42760 0.218 8.86284 C ? A ? 54 C 1
   ATOM 842 O C GLN A 53 ? 6.01716 -3.65235 18.60665 0.218 11.36323 O ? A ? 54 O 1
   ATOM 843 CB C GLN A 53 ? 8.55205 -3.47662 17.42407 0.218 10.49003 C ? A ? 54 CB 1
   ATOM 844 CG C GLN A 53 ? 9.92025 -3.72415 16.78420 0.218 10.00332 C ? A ? 54 CG 1
   ATOM 845 CD C GLN A 53 ? 11.02624 -2.95135 17.48724 0.218 8.04250 C ? A ? 54 CD 1
   ATOM 846 OE1 C GLN A 53 ? 11.70553 -2.12569 16.87995 0.218 9.97597 O ? A ? 54 OE1 1
   ATOM 847 NE2 C GLN A 53 ? 11.16503 -3.16616 18.78358 0.218 7.97264 N ? A ? 54 NE2 1
   ATOM 848 N . GLU A 54 ? 4.95746 -4.25888 16.72141 1.000 8.87696 N ? A ? 55 N 1
   ATOM 849 CA . GLU A 54 ? 3.69108 -4.00711 17.34167 1.000 8.54119 C ? A ? 55 CA 1
   ATOM 850 C . GLU A 54 ? 3.01177 -5.25714 17.86389 1.000 8.92840 C ? A ? 55 C 1
   ATOM 851 O . GLU A 54 ? 1.94215 -5.17654 18.47030 1.000 11.06972 O ? A ? 55 O 1
   ATOM 852 CB A GLU A 54 ? 2.75680 -3.25652 16.39848 0.089 9.28126 C ? A ? 55 CB 1
   ATOM 853 CG A GLU A 54 ? 2.48149 -3.96413 15.09026 0.089 7.84523 C ? A ? 55 CG 1
   ATOM 854 CD A GLU A 54 ? 1.52849 -3.17114 14.24753 0.089 9.28365 C ? A ? 55 CD 1
   ATOM 855 OE1 A GLU A 54 ? 1.12417 -2.09300 14.70995 0.089 9.38017 O ? A ? 55 OE1 1
   ATOM 856 OE2 A GLU A 54 ? 1.18392 -3.61092 13.13560 0.089 10.65705 O ? A ? 55 OE2 1
   ATOM 857 CB B GLU A 54 ? 2.74612 -3.13069 16.50807 0.911 8.63177 C ? A ? 55 CB 1
   ATOM 858 CG B GLU A 54 ? 2.11090 -3.85259 15.33119 0.911 8.63182 C ? A ? 55 CG 1
   ATOM 859 CD B GLU A 54 ? 1.02225 -3.09646 14.69403 0.911 7.42857 C ? A ? 55 CD 1
   ATOM 860 OE1 B GLU A 54 ? 0.63485 -1.98587 15.20325 0.911 8.31362 O ? A ? 55 OE1 1
   ATOM 861 OE2 B GLU A 54 ? 0.47303 -3.52262 13.64632 0.911 8.44319 O ? A ? 55 OE2 1
   ATOM 862 N A VAL A 55 ? 3.59021 -6.42390 17.61031 0.142 7.88817 N ? A ? 56 N 1
   ATOM 863 CA A VAL A 55 ? 3.14797 -7.67086 18.20465 0.142 8.06383 C ? A ? 56 CA 1
   ATOM 864 C A VAL A 55 ? 4.37070 -8.34241 18.80572 0.142 7.82022 C ? A ? 56 C 1
   ATOM 865 O A VAL A 55 ? 5.50515 -8.07466 18.41307 0.142 7.80523 O ? A ? 56 O 1
   ATOM 866 CB A VAL A 55 ? 2.44928 -8.60147 17.19124 0.142 7.70884 C ? A ? 56 CB 1
   ATOM 867 CG1 A VAL A 55 ? 1.04657 -8.10339 16.89614 0.142 8.47671 C ? A ? 56 CG1 1
   ATOM 868 CG2 A VAL A 55 ? 3.25815 -8.69618 15.91681 0.142 8.53444 C ? A ? 56 CG2 1
   ATOM 869 N B VAL A 55 ? 3.57898 -6.42116 17.61405 0.529 7.81968 N ? A ? 56 N 1
   ATOM 870 CA B VAL A 55 ? 3.13837 -7.64833 18.24088 0.529 8.25489 C ? A ? 56 CA 1
   ATOM 871 C B VAL A 55 ? 4.36171 -8.36020 18.79487 0.529 7.87546 C ? A ? 56 C 1
   ATOM 872 O B VAL A 55 ? 5.48251 -8.16496 18.33619 0.529 7.49040 O ? A ? 56 O 1
   ATOM 873 CB B VAL A 55 ? 2.32951 -8.56063 17.29217 0.529 7.85935 C ? A ? 56 CB 1
   ATOM 874 CG1 B VAL A 55 ? 1.00962 -7.94487 16.91479 0.529 8.93131 C ? A ? 56 CG1 1
   ATOM 875 CG2 B VAL A 55 ? 3.14519 -8.91010 16.04659 0.529 8.85076 C ? A ? 56 CG2 1
   ATOM 876 N D VAL A 55 ? 3.62150 -6.40949 17.59974 0.329 7.89646 N ? A ? 56 N 1
   ATOM 877 CA D VAL A 55 ? 3.19337 -7.68518 18.14987 0.329 7.93623 C ? A ? 56 CA 1
   ATOM 878 C D VAL A 55 ? 4.39065 -8.32448 18.82405 0.329 7.79846 C ? A ? 56 C 1
   ATOM 879 O D VAL A 55 ? 5.53007 -8.04034 18.47467 0.329 8.01194 O ? A ? 56 O 1
   ATOM 880 CB D VAL A 55 ? 2.59105 -8.63891 17.09690 0.329 7.04235 C ? A ? 56 CB 1
   ATOM 881 CG1 D VAL A 55 ? 1.25478 -8.07649 16.62751 0.329 8.02049 C ? A ? 56 CG1 1
   ATOM 882 CG2 D VAL A 55 ? 3.56211 -8.91850 15.97648 0.329 7.67089 C ? A ? 56 CG2 1
   ATOM 883 N . ILE A 56 ? 4.12622 -9.21601 19.77685 1.000 7.16715 N ? A ? 57 N 1
   ATOM 884 CA . ILE A 56 ? 5.20391 -10.01217 20.34309 1.000 6.51293 C ? A ? 57 CA 1
   ATOM 885 C . ILE A 56 ? 5.91072 -10.74781 19.21751 1.000 6.37164 C ? A ? 57 C 1
   ATOM 886 O . ILE A 56 ? 5.31132 -11.15555 18.19151 1.000 6.76666 O ? A ? 57 O 1
   ATOM 887 CB . ILE A 56 ? 4.69825 -10.97812 21.42222 1.000 7.01606 C ? A ? 57 CB 1
   ATOM 888 CG1 . ILE A 56 ? 3.55519 -11.88699 20.94217 1.000 7.55531 C ? A ? 57 CG1 1
   ATOM 889 CG2 . ILE A 56 ? 4.35428 -10.19163 22.67376 1.000 7.63909 C ? A ? 57 CG2 1
   ATOM 890 CD1 . ILE A 56 ? 3.15254 -12.95912 21.94880 1.000 8.99347 C ? A ? 57 CD1 1
   ATOM 891 N A ARG A 57 ? 7.20998 -11.01377 19.43823 0.246 6.48123 N ? A ? 58 N 1
   ATOM 892 CA A ARG A 57 ? 8.03667 -11.61139 18.38667 0.246 6.80784 C ? A ? 58 CA 1
   ATOM 893 C A ARG A 57 ? 7.55478 -13.01010 17.99107 0.246 6.44817 C ? A ? 58 C 1
   ATOM 894 O A ARG A 57 ? 7.75130 -13.42392 16.83146 0.246 6.00604 O ? A ? 58 O 1
   ATOM 895 CB A ARG A 57 ? 9.51505 -11.61689 18.79428 0.246 7.73944 C ? A ? 58 CB 1
   ATOM 896 CG A ARG A 57 ? 10.49761 -11.87889 17.66707 0.246 8.46669 C ? A ? 58 CG 1
   ATOM 897 CD A ARG A 57 ? 10.71037 -10.65704 16.83621 0.246 9.88635 C ? A ? 58 CD 1
   ATOM 898 NE A ARG A 57 ? 11.51051 -10.99158 15.67427 0.246 10.88621 N ? A ? 58 NE 1
   ATOM 899 CZ A ARG A 57 ? 12.26809 -10.11654 15.03196 0.246 15.14009 C ? A ? 58 CZ 1
   ATOM 900 NH1 A ARG A 57 ? 12.37072 -8.86209 15.43836 0.246 15.35945 N ? A ? 58 NH1 1
   ATOM 901 NH2 A ARG A 57 ? 12.96158 -10.51376 13.97391 0.246 16.64784 N ? A ? 58 NH2 1
   ATOM 902 N B ARG A 57 ? 7.22841 -10.87256 19.35925 0.322 6.59933 N ? A ? 58 N 1
   ATOM 903 CA B ARG A 57 ? 8.04479 -11.42313 18.27850 0.322 7.28161 C ? A ? 58 CA 1
   ATOM 904 C B ARG A 57 ? 7.63684 -12.84760 17.88136 0.322 6.58491 C ? A ? 58 C 1
   ATOM 905 O B ARG A 57 ? 7.87981 -13.26767 16.73661 0.322 6.73562 O ? A ? 58 O 1
   ATOM 906 CB B ARG A 57 ? 9.51240 -11.34586 18.67015 0.322 6.47181 C ? A ? 58 CB 1
   ATOM 907 CG B ARG A 57 ? 10.45691 -11.54065 17.55640 0.322 7.23314 C ? A ? 58 CG 1
   ATOM 908 CD B ARG A 57 ? 10.47423 -10.32771 16.71696 0.322 9.32588 C ? A ? 58 CD 1
   ATOM 909 NE B ARG A 57 ? 11.27970 -10.57036 15.53995 0.322 11.38244 N ? A ? 58 NE 1
   ATOM 910 CZ B ARG A 57 ? 11.44312 -9.66588 14.59379 0.322 16.00592 C ? A ? 58 CZ 1
   ATOM 911 NH1 B ARG A 57 ? 10.81888 -8.51147 14.64987 0.322 14.37221 N ? A ? 58 NH1 1
   ATOM 912 NH2 B ARG A 57 ? 12.23634 -9.93057 13.55842 0.322 13.09273 N ? A ? 58 NH2 1
   ATOM 913 N C ARG A 57 ? 7.22748 -10.92599 19.42035 0.432 6.52430 N ? A ? 58 N 1
   ATOM 914 CA C ARG A 57 ? 8.08449 -11.46928 18.36192 0.432 7.03059 C ? A ? 58 CA 1
   ATOM 915 C C ARG A 57 ? 7.56322 -12.79835 17.85088 0.432 6.48405 C ? A ? 58 C 1
   ATOM 916 O C ARG A 57 ? 7.62567 -13.07522 16.64384 0.432 6.86634 O ? A ? 58 O 1
   ATOM 917 CB C ARG A 57 ? 9.52813 -11.64953 18.84546 0.432 7.75623 C ? A ? 58 CB 1
   ATOM 918 CG C ARG A 57 ? 10.53678 -11.86836 17.72637 0.432 8.42156 C ? A ? 58 CG 1
   ATOM 919 CD C ARG A 57 ? 10.71228 -10.62122 16.91189 0.432 9.97880 C ? A ? 58 CD 1
   ATOM 920 NE C ARG A 57 ? 11.39562 -10.94266 15.68194 0.432 10.33445 N ? A ? 58 NE 1
   ATOM 921 CZ C ARG A 57 ? 11.76278 -10.02959 14.80076 0.432 16.57428 C ? A ? 58 CZ 1
   ATOM 922 NH1 C ARG A 57 ? 11.51345 -8.73854 14.99751 0.432 14.12232 N ? A ? 58 NH1 1
   ATOM 923 NH2 C ARG A 57 ? 12.42082 -10.41249 13.70831 0.432 21.14825 N ? A ? 58 NH2 1
   ATOM 924 N A GLY A 58 ? 6.91541 -13.74823 18.91010 0.246 5.83609 N ? A ? 59 N 1
   ATOM 925 CA A GLY A 58 ? 6.39549 -15.04231 18.51920 0.246 7.88760 C ? A ? 59 CA 1
   ATOM 926 C A GLY A 58 ? 5.33590 -14.95662 17.43450 0.246 7.01203 C ? A ? 59 C 1
   ATOM 927 O A GLY A 58 ? 5.18074 -15.88985 16.63910 0.246 6.08593 O ? A ? 59 O 1
   ATOM 928 N B GLY A 58 ? 7.03234 -13.61970 18.78800 0.322 6.94122 N ? A ? 59 N 1
   ATOM 929 CA B GLY A 58 ? 6.53878 -14.92371 18.36886 0.322 7.63996 C ? A ? 59 CA 1
   ATOM 930 C B GLY A 58 ? 5.47669 -14.82559 17.28173 0.322 6.91287 C ? A ? 59 C 1
   ATOM 931 O B GLY A 58 ? 5.45649 -15.62950 16.34090 0.322 7.04018 O ? A ? 59 O 1
   ATOM 932 N C GLY A 58 ? 7.06973 -13.65760 18.75436 0.432 7.15533 N ? A ? 59 N 1
   ATOM 933 CA C GLY A 58 ? 6.58123 -14.95212 18.30001 0.432 7.48840 C ? A ? 59 CA 1
   ATOM 934 C C GLY A 58 ? 5.42925 -14.87538 17.30248 0.432 6.98641 C ? A ? 59 C 1
   ATOM 935 O C GLY A 58 ? 5.28898 -15.75159 16.43882 0.432 7.15941 O ? A ? 59 O 1
   ATOM 936 N . TRP A 59 ? 4.56999 -13.84337 17.39987 1.000 7.66141 N ? A ? 60 N 1
   ATOM 937 CA . TRP A 59 ? 3.62207 -13.56623 16.27792 1.000 7.76785 C ? A ? 60 CA 1
   ATOM 938 C . TRP A 59 ? 4.34265 -13.05030 15.04824 1.000 8.48741 C ? A ? 60 C 1
   ATOM 939 O . TRP A 59 ? 4.01381 -13.44855 13.90782 1.000 9.51172 O ? A ? 60 O 1
   ATOM 940 CB B TRP A 59 ? 2.56269 -12.52471 16.65520 0.818 8.70279 C ? A ? 60 CB 1
   ATOM 941 CG B TRP A 59 ? 1.38660 -13.04993 17.39968 0.818 8.61805 C ? A ? 60 CG 1
   ATOM 942 CD1 B TRP A 59 ? 1.36331 -13.85199 18.52273 0.818 8.41111 C ? A ? 60 CD1 1
   ATOM 943 CD2 B TRP A 59 ? 0.02330 -12.85392 17.01649 0.818 6.19999 C ? A ? 60 CD2 1
   ATOM 944 NE1 B TRP A 59 ? 0.07418 -14.15353 18.85327 0.818 7.89646 N ? A ? 60 NE1 1
   ATOM 945 CE2 B TRP A 59 ? -0.77788 -13.53494 17.97386 0.818 7.17169 C ? A ? 60 CE2 1
   ATOM 946 CE3 B TRP A 59 ? -0.59928 -12.12875 16.00782 0.818 6.29223 C ? A ? 60 CE3 1
   ATOM 947 CZ2 B TRP A 59 ? -2.16893 -13.53553 17.90530 0.818 7.07883 C ? A ? 60 CZ2 1
   ATOM 948 CZ3 B TRP A 59 ? -1.92269 -12.12519 15.93569 0.818 6.56465 C ? A ? 60 CZ3 1
   ATOM 949 CH2 B TRP A 59 ? -2.73830 -12.82153 16.87962 0.818 7.38388 C ? A ? 60 CH2 1
   ATOM 950 CB C TRP A 59 ? 2.53548 -12.58598 16.74130 0.182 8.59201 C ? A ? 60 CB 1
   ATOM 951 CG C TRP A 59 ? 1.36726 -13.21705 17.48169 0.182 7.49207 C ? A ? 60 CG 1
   ATOM 952 CD1 C TRP A 59 ? 1.40416 -13.95203 18.61697 0.182 8.04786 C ? A ? 60 CD1 1
   ATOM 953 CD2 C TRP A 59 ? -0.01213 -13.14227 17.09236 0.182 6.47196 C ? A ? 60 CD2 1
   ATOM 954 NE1 C TRP A 59 ? 0.13451 -14.35116 18.95487 0.182 8.25976 N ? A ? 60 NE1 1
   ATOM 955 CE2 C TRP A 59 ? -0.74712 -13.87473 18.02202 0.182 6.37270 C ? A ? 60 CE2 1
   ATOM 956 CE3 C TRP A 59 ? -0.68905 -12.54033 16.02510 0.182 5.30689 C ? A ? 60 CE3 1
   ATOM 957 CZ2 C TRP A 59 ? -2.12962 -13.99999 17.94294 0.182 6.38301 C ? A ? 60 CZ2 1
   ATOM 958 CZ3 C TRP A 59 ? -2.06864 -12.66475 15.95086 0.182 6.11657 C ? A ? 60 CZ3 1
   ATOM 959 CH2 C TRP A 59 ? -2.77217 -13.38217 16.90445 0.182 6.23546 C ? A ? 60 CH2 1
   ATOM 960 N . GLU A 60 ? 5.27149 -12.12864 15.22007 1.000 9.45870 N ? A ? 61 N 1
   ATOM 961 CA . GLU A 60 ? 6.01996 -11.56672 14.10907 1.000 11.15958 C ? A ? 61 CA 1
   ATOM 962 C . GLU A 60 ? 6.62415 -12.67625 13.25088 1.000 9.07036 C ? A ? 61 C 1
   ATOM 963 O . GLU A 60 ? 6.57715 -12.61930 12.00842 1.000 11.45344 O ? A ? 61 O 1
   ATOM 964 CB . GLU A 60 ? 7.11990 -10.65357 14.66247 1.000 10.16320 C ? A ? 61 CB 1
   ATOM 965 CG . GLU A 60 ? 7.88350 -9.88102 13.60949 1.000 14.90725 C ? A ? 61 CG 1
   ATOM 966 CD . GLU A 60 ? 7.20675 -8.56584 13.25178 1.000 10.10546 C ? A ? 61 CD 1
   ATOM 967 OE1 . GLU A 60 ? 6.40046 -7.98748 14.02752 1.000 11.54985 O ? A ? 61 OE1 1
   ATOM 968 OE2 . GLU A 60 ? 7.53046 -8.05873 12.16411 1.000 15.73329 O ? A ? 61 OE2 1
   ATOM 969 N . GLU A 61 ? 7.19980 -13.68482 13.88568 1.000 8.63341 N ? A ? 62 N 1
   ATOM 970 CA . GLU A 61 ? 7.88307 -14.77504 13.20945 1.000 9.37950 C ? A ? 62 CA 1
   ATOM 971 C . GLU A 61 ? 6.95395 -15.94659 12.88935 1.000 8.13934 C ? A ? 62 C 1
   ATOM 972 O . GLU A 61 ? 7.17743 -16.64101 11.88523 1.000 10.60600 O ? A ? 62 O 1
   ATOM 973 CB B GLU A 61 ? 8.99512 -15.30699 14.12495 0.385 10.58863 C ? A ? 62 CB 1
   ATOM 974 CG B GLU A 61 ? 10.00142 -14.24724 14.48802 0.385 10.62689 C ? A ? 62 CG 1
   ATOM 975 CD B GLU A 61 ? 10.72132 -13.70221 13.28542 0.385 13.53309 C ? A ? 62 CD 1
   ATOM 976 OE1 B GLU A 61 ? 11.08435 -14.50669 12.39357 0.385 15.87401 O ? A ? 62 OE1 1
   ATOM 977 OE2 B GLU A 61 ? 10.95263 -12.46803 13.24957 0.385 20.33588 O ? A ? 62 OE2 1
   ATOM 978 CB C GLU A 61 ? 9.17007 -15.17619 13.94344 0.615 10.74426 C ? A ? 62 CB 1
   ATOM 979 CG C GLU A 61 ? 10.14095 -14.03858 13.99567 0.615 11.22269 C ? A ? 62 CG 1
   ATOM 980 CD C GLU A 61 ? 11.44466 -14.42291 14.67571 0.615 13.72270 C ? A ? 62 CD 1
   ATOM 981 OE1 C GLU A 61 ? 11.62209 -15.63167 14.90563 0.615 18.69487 O ? A ? 62 OE1 1
   ATOM 982 OE2 C GLU A 61 ? 12.26951 -13.53618 14.99264 0.615 17.07489 O ? A ? 62 OE2 1
   ATOM 983 N B GLY A 62 ? 5.90862 -16.17444 13.67037 0.332 8.07940 N ? A ? 63 N 1
   ATOM 984 CA B GLY A 62 ? 5.03010 -17.30572 13.47443 0.332 8.18275 C ? A ? 63 CA 1
   ATOM 985 C B GLY A 62 ? 3.96451 -17.08723 12.42587 0.332 6.86014 C ? A ? 63 C 1
   ATOM 986 O B GLY A 62 ? 3.82710 -17.90605 11.51183 0.332 7.73720 O ? A ? 63 O 1
   ATOM 987 N D GLY A 62 ? 5.91792 -16.15774 13.66432 0.668 8.12861 N ? A ? 63 N 1
   ATOM 988 CA D GLY A 62 ? 4.99611 -17.23953 13.47868 0.668 8.06520 C ? A ? 63 CA 1
   ATOM 989 C D GLY A 62 ? 3.99068 -16.97075 12.39888 0.668 6.61739 C ? A ? 63 C 1
   ATOM 990 O D GLY A 62 ? 3.78349 -17.81370 11.51781 0.668 7.79046 O ? A ? 63 O 1
   ATOM 991 N B VAL A 63 ? 3.20153 -15.99019 12.55335 0.332 6.97153 N ? A ? 64 N 1
   ATOM 992 CA B VAL A 63 ? 2.16598 -15.66121 11.55880 0.332 5.96537 C ? A ? 64 CA 1
   ATOM 993 C B VAL A 63 ? 2.77543 -15.40627 10.18478 0.332 7.19774 C ? A ? 64 C 1
   ATOM 994 O B VAL A 63 ? 2.11636 -15.64972 9.16211 0.332 6.99924 O ? A ? 64 O 1
   ATOM 995 CB B VAL A 63 ? 1.25744 -14.49149 12.01594 0.332 8.46512 C ? A ? 64 CB 1
   ATOM 996 CG1 B VAL A 63 ? 0.14036 -14.21992 11.00439 0.332 5.08247 C ? A ? 64 CG1 1
   ATOM 997 CG2 B VAL A 63 ? 0.71700 -14.73697 13.44818 0.332 7.86788 C ? A ? 64 CG2 1
   ATOM 998 N D VAL A 63 ? 3.36409 -15.80132 12.42883 0.668 7.03460 N ? A ? 64 N 1
   ATOM 999 CA D VAL A 63 ? 2.36626 -15.53136 11.39682 0.668 7.49020 C ? A ? 64 CA 1
   ATOM 1000 C D VAL A 63 ? 3.03523 -15.36450 10.04485 0.668 7.84499 C ? A ? 64 C 1
   ATOM 1001 O D VAL A 63 ? 2.43603 -15.65491 8.99902 0.668 8.06213 O ? A ? 64 O 1
   ATOM 1002 CB D VAL A 63 ? 1.45957 -14.35176 11.76597 0.668 7.61486 C ? A ? 64 CB 1
   ATOM 1003 CG1 D VAL A 63 ? 0.50468 -14.01934 10.67042 0.668 10.63932 C ? A ? 64 CG1 1
   ATOM 1004 CG2 D VAL A 63 ? 0.70493 -14.66851 13.06651 0.668 9.01438 C ? A ? 64 CG2 1
   ATOM 1005 N B ALA A 64 ? 4.03015 -14.91707 10.11502 0.332 7.81399 N ? A ? 65 N 1
   ATOM 1006 CA B ALA A 64 ? 4.71069 -14.76745 8.82170 0.332 8.77481 C ? A ? 65 CA 1
   ATOM 1007 C B ALA A 64 ? 4.94131 -16.09066 8.09551 0.332 9.28363 C ? A ? 65 C 1
   ATOM 1008 O B ALA A 64 ? 5.06727 -16.05386 6.87114 0.332 8.98202 O ? A ? 65 O 1
   ATOM 1009 CB B ALA A 64 ? 6.04369 -14.00539 8.92192 0.332 10.83544 C ? A ? 65 CB 1
   ATOM 1010 N D ALA A 64 ? 4.29205 -14.93631 10.01829 0.668 8.75415 N ? A ? 65 N 1
   ATOM 1011 CA D ALA A 64 ? 5.02478 -14.84568 8.74997 0.668 9.41055 C ? A ? 65 CA 1
   ATOM 1012 C D ALA A 64 ? 5.16689 -16.18967 8.06609 0.668 8.60424 C ? A ? 65 C 1
   ATOM 1013 O D ALA A 64 ? 5.40611 -16.25927 6.84376 0.668 9.88000 O ? A ? 65 O 1
   ATOM 1014 CB D ALA A 64 ? 6.41365 -14.25880 9.03341 0.668 11.40730 C ? A ? 65 CB 1
   ATOM 1015 N . GLN A 65 ? 5.00216 -17.24376 8.81726 1.000 8.51185 N ? A ? 66 N 1
   ATOM 1016 CA . GLN A 65 ? 5.09099 -18.60179 8.28616 1.000 9.96962 C ? A ? 66 CA 1
   ATOM 1017 C . GLN A 65 ? 3.76047 -19.19973 7.90226 1.000 9.47253 C ? A ? 66 C 1
   ATOM 1018 O . GLN A 65 ? 3.72602 -20.34179 7.43542 1.000 12.58612 O ? A ? 66 O 1
   ATOM 1019 CB A GLN A 65 ? 5.74232 -19.54580 9.30614 0.350 10.20744 C ? A ? 66 CB 1
   ATOM 1020 CG A GLN A 65 ? 7.13490 -19.12229 9.67795 0.350 10.85213 C ? A ? 66 CG 1
   ATOM 1021 CD A GLN A 65 ? 7.66497 -19.94125 10.79945 0.350 12.75485 C ? A ? 66 CD 1
   ATOM 1022 OE1 A GLN A 65 ? 7.49313 -21.16613 10.85419 0.350 16.03355 O ? A ? 66 OE1 1
   ATOM 1023 NE2 A GLN A 65 ? 8.27913 -19.25950 11.75376 0.350 9.53309 N ? A ? 66 NE2 1
   ATOM 1024 CB B GLN A 65 ? 5.78689 -19.53578 9.28854 0.462 10.31255 C ? A ? 66 CB 1
   ATOM 1025 CG B GLN A 65 ? 7.24723 -19.11642 9.56151 0.462 10.17183 C ? A ? 66 CG 1
   ATOM 1026 CD B GLN A 65 ? 7.88297 -20.05011 10.54635 0.462 9.39172 C ? A ? 66 CD 1
   ATOM 1027 OE1 B GLN A 65 ? 8.21822 -21.17805 10.19578 0.462 12.20434 O ? A ? 66 OE1 1
   ATOM 1028 NE2 B GLN A 65 ? 7.97572 -19.64298 11.81396 0.462 7.70008 N ? A ? 66 NE2 1
   ATOM 1029 CB C GLN A 65 ? 5.80866 -19.52080 9.27614 0.188 10.32698 C ? A ? 66 CB 1
   ATOM 1030 CG C GLN A 65 ? 7.23589 -19.07180 9.56323 0.188 10.34673 C ? A ? 66 CG 1
   ATOM 1031 CD C GLN A 65 ? 7.92902 -20.00968 10.51275 0.188 10.24367 C ? A ? 66 CD 1
   ATOM 1032 OE1 C GLN A 65 ? 8.27363 -21.12680 10.14026 0.188 12.54882 O ? A ? 66 OE1 1
   ATOM 1033 NE2 C GLN A 65 ? 8.11389 -19.58161 11.75944 0.188 8.75799 N ? A ? 66 NE2 1
   ATOM 1034 N . MET A 66 ? 2.68659 -18.45570 8.04949 1.000 7.77872 N ? A ? 67 N 1
   ATOM 1035 CA . MET A 66 ? 1.34821 -18.93728 7.71309 1.000 7.43546 C ? A ? 67 CA 1
   ATOM 1036 C . MET A 66 ? 0.93223 -18.36774 6.37602 1.000 6.78579 C ? A ? 67 C 1
   ATOM 1037 O . MET A 66 ? 1.27207 -17.23070 6.04405 1.000 8.28324 O ? A ? 67 O 1
   ATOM 1038 CB B MET A 66 ? 0.34269 -18.66798 8.82157 0.386 6.48628 C ? A ? 67 CB 1
   ATOM 1039 CG B MET A 66 ? 0.69619 -19.40973 10.13011 0.386 5.83738 C ? A ? 67 CG 1
   ATOM 1040 SD B MET A 66 ? -0.27315 -18.75354 11.45429 0.386 5.90389 S ? A ? 67 SD 1
   ATOM 1041 CE B MET A 66 ? -1.89054 -19.28526 10.85321 0.386 6.74118 C ? A ? 67 CE 1
   ATOM 1042 CB C MET A 66 ? 0.35034 -18.39647 8.77121 0.614 7.11447 C ? A ? 67 CB 1
   ATOM 1043 CG C MET A 66 ? 0.53159 -18.99771 10.11980 0.614 7.18067 C ? A ? 67 CG 1
   ATOM 1044 SD C MET A 66 ? -0.60677 -18.35879 11.46096 0.614 7.04275 S ? A ? 67 SD 1
   ATOM 1045 CE C MET A 66 ? -2.15308 -19.04050 10.92581 0.614 8.29871 C ? A ? 67 CE 1
   ATOM 1046 N . SER A 67 ? 0.16228 -19.14810 5.61722 1.000 6.91276 N ? A ? 68 N 1
   ATOM 1047 CA . SER A 67 ? -0.46383 -18.63704 4.41945 1.000 7.08399 C ? A ? 68 CA 1
   ATOM 1048 C . SER A 67 ? -1.95145 -18.33455 4.67621 1.000 6.02995 C ? A ? 68 C 1
   ATOM 1049 O . SER A 67 ? -2.56324 -18.82874 5.63226 1.000 6.70466 O ? A ? 68 O 1
   ATOM 1050 CB A SER A 67 ? -0.22734 -19.58108 3.22010 0.883 7.61898 C ? A ? 68 CB 1
   ATOM 1051 OG A SER A 67 ? -0.75296 -20.88150 3.49783 0.883 7.75385 O ? A ? 68 OG 1
   ATOM 1052 CB B SER A 67 ? -0.31300 -19.62429 3.24814 0.117 7.68010 C ? A ? 68 CB 1
   ATOM 1053 OG B SER A 67 ? -0.93877 -20.87158 3.52449 0.117 7.64336 O ? A ? 68 OG 1
   ATOM 1054 N A VAL A 68 ? -2.53704 -17.50213 3.79770 0.385 7.23208 N ? A ? 69 N 1
   ATOM 1055 CA A VAL A 68 ? -3.89103 -17.04370 4.03211 0.385 6.82129 C ? A ? 69 CA 1
   ATOM 1056 C A VAL A 68 ? -4.84817 -18.21381 4.11213 0.385 7.05597 C ? A ? 69 C 1
   ATOM 1057 O A VAL A 68 ? -4.81593 -19.15158 3.30027 0.385 6.76884 O ? A ? 69 O 1
   ATOM 1058 CB A VAL A 68 ? -4.33324 -15.99793 3.00660 0.385 8.48517 C ? A ? 69 CB 1
   ATOM 1059 CG1 A VAL A 68 ? -5.87218 -15.82727 2.98578 0.385 9.91907 C ? A ? 69 CG1 1
   ATOM 1060 CG2 A VAL A 68 ? -3.64123 -14.67427 3.27278 0.385 9.18211 C ? A ? 69 CG2 1
   ATOM 1061 N C VAL A 68 ? -2.49283 -17.44144 3.83398 0.310 7.18626 N ? A ? 69 N 1
   ATOM 1062 CA C VAL A 68 ? -3.81776 -16.92946 4.08134 0.310 6.61314 C ? A ? 69 CA 1
   ATOM 1063 C C VAL A 68 ? -4.78024 -18.08809 4.06426 0.310 6.54117 C ? A ? 69 C 1
   ATOM 1064 O C VAL A 68 ? -4.76609 -18.92757 3.15624 0.310 7.24590 O ? A ? 69 O 1
   ATOM 1065 CB C VAL A 68 ? -4.22316 -15.87227 3.06022 0.310 8.73057 C ? A ? 69 CB 1
   ATOM 1066 CG1 C VAL A 68 ? -5.58002 -15.27291 3.43020 0.310 8.75760 C ? A ? 69 CG1 1
   ATOM 1067 CG2 C VAL A 68 ? -3.15162 -14.81973 2.95834 0.310 10.38211 C ? A ? 69 CG2 1
   ATOM 1068 N D VAL A 68 ? -2.54124 -17.51265 3.79648 0.305 7.24650 N ? A ? 69 N 1
   ATOM 1069 CA D VAL A 68 ? -3.91112 -17.08104 4.01243 0.305 6.80126 C ? A ? 69 CA 1
   ATOM 1070 C D VAL A 68 ? -4.83709 -18.28019 4.10121 0.305 6.99131 C ? A ? 69 C 1
   ATOM 1071 O D VAL A 68 ? -4.74897 -19.22717 3.30395 0.305 6.72522 O ? A ? 69 O 1
   ATOM 1072 CB D VAL A 68 ? -4.35824 -16.07858 2.94388 0.305 8.40257 C ? A ? 69 CB 1
   ATOM 1073 CG1 D VAL A 68 ? -5.83714 -15.68546 3.13276 0.305 9.59510 C ? A ? 69 CG1 1
   ATOM 1074 CG2 D VAL A 68 ? -3.48162 -14.84108 2.97229 0.305 10.21039 C ? A ? 69 CG2 1
   ATOM 1075 N A GLY A 69 ? -5.71519 -18.14867 5.10467 0.385 6.41350 N ? A ? 70 N 1
   ATOM 1076 CA A GLY A 69 ? -6.70197 -19.15577 5.37635 0.385 7.40976 C ? A ? 70 CA 1
   ATOM 1077 C A GLY A 69 ? -6.28740 -20.16096 6.41578 0.385 6.28242 C ? A ? 70 C 1
   ATOM 1078 O A GLY A 69 ? -7.11623 -20.91133 6.89735 0.385 6.98748 O ? A ? 70 O 1
   ATOM 1079 N C GLY A 69 ? -5.61337 -18.14845 5.08877 0.310 6.20064 N ? A ? 70 N 1
   ATOM 1080 CA C GLY A 69 ? -6.52247 -19.25569 5.32632 0.310 6.81840 C ? A ? 70 CA 1
   ATOM 1081 C C GLY A 69 ? -6.01836 -20.29851 6.29854 0.310 6.40030 C ? A ? 70 C 1
   ATOM 1082 O C GLY A 69 ? -6.79682 -21.19657 6.67305 0.310 6.86569 O ? A ? 70 O 1
   ATOM 1083 N D GLY A 69 ? -5.73012 -18.23951 5.09354 0.305 6.47999 N ? A ? 70 N 1
   ATOM 1084 CA D GLY A 69 ? -6.67453 -19.29250 5.37732 0.305 7.15630 C ? A ? 70 CA 1
   ATOM 1085 C D GLY A 69 ? -6.21361 -20.27350 6.42483 0.305 6.21467 C ? A ? 70 C 1
   ATOM 1086 O D GLY A 69 ? -7.02587 -21.04030 6.94220 0.305 6.71506 O ? A ? 70 O 1
   ATOM 1087 N A GLN A 70 ? -5.01393 -20.23283 6.72246 0.385 5.17359 N ? A ? 71 N 1
   ATOM 1088 CA A GLN A 70 ? -4.53066 -21.25268 7.64266 0.385 5.11599 C ? A ? 71 CA 1
   ATOM 1089 C A GLN A 70 ? -5.05099 -21.05236 9.05740 0.385 5.35626 C ? A ? 71 C 1
   ATOM 1090 O A GLN A 70 ? -5.32219 -19.91957 9.49522 0.385 5.33644 O ? A ? 71 O 1
   ATOM 1091 CB A GLN A 70 ? -3.01601 -21.16445 7.65845 0.385 6.14092 C ? A ? 71 CB 1
   ATOM 1092 CG A GLN A 70 ? -2.25455 -22.35383 8.28367 0.385 5.89053 C ? A ? 71 CG 1
   ATOM 1093 CD A GLN A 70 ? -0.68575 -22.20683 8.14172 0.385 7.03441 C ? A ? 71 CD 1
   ATOM 1094 OE1 A GLN A 70 ? -0.15134 -21.40197 7.36213 0.385 7.62445 O ? A ? 71 OE1 1
   ATOM 1095 NE2 A GLN A 70 ? 0.04680 -22.99153 8.94362 0.385 7.33401 N ? A ? 71 NE2 1
   ATOM 1096 N C GLN A 70 ? -4.73412 -20.24352 6.66016 0.310 5.22533 N ? A ? 71 N 1
   ATOM 1097 CA C GLN A 70 ? -4.17343 -21.22254 7.57007 0.310 5.15067 C ? A ? 71 CA 1
   ATOM 1098 C C GLN A 70 ? -4.64400 -20.92892 8.96411 0.310 4.79982 C ? A ? 71 C 1
   ATOM 1099 O C GLN A 70 ? -4.82918 -19.76977 9.38054 0.310 4.83512 O ? A ? 71 O 1
   ATOM 1100 CB C GLN A 70 ? -2.65060 -21.16575 7.51269 0.310 5.38760 C ? A ? 71 CB 1
   ATOM 1101 CG C GLN A 70 ? -1.94385 -22.28464 8.24511 0.310 6.76350 C ? A ? 71 CG 1
   ATOM 1102 CD C GLN A 70 ? -0.50464 -22.28462 7.85983 0.310 7.31737 C ? A ? 71 CD 1
   ATOM 1103 OE1 C GLN A 70 ? -0.16005 -21.72333 6.82522 0.310 7.94904 O ? A ? 71 OE1 1
   ATOM 1104 NE2 C GLN A 70 ? 0.36528 -22.88029 8.67616 0.310 5.62106 N ? A ? 71 NE2 1
   ATOM 1105 N D GLN A 70 ? -4.92420 -20.30966 6.71387 0.305 5.42158 N ? A ? 71 N 1
   ATOM 1106 CA D GLN A 70 ? -4.40693 -21.30500 7.63590 0.305 4.99302 C ? A ? 71 CA 1
   ATOM 1107 C D GLN A 70 ? -4.87338 -21.00745 9.05431 0.305 5.69429 C ? A ? 71 C 1
   ATOM 1108 O D GLN A 70 ? -4.84196 -19.86719 9.51082 0.305 5.51427 O ? A ? 71 O 1
   ATOM 1109 CB D GLN A 70 ? -2.88837 -21.24687 7.56263 0.305 6.23797 C ? A ? 71 CB 1
   ATOM 1110 CG D GLN A 70 ? -2.17463 -22.41637 8.20755 0.305 6.20452 C ? A ? 71 CG 1
   ATOM 1111 CD D GLN A 70 ? -0.71792 -22.41295 7.77718 0.305 7.00534 C ? A ? 71 CD 1
   ATOM 1112 OE1 D GLN A 70 ? -0.31620 -21.66570 6.87838 0.305 8.11042 O ? A ? 71 OE1 1
   ATOM 1113 NE2 D GLN A 70 ? 0.08876 -23.25716 8.39455 0.305 6.92317 N ? A ? 71 NE2 1
   ATOM 1114 N A ARG A 71 ? -5.11163 -22.19275 9.76567 0.385 4.80662 N ? A ? 72 N 1
   ATOM 1115 CA A ARG A 71 ? -5.30291 -22.22889 11.19332 0.385 4.71989 C ? A ? 72 CA 1
   ATOM 1116 C A ARG A 71 ? -4.11839 -22.94149 11.79968 0.385 5.46670 C ? A ? 72 C 1
   ATOM 1117 O A ARG A 71 ? -3.72888 -24.00604 11.30391 0.385 4.16584 O ? A ? 72 O 1
   ATOM 1118 CB A ARG A 71 ? -6.61740 -22.91922 11.58792 0.385 6.26857 C ? A ? 72 CB 1
   ATOM 1119 CG A ARG A 71 ? -6.89730 -22.78298 13.06942 0.385 6.83561 C ? A ? 72 CG 1
   ATOM 1120 CD A ARG A 71 ? -8.19701 -23.41017 13.37613 0.385 6.60288 C ? A ? 72 CD 1
   ATOM 1121 NE A ARG A 71 ? -8.42334 -23.48623 14.79276 0.385 7.07248 N ? A ? 72 NE 1
   ATOM 1122 CZ A ARG A 71 ? -9.37656 -24.23002 15.31073 0.385 7.20698 C ? A ? 72 CZ 1
   ATOM 1123 NH1 A ARG A 71 ? -10.15489 -24.97622 14.52258 0.385 9.66769 N ? A ? 72 NH1 1
   ATOM 1124 NH2 A ARG A 71 ? -9.53084 -24.24607 16.62404 0.385 9.40080 N ? A ? 72 NH2 1
   ATOM 1125 N C ARG A 71 ? -4.86554 -22.00844 9.70382 0.310 4.32892 N ? A ? 72 N 1
   ATOM 1126 CA C ARG A 71 ? -5.10837 -21.90140 11.13569 0.310 4.94798 C ? A ? 72 CA 1
   ATOM 1127 C C ARG A 71 ? -3.99597 -22.68190 11.79626 0.310 4.08580 C ? A ? 72 C 1
   ATOM 1128 O C ARG A 71 ? -3.78463 -23.84502 11.42591 0.310 6.66266 O ? A ? 72 O 1
   ATOM 1129 CB C ARG A 71 ? -6.45720 -22.50488 11.54582 0.310 4.86884 C ? A ? 72 CB 1
   ATOM 1130 CG C ARG A 71 ? -6.89937 -22.25728 13.02199 0.310 5.57202 C ? A ? 72 CG 1
   ATOM 1131 CD C ARG A 71 ? -8.27315 -22.90182 13.38283 0.310 7.81931 C ? A ? 72 CD 1
   ATOM 1132 NE C ARG A 71 ? -8.54945 -22.88216 14.81085 0.310 8.03221 N ? A ? 72 NE 1
   ATOM 1133 CZ C ARG A 71 ? -9.72272 -23.17641 15.36212 0.310 8.92599 C ? A ? 72 CZ 1
   ATOM 1134 NH1 C ARG A 71 ? -10.78241 -23.46423 14.61835 0.310 13.32227 N ? A ? 72 NH1 1
   ATOM 1135 NH2 C ARG A 71 ? -9.84249 -23.15236 16.68630 0.310 11.77990 N ? A ? 72 NH2 1
   ATOM 1136 N D ARG A 71 ? -5.29045 -22.05221 9.76768 0.305 5.09365 N ? A ? 72 N 1
   ATOM 1137 CA D ARG A 71 ? -5.46348 -22.02518 11.21465 0.305 5.06576 C ? A ? 72 CA 1
   ATOM 1138 C D ARG A 71 ? -4.33208 -22.85089 11.83967 0.305 4.80313 C ? A ? 72 C 1
   ATOM 1139 O D ARG A 71 ? -4.17579 -24.03963 11.49057 0.305 5.49153 O ? A ? 72 O 1
   ATOM 1140 CB D ARG A 71 ? -6.80526 -22.65780 11.57762 0.305 5.44366 C ? A ? 72 CB 1
   ATOM 1141 CG D ARG A 71 ? -7.07417 -22.65059 13.04744 0.305 6.89116 C ? A ? 72 CG 1
   ATOM 1142 CD D ARG A 71 ? -8.52871 -22.90721 13.34341 0.305 6.97063 C ? A ? 72 CD 1
   ATOM 1143 NE D ARG A 71 ? -8.75712 -22.51692 14.71321 0.305 7.98972 N ? A ? 72 NE 1
   ATOM 1144 CZ D ARG A 71 ? -9.95707 -22.33680 15.23827 0.305 8.40429 C ? A ? 72 CZ 1
   ATOM 1145 NH1 D ARG A 71 ? -11.04635 -22.39134 14.49086 0.305 12.62080 N ? A ? 72 NH1 1
   ATOM 1146 NH2 D ARG A 71 ? -10.06635 -22.08680 16.53869 0.305 10.59223 N ? A ? 72 NH2 1
   ATOM 1147 N A ALA A 72 ? -3.52378 -22.35460 12.83850 0.385 5.72846 N ? A ? 73 N 1
   ATOM 1148 CA A ALA A 72 ? -2.40710 -23.01936 13.45305 0.385 4.93566 C ? A ? 73 CA 1
   ATOM 1149 C A ALA A 72 ? -2.38409 -22.60689 14.90622 0.385 5.51694 C ? A ? 73 C 1
   ATOM 1150 O A ALA A 72 ? -2.95789 -21.58093 15.32119 0.385 5.83403 O ? A ? 73 O 1
   ATOM 1151 CB A ALA A 72 ? -1.08795 -22.63000 12.77272 0.385 5.80961 C ? A ? 73 CB 1
   ATOM 1152 N C ALA A 72 ? -3.30940 -22.07076 12.76387 0.310 4.38024 N ? A ? 73 N 1
   ATOM 1153 CA C ALA A 72 ? -2.09866 -22.65170 13.30070 0.310 5.70646 C ? A ? 73 CA 1
   ATOM 1154 C C ALA A 72 ? -2.08923 -22.38740 14.79898 0.310 5.63173 C ? A ? 73 C 1
   ATOM 1155 O C ALA A 72 ? -2.40963 -21.25618 15.20719 0.310 5.09754 O ? A ? 73 O 1
   ATOM 1156 CB C ALA A 72 ? -0.86683 -21.95812 12.71875 0.310 5.23292 C ? A ? 73 CB 1
   ATOM 1157 N D ALA A 72 ? -3.52084 -22.22858 12.73132 0.305 5.71404 N ? A ? 73 N 1
   ATOM 1158 CA D ALA A 72 ? -2.30407 -22.85407 13.26300 0.305 5.62749 C ? A ? 73 CA 1
   ATOM 1159 C D ALA A 72 ? -2.12969 -22.57661 14.75679 0.305 5.29544 C ? A ? 73 C 1
   ATOM 1160 O D ALA A 72 ? -2.65397 -21.60594 15.31371 0.305 5.99023 O ? A ? 73 O 1
   ATOM 1161 CB D ALA A 72 ? -1.01198 -22.40042 12.57290 0.305 6.35196 C ? A ? 73 CB 1
   ATOM 1162 N A LYS A 73 ? -1.60141 -23.36450 15.65472 0.385 5.90441 N ? A ? 74 N 1
   ATOM 1163 CA A LYS A 73 ? -1.20007 -22.96134 16.98801 0.385 5.02096 C ? A ? 74 CA 1
   ATOM 1164 C A LYS A 73 ? 0.27838 -22.60139 16.95161 0.385 6.70334 C ? A ? 74 C 1
   ATOM 1165 O A LYS A 73 ? 1.12984 -23.45432 16.60146 0.385 6.86820 O ? A ? 74 O 1
   ATOM 1166 CB A LYS A 73 ? -1.47761 -24.14091 17.93745 0.385 6.42495 C ? A ? 74 CB 1
   ATOM 1167 CG A LYS A 73 ? -0.90736 -24.19074 19.26231 0.385 13.51043 C ? A ? 74 CG 1
   ATOM 1168 CD A LYS A 73 ? -1.46059 -25.38991 20.08053 0.385 19.58862 C ? A ? 74 CD 1
   ATOM 1169 CE A LYS A 73 ? -1.82128 -26.59635 19.21439 0.385 17.35829 C ? A ? 74 CE 1
   ATOM 1170 NZ A LYS A 73 ? -0.60227 -27.35525 18.82396 0.385 21.88739 N ? A ? 74 NZ 1
   ATOM 1171 N C LYS A 73 ? -1.78312 -23.45207 15.60197 0.310 5.66497 N ? A ? 74 N 1
   ATOM 1172 CA C LYS A 73 ? -1.33154 -23.33965 16.97892 0.310 6.08197 C ? A ? 74 CA 1
   ATOM 1173 C C LYS A 73 ? 0.09835 -22.82637 16.97812 0.310 4.69699 C ? A ? 74 C 1
   ATOM 1174 O C LYS A 73 ? 1.03104 -23.48735 16.47598 0.310 7.39525 O ? A ? 74 O 1
   ATOM 1175 CB C LYS A 73 ? -1.36378 -24.71281 17.66266 0.310 8.63269 C ? A ? 74 CB 1
   ATOM 1176 CG C LYS A 73 ? -0.80886 -24.70792 19.04526 0.310 11.50542 C ? A ? 74 CG 1
   ATOM 1177 CD C LYS A 73 ? -0.67740 -26.13698 19.56924 0.310 14.04258 C ? A ? 74 CD 1
   ATOM 1178 CE C LYS A 73 ? -0.26754 -26.20868 21.03219 0.310 18.14269 C ? A ? 74 CE 1
   ATOM 1179 NZ C LYS A 73 ? 0.00713 -27.61066 21.47462 0.310 20.73676 N ? A ? 74 NZ 1
   ATOM 1180 N D LYS A 73 ? -1.33471 -23.42699 15.39973 0.305 5.27995 N ? A ? 74 N 1
   ATOM 1181 CA D LYS A 73 ? -0.93811 -23.28368 16.78269 0.305 4.72651 C ? A ? 74 CA 1
   ATOM 1182 C D LYS A 73 ? 0.43597 -22.62707 16.79556 0.305 5.92100 C ? A ? 74 C 1
   ATOM 1183 O D LYS A 73 ? 1.37876 -23.13081 16.18073 0.305 4.50132 O ? A ? 74 O 1
   ATOM 1184 CB D LYS A 73 ? -0.91362 -24.68075 17.44440 0.305 9.25027 C ? A ? 74 CB 1
   ATOM 1185 CG D LYS A 73 ? -0.54525 -24.75100 18.90168 0.305 11.72170 C ? A ? 74 CG 1
   ATOM 1186 CD D LYS A 73 ? -0.21964 -26.19020 19.34073 0.305 14.70698 C ? A ? 74 CD 1
   ATOM 1187 CE D LYS A 73 ? -0.17965 -26.34340 20.85583 0.305 18.36072 C ? A ? 74 CE 1
   ATOM 1188 NZ D LYS A 73 ? 0.24472 -27.71293 21.27308 0.305 20.88489 N ? A ? 74 NZ 1
   ATOM 1189 N A LEU A 74 ? 0.56518 -21.34915 17.39533 0.385 5.54873 N ? A ? 75 N 1
   ATOM 1190 CA A LEU A 74 ? 1.90182 -20.81298 17.60536 0.385 6.00810 C ? A ? 75 CA 1
   ATOM 1191 C A LEU A 74 ? 2.25249 -21.00659 19.07927 0.385 6.31032 C ? A ? 75 C 1
   ATOM 1192 O A LEU A 74 ? 1.62902 -20.38624 19.95370 0.385 5.55485 O ? A ? 75 O 1
   ATOM 1193 CB A LEU A 74 ? 1.95281 -19.31966 17.31316 0.385 5.89496 C ? A ? 75 CB 1
   ATOM 1194 CG A LEU A 74 ? 1.95879 -19.01919 15.84510 0.385 7.05530 C ? A ? 75 CG 1
   ATOM 1195 CD1 A LEU A 74 ? 0.75397 -19.65643 15.13367 0.385 6.70893 C ? A ? 75 CD1 1
   ATOM 1196 CD2 A LEU A 74 ? 1.95656 -17.51004 15.70831 0.385 8.13590 C ? A ? 75 CD2 1
   ATOM 1197 N C LEU A 74 ? 0.30263 -21.66464 17.56870 0.310 5.26405 N ? A ? 75 N 1
   ATOM 1198 CA C LEU A 74 ? 1.63960 -21.12896 17.72329 0.310 5.54641 C ? A ? 75 CA 1
   ATOM 1199 C C LEU A 74 ? 2.06042 -21.33369 19.16439 0.310 5.32587 C ? A ? 75 C 1
   ATOM 1200 O C LEU A 74 ? 1.36202 -20.90269 20.07458 0.310 4.85506 O ? A ? 75 O 1
   ATOM 1201 CB C LEU A 74 ? 1.67195 -19.63467 17.45564 0.310 5.50688 C ? A ? 75 CB 1
   ATOM 1202 CG C LEU A 74 ? 1.34390 -18.93793 16.10226 0.310 8.17378 C ? A ? 75 CG 1
   ATOM 1203 CD1 C LEU A 74 ? 1.40841 -17.35086 16.14678 0.310 7.00342 C ? A ? 75 CD1 1
   ATOM 1204 CD2 C LEU A 74 ? 2.16324 -19.50230 14.89778 0.310 8.63562 C ? A ? 75 CD2 1
   ATOM 1205 N D LEU A 74 ? 0.55422 -21.51785 17.50451 0.305 6.13906 N ? A ? 75 N 1
   ATOM 1206 CA D LEU A 74 ? 1.81834 -20.82405 17.64126 0.305 5.84206 C ? A ? 75 CA 1
   ATOM 1207 C D LEU A 74 ? 2.23002 -21.01537 19.09896 0.305 6.32267 C ? A ? 75 C 1
   ATOM 1208 O D LEU A 74 ? 1.59654 -20.43854 19.98746 0.305 5.50763 O ? A ? 75 O 1
   ATOM 1209 CB D LEU A 74 ? 1.66132 -19.34070 17.31200 0.305 6.56552 C ? A ? 75 CB 1
   ATOM 1210 CG D LEU A 74 ? 1.07309 -18.99710 15.93286 0.305 7.95415 C ? A ? 75 CG 1
   ATOM 1211 CD1 D LEU A 74 ? 1.22952 -17.54168 15.61100 0.305 8.10283 C ? A ? 75 CD1 1
   ATOM 1212 CD2 D LEU A 74 ? 1.71170 -19.84032 14.83855 0.305 6.99085 C ? A ? 75 CD2 1
   ATOM 1213 N . THR A 75 ? 3.25087 -21.83623 19.35849 1.000 6.56411 N ? A ? 76 N 1
   ATOM 1214 CA . THR A 75 ? 3.79547 -22.01199 20.69746 1.000 6.66115 C ? A ? 76 CA 1
   ATOM 1215 C . THR A 75 ? 5.01552 -21.10853 20.80894 1.000 6.55121 C ? A ? 76 C 1
   ATOM 1216 O . THR A 75 ? 5.98475 -21.27166 20.05729 1.000 6.95986 O ? A ? 76 O 1
   ATOM 1217 CB . THR A 75 ? 4.15269 -23.46705 20.98328 1.000 8.38385 C ? A ? 76 CB 1
   ATOM 1218 OG1 . THR A 75 ? 2.96655 -24.26909 20.90651 1.000 9.07814 O ? A ? 76 OG1 1
   ATOM 1219 CG2 . THR A 75 ? 4.70833 -23.63615 22.39503 1.000 9.68088 C ? A ? 76 CG2 1
   ATOM 1220 N . ILE A 76 ? 4.97027 -20.16892 21.73902 1.000 6.30453 N ? A ? 77 N 1
   ATOM 1221 CA . ILE A 76 ? 5.87446 -19.03768 21.78838 1.000 5.96153 C ? A ? 77 CA 1
   ATOM 1222 C . ILE A 76 ? 6.62805 -19.05963 23.10941 1.000 6.22657 C ? A ? 77 C 1
   ATOM 1223 O . ILE A 76 ? 6.01682 -19.08129 24.18467 1.000 6.42291 O ? A ? 77 O 1
   ATOM 1224 CB B ILE A 76 ? 5.13389 -17.71601 21.57298 0.441 6.12856 C ? A ? 77 CB 1
   ATOM 1225 CG1 B ILE A 76 ? 4.52979 -17.65565 20.17128 0.441 5.98278 C ? A ? 77 CG1 1
   ATOM 1226 CG2 B ILE A 76 ? 6.05229 -16.60482 21.78479 0.441 6.59079 C ? A ? 77 CG2 1
   ATOM 1227 CD1 B ILE A 76 ? 3.61715 -16.43327 19.97157 0.441 6.43265 C ? A ? 77 CD1 1
   ATOM 1228 CB C ILE A 76 ? 5.07009 -17.74510 21.66545 0.559 5.87333 C ? A ? 77 CB 1
   ATOM 1229 CG1 C ILE A 76 ? 4.23424 -17.74704 20.38392 0.559 5.90570 C ? A ? 77 CG1 1
   ATOM 1230 CG2 C ILE A 76 ? 6.01781 -16.50834 21.70012 0.559 6.43083 C ? A ? 77 CG2 1
   ATOM 1231 CD1 C ILE A 76 ? 3.32527 -16.58275 20.25832 0.559 7.18117 C ? A ? 77 CD1 1
   ATOM 1232 N A SER A 77 ? 7.95774 -19.01078 23.02162 0.291 6.37772 N ? A ? 78 N 1
   ATOM 1233 CA A SER A 77 ? 8.77887 -19.06075 24.20591 0.291 6.87006 C ? A ? 78 CA 1
   ATOM 1234 C A SER A 77 ? 8.62489 -17.77068 25.00376 0.291 6.10436 C ? A ? 78 C 1
   ATOM 1235 O A SER A 77 ? 8.12180 -16.76192 24.49698 0.291 6.34704 O ? A ? 78 O 1
   ATOM 1236 CB A SER A 77 ? 10.24505 -19.22404 23.82159 0.291 8.52790 C ? A ? 78 CB 1
   ATOM 1237 OG A SER A 77 ? 10.72759 -18.01290 23.25216 0.291 9.02751 O ? A ? 78 OG 1
   ATOM 1238 N B SER A 77 ? 7.94406 -19.17630 23.04682 0.344 6.44395 N ? A ? 78 N 1
   ATOM 1239 CA B SER A 77 ? 8.70362 -19.23276 24.27715 0.344 7.02031 C ? A ? 78 CA 1
   ATOM 1240 C B SER A 77 ? 8.57247 -17.90772 25.01318 0.344 5.72299 C ? A ? 78 C 1
   ATOM 1241 O B SER A 77 ? 8.36073 -16.86366 24.38462 0.344 6.30319 O ? A ? 78 O 1
   ATOM 1242 CB B SER A 77 ? 10.17403 -19.45819 23.97358 0.344 7.51528 C ? A ? 78 CB 1
   ATOM 1243 OG B SER A 77 ? 10.71776 -18.37179 23.24514 0.344 10.79522 O ? A ? 78 OG 1
   ATOM 1244 N C SER A 77 ? 7.95423 -18.92572 23.02322 0.365 6.19532 N ? A ? 78 N 1
   ATOM 1245 CA C SER A 77 ? 8.74949 -18.88311 24.22946 0.365 6.68183 C ? A ? 78 CA 1
   ATOM 1246 C C SER A 77 ? 8.61181 -17.53371 24.95630 0.365 5.72581 C ? A ? 78 C 1
   ATOM 1247 O C SER A 77 ? 8.35386 -16.50053 24.32959 0.365 5.96664 O ? A ? 78 O 1
   ATOM 1248 CB C SER A 77 ? 10.22061 -19.11842 23.90915 0.365 8.60243 C ? A ? 78 CB 1
   ATOM 1249 OG C SER A 77 ? 10.74425 -17.94123 23.28977 0.365 8.78560 O ? A ? 78 OG 1
   ATOM 1250 N A PRO A 78 ? 9.10754 -17.75734 26.24891 0.291 5.94431 N ? A ? 79 N 1
   ATOM 1251 CA A PRO A 78 ? 9.01559 -16.49961 27.02221 0.291 6.67696 C ? A ? 79 CA 1
   ATOM 1252 C A PRO A 78 ? 9.76954 -15.37261 26.35946 0.291 6.15087 C ? A ? 79 C 1
   ATOM 1253 O A PRO A 78 ? 9.29907 -14.23015 26.34917 0.291 6.38339 O ? A ? 79 O 1
   ATOM 1254 CB A PRO A 78 ? 9.59551 -16.87290 28.39663 0.291 7.62274 C ? A ? 79 CB 1
   ATOM 1255 CG A PRO A 78 ? 9.35706 -18.31419 28.49842 0.291 6.32853 C ? A ? 79 CG 1
   ATOM 1256 CD A PRO A 78 ? 9.50462 -18.88767 27.12737 0.291 6.34610 C ? A ? 79 CD 1
   ATOM 1257 N B PRO A 78 ? 8.74993 -17.91713 26.32913 0.344 5.55772 N ? A ? 79 N 1
   ATOM 1258 CA B PRO A 78 ? 8.57349 -16.67545 27.09783 0.344 5.79065 C ? A ? 79 CA 1
   ATOM 1259 C B PRO A 78 ? 9.33478 -15.49660 26.53334 0.344 4.81278 C ? A ? 79 C 1
   ATOM 1260 O B PRO A 78 ? 8.77888 -14.40172 26.46260 0.344 5.71935 O ? A ? 79 O 1
   ATOM 1261 CB B PRO A 78 ? 9.06164 -17.05364 28.49777 0.344 7.36442 C ? A ? 79 CB 1
   ATOM 1262 CG B PRO A 78 ? 8.74133 -18.50432 28.63616 0.344 7.38833 C ? A ? 79 CG 1
   ATOM 1263 CD B PRO A 78 ? 8.95780 -19.07852 27.21787 0.344 6.82339 C ? A ? 79 CD 1
   ATOM 1264 N C PRO A 78 ? 8.87820 -17.50128 26.27599 0.365 6.31723 N ? A ? 79 N 1
   ATOM 1265 CA C PRO A 78 ? 8.76730 -16.20271 26.98470 0.365 5.24108 C ? A ? 79 CA 1
   ATOM 1266 C C PRO A 78 ? 9.59261 -15.09223 26.35513 0.365 6.12927 C ? A ? 79 C 1
   ATOM 1267 O C PRO A 78 ? 9.12194 -13.96184 26.23406 0.365 6.27308 O ? A ? 79 O 1
   ATOM 1268 CB C PRO A 78 ? 9.19981 -16.53078 28.41542 0.365 6.31456 C ? A ? 79 CB 1
   ATOM 1269 CG C PRO A 78 ? 9.00786 -17.95551 28.57642 0.365 6.81467 C ? A ? 79 CG 1
   ATOM 1270 CD C PRO A 78 ? 9.14115 -18.60645 27.23423 0.365 7.18559 C ? A ? 79 CD 1
   ATOM 1271 N A ASP A 79 ? 10.94723 -15.65741 25.81597 0.291 7.36606 N ? A ? 80 N 1
   ATOM 1272 CA A ASP A 79 ? 11.74097 -14.57762 25.25124 0.291 8.90882 C ? A ? 80 CA 1
   ATOM 1273 C A ASP A 79 ? 11.04490 -13.94418 24.06710 0.291 7.60578 C ? A ? 80 C 1
   ATOM 1274 O A ASP A 79 ? 11.34935 -12.80559 23.71608 0.291 7.52019 O ? A ? 80 O 1
   ATOM 1275 CB A ASP A 79 ? 13.12082 -15.09737 24.85872 0.291 12.17883 C ? A ? 80 CB 1
   ATOM 1276 CG A ASP A 79 ? 14.17057 -13.99489 24.82839 0.291 17.27051 C ? A ? 80 CG 1
   ATOM 1277 OD1 A ASP A 79 ? 13.81181 -12.80552 24.95039 0.291 19.47595 O ? A ? 80 OD1 1
   ATOM 1278 OD2 A ASP A 79 ? 15.36528 -14.29734 24.63501 0.291 21.49372 O ? A ? 80 OD2 1
   ATOM 1279 N B ASP A 79 ? 10.59138 -15.67052 26.10668 0.344 5.58386 N ? A ? 80 N 1
   ATOM 1280 CA B ASP A 79 ? 11.34402 -14.49447 25.63618 0.344 5.91726 C ? A ? 80 CA 1
   ATOM 1281 C B ASP A 79 ? 10.75243 -13.92254 24.34617 0.344 7.32569 C ? A ? 80 C 1
   ATOM 1282 O B ASP A 79 ? 10.97864 -12.74695 24.02663 0.344 6.87480 O ? A ? 80 O 1
   ATOM 1283 CB B ASP A 79 ? 12.83989 -14.80340 25.43131 0.344 9.32964 C ? A ? 80 CB 1
   ATOM 1284 CG B ASP A 79 ? 13.69806 -13.55001 25.18548 0.344 14.39826 C ? A ? 80 CG 1
   ATOM 1285 OD1 B ASP A 79 ? 13.76521 -12.65649 26.06311 0.344 11.64782 O ? A ? 80 OD1 1
   ATOM 1286 OD2 B ASP A 79 ? 14.38781 -13.47427 24.13081 0.344 12.59789 O ? A ? 80 OD2 1
   ATOM 1287 N C ASP A 79 ? 10.79398 -15.38356 25.86820 0.365 6.89977 N ? A ? 80 N 1
   ATOM 1288 CA C ASP A 79 ? 11.59369 -14.31011 25.28475 0.365 8.85656 C ? A ? 80 CA 1
   ATOM 1289 C C ASP A 79 ? 10.99831 -13.76050 23.98212 0.365 6.66707 C ? A ? 80 C 1
   ATOM 1290 O C ASP A 79 ? 11.27715 -12.61555 23.61975 0.365 7.76013 O ? A ? 80 O 1
   ATOM 1291 CB C ASP A 79 ? 13.02119 -14.76521 25.10642 0.365 10.52471 C ? A ? 80 CB 1
   ATOM 1292 CG C ASP A 79 ? 13.98356 -13.63123 25.08974 0.365 16.97419 C ? A ? 80 CG 1
   ATOM 1293 OD1 C ASP A 79 ? 14.14432 -12.93565 26.11943 0.365 16.73863 O ? A ? 80 OD1 1
   ATOM 1294 OD2 C ASP A 79 ? 14.59638 -13.41668 24.02905 0.365 12.72003 O ? A ? 80 OD2 1
   ATOM 1295 N A TYR A 80 ? 10.14389 -14.67294 23.43497 0.291 6.66067 N ? A ? 81 N 1
   ATOM 1296 CA A TYR A 80 ? 9.44784 -14.17060 22.26275 0.291 6.92235 C ? A ? 81 CA 1
   ATOM 1297 C A TYR A 80 ? 8.06588 -13.63108 22.59150 0.291 6.51444 C ? A ? 81 C 1
   ATOM 1298 O A TYR A 80 ? 7.33100 -13.21095 21.67570 0.291 6.17737 O ? A ? 81 O 1
   ATOM 1299 CB A TYR A 80 ? 9.43093 -15.24021 21.18573 0.291 6.33600 C ? A ? 81 CB 1
   ATOM 1300 CG A TYR A 80 ? 10.74476 -15.30654 20.49442 0.291 7.16311 C ? A ? 81 CG 1
   ATOM 1301 CD1 A TYR A 80 ? 11.90964 -15.65020 21.16877 0.291 7.09758 C ? A ? 81 CD1 1
   ATOM 1302 CD2 A TYR A 80 ? 10.82769 -15.00684 19.15431 0.291 6.89139 C ? A ? 81 CD2 1
   ATOM 1303 CE1 A TYR A 80 ? 13.09016 -15.70215 20.51143 0.291 8.87285 C ? A ? 81 CE1 1
   ATOM 1304 CE2 A TYR A 80 ? 12.00914 -15.04982 18.49457 0.291 10.13408 C ? A ? 81 CE2 1
   ATOM 1305 CZ A TYR A 80 ? 13.14221 -15.37845 19.18079 0.291 9.49354 C ? A ? 81 CZ 1
   ATOM 1306 OH A TYR A 80 ? 14.33636 -15.43466 18.49565 0.291 11.09002 O ? A ? 81 OH 1
   ATOM 1307 N B TYR A 80 ? 9.98708 -14.73393 23.61079 0.344 5.78337 N ? A ? 81 N 1
   ATOM 1308 CA B TYR A 80 ? 9.26516 -14.30164 22.41254 0.344 6.94931 C ? A ? 81 CA 1
   ATOM 1309 C B TYR A 80 ? 7.83551 -13.79412 22.72342 0.344 6.14688 C ? A ? 81 C 1
   ATOM 1310 O B TYR A 80 ? 7.06790 -13.51053 21.78586 0.344 5.89226 O ? A ? 81 O 1
   ATOM 1311 CB B TYR A 80 ? 9.34182 -15.40820 21.34862 0.344 6.95855 C ? A ? 81 CB 1
   ATOM 1312 CG B TYR A 80 ? 10.67236 -15.36208 20.62165 0.344 6.72656 C ? A ? 81 CG 1
   ATOM 1313 CD1 B TYR A 80 ? 11.84528 -15.72506 21.25775 0.344 6.99568 C ? A ? 81 CD1 1
   ATOM 1314 CD2 B TYR A 80 ? 10.76282 -14.91010 19.29005 0.344 7.57874 C ? A ? 81 CD2 1
   ATOM 1315 CE1 B TYR A 80 ? 13.03946 -15.67940 20.60092 0.344 8.58681 C ? A ? 81 CE1 1
   ATOM 1316 CE2 B TYR A 80 ? 11.96924 -14.85371 18.64160 0.344 9.20431 C ? A ? 81 CE2 1
   ATOM 1317 CZ B TYR A 80 ? 13.11603 -15.20218 19.29551 0.344 7.97087 C ? A ? 81 CZ 1
   ATOM 1318 OH B TYR A 80 ? 14.34407 -15.15879 18.61290 0.344 10.41489 O ? A ? 81 OH 1
   ATOM 1319 N C TYR A 80 ? 10.24894 -14.57796 23.24092 0.365 7.00557 N ? A ? 81 N 1
   ATOM 1320 CA C TYR A 80 ? 9.43705 -14.11929 22.11533 0.365 6.91417 C ? A ? 81 CA 1
   ATOM 1321 C C TYR A 80 ? 8.05191 -13.62144 22.55012 0.365 6.44029 C ? A ? 81 C 1
   ATOM 1322 O C TYR A 80 ? 7.16745 -13.42513 21.69097 0.365 5.91439 O ? A ? 81 O 1
   ATOM 1323 CB C TYR A 80 ? 9.32768 -15.23476 21.07193 0.365 6.50529 C ? A ? 81 CB 1
   ATOM 1324 CG C TYR A 80 ? 10.48004 -15.31538 20.09773 0.365 8.99678 C ? A ? 81 CG 1
   ATOM 1325 CD1 C TYR A 80 ? 11.79047 -15.41243 20.55728 0.365 11.29017 C ? A ? 81 CD1 1
   ATOM 1326 CD2 C TYR A 80 ? 10.26556 -15.28689 18.72733 0.365 11.28819 C ? A ? 81 CD2 1
   ATOM 1327 CE1 C TYR A 80 ? 12.85472 -15.51106 19.68019 0.365 10.44071 C ? A ? 81 CE1 1
   ATOM 1328 CE2 C TYR A 80 ? 11.33126 -15.34431 17.85325 0.365 10.71365 C ? A ? 81 CE2 1
   ATOM 1329 CZ C TYR A 80 ? 12.61855 -15.45252 18.33640 0.365 12.52682 C ? A ? 81 CZ 1
   ATOM 1330 OH C TYR A 80 ? 13.67798 -15.51151 17.46546 0.365 16.67773 O ? A ? 81 OH 1
   ATOM 1331 N A ALA A 81 ? 7.73540 -13.60109 23.88966 0.291 6.42742 N ? A ? 82 N 1
   ATOM 1332 CA A ALA A 81 ? 6.54573 -12.94974 24.39725 0.291 6.58361 C ? A ? 82 CA 1
   ATOM 1333 C A ALA A 81 ? 6.87290 -12.08522 25.59751 0.291 5.53360 C ? A ? 82 C 1
   ATOM 1334 O A ALA A 81 ? 7.64019 -11.14319 25.42834 0.291 6.66003 O ? A ? 82 O 1
   ATOM 1335 CB A ALA A 81 ? 5.50510 -13.99362 24.70369 0.291 4.57533 C ? A ? 82 CB 1
   ATOM 1336 N B ALA A 81 ? 7.51325 -13.65698 24.01962 0.344 5.63127 N ? A ? 82 N 1
   ATOM 1337 CA B ALA A 81 ? 6.23050 -13.18463 24.51858 0.344 4.24905 C ? A ? 82 CA 1
   ATOM 1338 C B ALA A 81 ? 6.54294 -12.10564 25.56955 0.344 6.38247 C ? A ? 82 C 1
   ATOM 1339 O B ALA A 81 ? 7.02950 -11.02814 25.26096 0.344 6.40901 O ? A ? 82 O 1
   ATOM 1340 CB B ALA A 81 ? 5.34333 -14.34002 24.98213 0.344 6.73473 C ? A ? 82 CB 1
   ATOM 1341 N C ALA A 81 ? 7.86733 -13.38730 23.86177 0.365 5.54973 N ? A ? 82 N 1
   ATOM 1342 CA C ALA A 81 ? 6.58190 -13.02808 24.43420 0.365 6.67630 C ? A ? 82 CA 1
   ATOM 1343 C C ALA A 81 ? 6.84606 -12.09005 25.59023 0.365 5.56833 C ? A ? 82 C 1
   ATOM 1344 O C ALA A 81 ? 7.52507 -11.09271 25.37546 0.365 6.69309 O ? A ? 82 O 1
   ATOM 1345 CB C ALA A 81 ? 5.75813 -14.26006 24.82235 0.365 7.46782 C ? A ? 82 CB 1
   ATOM 1346 N . TYR A 82 ? 6.32322 -12.37699 26.81684 1.000 7.11672 N ? A ? 83 N 1
   ATOM 1347 CA . TYR A 82 ? 6.42962 -11.41856 27.91316 1.000 6.59941 C ? A ? 83 CA 1
   ATOM 1348 C . TYR A 82 ? 7.55106 -11.76196 28.89735 1.000 6.37667 C ? A ? 83 C 1
   ATOM 1349 O . TYR A 82 ? 7.64870 -11.12933 29.97962 1.000 6.70688 O ? A ? 83 O 1
   ATOM 1350 CB A TYR A 82 ? 5.09612 -11.15536 28.59260 0.549 7.63682 C ? A ? 83 CB 1
   ATOM 1351 CG A TYR A 82 ? 4.13734 -10.63528 27.58422 0.549 6.00751 C ? A ? 83 CG 1
   ATOM 1352 CD1 A TYR A 82 ? 4.27231 -9.36301 27.01131 0.549 6.79768 C ? A ? 83 CD1 1
   ATOM 1353 CD2 A TYR A 82 ? 3.12017 -11.47212 27.09903 0.549 7.99031 C ? A ? 83 CD2 1
   ATOM 1354 CE1 A TYR A 82 ? 3.36136 -8.94356 26.04880 0.549 9.09516 C ? A ? 83 CE1 1
   ATOM 1355 CE2 A TYR A 82 ? 2.24074 -11.05975 26.10692 0.549 7.86116 C ? A ? 83 CE2 1
   ATOM 1356 CZ A TYR A 82 ? 2.35601 -9.80718 25.58989 0.549 7.89426 C ? A ? 83 CZ 1
   ATOM 1357 OH A TYR A 82 ? 1.43333 -9.45441 24.63805 0.549 7.77430 O ? A ? 83 OH 1
   ATOM 1358 CB C TYR A 82 ? 5.06473 -11.26331 28.63925 0.451 7.21875 C ? A ? 83 CB 1
   ATOM 1359 CG C TYR A 82 ? 3.97544 -10.79974 27.66975 0.451 6.57191 C ? A ? 83 CG 1
   ATOM 1360 CD1 C TYR A 82 ? 3.96010 -9.50147 27.16539 0.451 6.88728 C ? A ? 83 CD1 1
   ATOM 1361 CD2 C TYR A 82 ? 2.99261 -11.69071 27.19230 0.451 6.66726 C ? A ? 83 CD2 1
   ATOM 1362 CE1 C TYR A 82 ? 3.00727 -9.09207 26.23828 0.451 7.69725 C ? A ? 83 CE1 1
   ATOM 1363 CE2 C TYR A 82 ? 2.01165 -11.26238 26.26875 0.451 8.24527 C ? A ? 83 CE2 1
   ATOM 1364 CZ C TYR A 82 ? 2.03590 -9.96761 25.78149 0.451 7.06671 C ? A ? 83 CZ 1
   ATOM 1365 OH C TYR A 82 ? 1.10448 -9.52199 24.83990 0.451 10.70172 O ? A ? 83 OH 1
   ATOM 1366 N . GLY A 83 ? 8.41717 -12.70549 28.57693 1.000 7.09633 N ? A ? 84 N 1
   ATOM 1367 CA . GLY A 83 ? 9.66594 -12.89090 29.25068 1.000 7.15588 C ? A ? 84 CA 1
   ATOM 1368 C . GLY A 83 ? 9.51381 -13.22194 30.69215 1.000 6.49721 C ? A ? 84 C 1
   ATOM 1369 O . GLY A 83 ? 8.57347 -13.83805 31.16663 1.000 7.53343 O ? A ? 84 O 1
   ATOM 1370 N . ALA A 84 ? 10.54436 -12.83000 31.45576 1.000 7.14440 N ? A ? 85 N 1
   ATOM 1371 CA . ALA A 84 ? 10.56963 -13.05994 32.88897 1.000 7.54640 C ? A ? 85 CA 1
   ATOM 1372 C . ALA A 84 ? 9.55961 -12.16374 33.62178 1.000 7.16970 C ? A ? 85 C 1
   ATOM 1373 O . ALA A 84 ? 9.29692 -12.39542 34.79922 1.000 9.39620 O ? A ? 85 O 1
   ATOM 1374 CB . ALA A 84 ? 11.98330 -12.76259 33.41780 1.000 8.39018 C ? A ? 85 CB 1
   ATOM 1375 N . THR A 85 ? 9.02546 -11.15837 32.95425 1.000 7.68074 N ? A ? 86 N 1
   ATOM 1376 CA . THR A 85 ? 8.07313 -10.27415 33.61726 1.000 6.95520 C ? A ? 86 CA 1
   ATOM 1377 C . THR A 85 ? 6.66789 -10.85070 33.64558 1.000 6.59287 C ? A ? 86 C 1
   ATOM 1378 O . THR A 85 ? 5.96174 -10.76581 34.67245 1.000 7.84610 O ? A ? 86 O 1
   ATOM 1379 CB A THR A 85 ? 8.03512 -8.91196 32.89098 0.755 7.62961 C ? A ? 86 CB 1
   ATOM 1380 OG1 A THR A 85 ? 9.33574 -8.33864 32.88918 0.755 7.50055 O ? A ? 86 OG1 1
   ATOM 1381 CG2 A THR A 85 ? 7.11650 -7.93080 33.56502 0.755 8.42970 C ? A ? 86 CG2 1
   ATOM 1382 CB B THR A 85 ? 8.06356 -8.91552 32.92248 0.245 7.62300 C ? A ? 86 CB 1
   ATOM 1383 OG1 B THR A 85 ? 9.39283 -8.39095 32.90445 0.245 7.30986 O ? A ? 86 OG1 1
   ATOM 1384 CG2 B THR A 85 ? 7.17141 -7.95996 33.66472 0.245 8.19790 C ? A ? 86 CG2 1
   ATOM 1385 N A GLY A 86 ? 6.23492 -11.41409 32.51921 0.292 6.63308 N ? A ? 87 N 1
   ATOM 1386 CA A GLY A 86 ? 4.84434 -11.72743 32.31464 0.292 7.26358 C ? A ? 87 CA 1
   ATOM 1387 C A GLY A 86 ? 4.05837 -10.48181 31.98611 0.292 7.19620 C ? A ? 87 C 1
   ATOM 1388 O A GLY A 86 ? 4.60414 -9.47539 31.55293 0.292 8.06831 O ? A ? 87 O 1
   ATOM 1389 N B GLY A 86 ? 6.25110 -11.47384 32.54143 0.414 6.51218 N ? A ? 87 N 1
   ATOM 1390 CA B GLY A 86 ? 4.85881 -11.76029 32.31781 0.414 7.36559 C ? A ? 87 CA 1
   ATOM 1391 C B GLY A 86 ? 4.11531 -10.49422 32.01282 0.414 7.21342 C ? A ? 87 C 1
   ATOM 1392 O B GLY A 86 ? 4.70575 -9.48513 31.70023 0.414 7.85322 O ? A ? 87 O 1
   ATOM 1393 N C GLY A 86 ? 6.24142 -11.42515 32.52363 0.294 6.62794 N ? A ? 87 N 1
   ATOM 1394 CA C GLY A 86 ? 4.85475 -11.74794 32.32097 0.294 7.32411 C ? A ? 87 CA 1
   ATOM 1395 C C GLY A 86 ? 4.04878 -10.51786 31.97284 0.294 7.20071 C ? A ? 87 C 1
   ATOM 1396 O C GLY A 86 ? 4.56464 -9.52457 31.46868 0.294 8.08512 O ? A ? 87 O 1
   ATOM 1397 N A HIS A 87 ? 2.74708 -10.57559 32.14299 0.292 7.91925 N ? A ? 88 N 1
   ATOM 1398 CA A HIS A 87 ? 1.86782 -9.45085 31.85712 0.292 8.23767 C ? A ? 88 CA 1
   ATOM 1399 C A HIS A 87 ? 0.94401 -9.28978 33.05287 0.292 8.29204 C ? A ? 88 C 1
   ATOM 1400 O A HIS A 87 ? 0.23553 -10.24652 33.43018 0.292 8.26141 O ? A ? 88 O 1
   ATOM 1401 CB A HIS A 87 ? 1.08307 -9.62735 30.55878 0.292 8.67845 C ? A ? 88 CB 1
   ATOM 1402 CG A HIS A 87 ? 0.49369 -8.34844 30.06702 0.292 8.50321 C ? A ? 88 CG 1
   ATOM 1403 ND1 A HIS A 87 ? -0.53494 -7.70029 30.71834 0.292 10.00563 N ? A ? 88 ND1 1
   ATOM 1404 CD2 A HIS A 87 ? 0.84758 -7.55045 29.03216 0.292 10.85879 C ? A ? 88 CD2 1
   ATOM 1405 CE1 A HIS A 87 ? -0.81760 -6.58068 30.06738 0.292 9.78519 C ? A ? 88 CE1 1
   ATOM 1406 NE2 A HIS A 87 ? -0.00054 -6.47047 29.03468 0.292 9.16212 N ? A ? 88 NE2 1
   ATOM 1407 N B HIS A 87 ? 2.79537 -10.57878 32.03096 0.414 7.82756 N ? A ? 88 N 1
   ATOM 1408 CA B HIS A 87 ? 1.93209 -9.44388 31.72050 0.414 8.34499 C ? A ? 88 CA 1
   ATOM 1409 C B HIS A 87 ? 1.11373 -9.16470 32.96135 0.414 7.63075 C ? A ? 88 C 1
   ATOM 1410 O B HIS A 87 ? 0.41343 -10.07073 33.44520 0.414 8.07465 O ? A ? 88 O 1
   ATOM 1411 CB B HIS A 87 ? 0.98231 -9.73741 30.55519 0.414 8.70853 C ? A ? 88 CB 1
   ATOM 1412 CG B HIS A 87 ? 0.27600 -8.51005 30.08309 0.414 6.54049 C ? A ? 88 CG 1
   ATOM 1413 ND1 B HIS A 87 ? -0.65255 -7.82592 30.84912 0.414 8.04152 N ? A ? 88 ND1 1
   ATOM 1414 CD2 B HIS A 87 ? 0.48443 -7.74975 28.97978 0.414 10.65352 C ? A ? 88 CD2 1
   ATOM 1415 CE1 B HIS A 87 ? -1.04555 -6.74627 30.17843 0.414 11.69567 C ? A ? 88 CE1 1
   ATOM 1416 NE2 B HIS A 87 ? -0.37154 -6.67636 29.04255 0.414 10.66807 N ? A ? 88 NE2 1
   ATOM 1417 N C HIS A 87 ? 2.76889 -10.61346 32.18029 0.294 7.90707 N ? A ? 88 N 1
   ATOM 1418 CA C HIS A 87 ? 1.93648 -9.45822 31.87982 0.294 8.40026 C ? A ? 88 CA 1
   ATOM 1419 C C HIS A 87 ? 0.95592 -9.26771 33.02089 0.294 8.20171 C ? A ? 88 C 1
   ATOM 1420 O C HIS A 87 ? 0.16316 -10.16791 33.33637 0.294 8.23011 O ? A ? 88 O 1
   ATOM 1421 CB C HIS A 87 ? 1.23031 -9.58980 30.53196 0.294 8.28729 C ? A ? 88 CB 1
   ATOM 1422 CG C HIS A 87 ? 0.60630 -8.31061 30.07577 0.294 8.69593 C ? A ? 88 CG 1
   ATOM 1423 ND1 C HIS A 87 ? -0.41332 -7.68275 30.76314 0.294 9.87075 N ? A ? 88 ND1 1
   ATOM 1424 CD2 C HIS A 87 ? 0.91681 -7.49845 29.03919 0.294 10.86231 C ? A ? 88 CD2 1
   ATOM 1425 CE1 C HIS A 87 ? -0.72668 -6.55871 30.13520 0.294 9.49171 C ? A ? 88 CE1 1
   ATOM 1426 NE2 C HIS A 87 ? 0.05730 -6.42911 29.08021 0.294 9.19071 N ? A ? 88 NE2 1
   ATOM 1427 N A PRO A 88 ? 0.92316 -8.12313 33.68512 0.292 7.32348 N ? A ? 89 N 1
   ATOM 1428 CA A PRO A 88 ? 0.08194 -7.94910 34.87116 0.292 7.50019 C ? A ? 89 CA 1
   ATOM 1429 C A PRO A 88 ? -1.35582 -8.34004 34.60046 0.292 8.45989 C ? A ? 89 C 1
   ATOM 1430 O A PRO A 88 ? -1.90759 -8.06254 33.53427 0.292 9.35905 O ? A ? 89 O 1
   ATOM 1431 CB A PRO A 88 ? 0.19864 -6.44800 35.18502 0.292 9.06837 C ? A ? 89 CB 1
   ATOM 1432 CG A PRO A 88 ? 0.61479 -5.84384 33.84802 0.292 7.78493 C ? A ? 89 CG 1
   ATOM 1433 CD A PRO A 88 ? 1.55869 -6.86350 33.26984 0.292 9.71450 C ? A ? 89 CD 1
   ATOM 1434 N B PRO A 88 ? 1.16475 -7.95935 33.51580 0.414 9.21906 N ? A ? 89 N 1
   ATOM 1435 CA B PRO A 88 ? 0.43118 -7.68459 34.74714 0.414 9.26432 C ? A ? 89 CA 1
   ATOM 1436 C B PRO A 88 ? -1.01123 -8.05598 34.54345 0.414 6.74846 C ? A ? 89 C 1
   ATOM 1437 O B PRO A 88 ? -1.56751 -7.86184 33.45928 0.414 8.03052 O ? A ? 89 O 1
   ATOM 1438 CB B PRO A 88 ? 0.59591 -6.16760 34.92987 0.414 9.12126 C ? A ? 89 CB 1
   ATOM 1439 CG B PRO A 88 ? 1.06146 -5.67648 33.67521 0.414 10.25238 C ? A ? 89 CG 1
   ATOM 1440 CD B PRO A 88 ? 1.90740 -6.77502 33.09826 0.414 9.32906 C ? A ? 89 CD 1
   ATOM 1441 N C PRO A 88 ? 0.99998 -8.11872 33.68603 0.294 7.40891 N ? A ? 89 N 1
   ATOM 1442 CA C PRO A 88 ? 0.15695 -7.93349 34.86580 0.294 7.51069 C ? A ? 89 CA 1
   ATOM 1443 C C PRO A 88 ? -1.29380 -8.21262 34.55047 0.294 8.31226 C ? A ? 89 C 1
   ATOM 1444 O C PRO A 88 ? -1.78253 -7.98462 33.44322 0.294 9.27572 O ? A ? 89 O 1
   ATOM 1445 CB C PRO A 88 ? 0.36250 -6.45595 35.24104 0.294 9.24087 C ? A ? 89 CB 1
   ATOM 1446 CG C PRO A 88 ? 0.82030 -5.82304 33.95414 0.294 8.69162 C ? A ? 89 CG 1
   ATOM 1447 CD C PRO A 88 ? 1.69575 -6.87559 33.31411 0.294 9.36483 C ? A ? 89 CD 1
   ATOM 1448 N A GLY A 89 ? -1.94335 -9.00210 35.58933 0.292 10.00992 N ? A ? 90 N 1
   ATOM 1449 CA A GLY A 89 ? -3.31760 -9.41112 35.52295 0.292 11.43578 C ? A ? 90 CA 1
   ATOM 1450 C A GLY A 89 ? -3.64949 -10.48143 34.50654 0.292 12.49892 C ? A ? 90 C 1
   ATOM 1451 O A GLY A 89 ? -4.79907 -10.95748 34.50390 0.292 13.75462 O ? A ? 90 O 1
   ATOM 1452 N B GLY A 89 ? -1.58462 -8.66540 35.58385 0.414 7.78502 N ? A ? 90 N 1
   ATOM 1453 CA B GLY A 89 ? -2.98255 -9.05985 35.63054 0.414 9.94935 C ? A ? 90 CA 1
   ATOM 1454 C B GLY A 89 ? -3.37061 -10.28383 34.82877 0.414 8.25759 C ? A ? 90 C 1
   ATOM 1455 O B GLY A 89 ? -4.50907 -10.76394 34.97983 0.414 10.09235 O ? A ? 90 O 1
   ATOM 1456 N C GLY A 89 ? -1.96167 -8.74066 35.55198 0.294 9.03980 N ? A ? 90 N 1
   ATOM 1457 CA C GLY A 89 ? -3.35478 -9.05650 35.46472 0.294 8.73642 C ? A ? 90 CA 1
   ATOM 1458 C C GLY A 89 ? -3.70060 -10.30426 34.69189 0.294 10.19058 C ? A ? 90 C 1
   ATOM 1459 O C GLY A 89 ? -4.89689 -10.63633 34.61689 0.294 10.27318 O ? A ? 90 O 1
   ATOM 1460 N A ILE A 90 ? -2.70332 -10.88867 33.64304 0.292 10.32550 N ? A ? 91 N 1
   ATOM 1461 CA A ILE A 90 ? -3.04479 -11.74874 32.50727 0.292 10.65207 C ? A ? 91 CA 1
   ATOM 1462 C A ILE A 90 ? -2.11846 -12.95369 32.35263 0.292 9.41976 C ? A ? 91 C 1
   ATOM 1463 O A ILE A 90 ? -2.60195 -14.08331 32.17077 0.292 9.29587 O ? A ? 91 O 1
   ATOM 1464 CB A ILE A 90 ? -3.05803 -10.97406 31.17707 0.292 10.58056 C ? A ? 91 CB 1
   ATOM 1465 CG1 A ILE A 90 ? -3.83469 -9.67420 31.31089 0.292 10.71667 C ? A ? 91 CG1 1
   ATOM 1466 CG2 A ILE A 90 ? -3.64682 -11.84363 30.04336 0.292 11.35916 C ? A ? 91 CG2 1
   ATOM 1467 CD1 A ILE A 90 ? -5.30054 -9.88198 31.46599 0.292 12.30303 C ? A ? 91 CD1 1
   ATOM 1468 N B ILE A 90 ? -2.45596 -10.84876 34.01738 0.414 7.64725 N ? A ? 91 N 1
   ATOM 1469 CA B ILE A 90 ? -2.87406 -11.79464 32.98525 0.414 9.52704 C ? A ? 91 CA 1
   ATOM 1470 C B ILE A 90 ? -1.97418 -13.01879 32.84891 0.414 9.30315 C ? A ? 91 C 1
   ATOM 1471 O B ILE A 90 ? -2.48644 -14.14356 32.77996 0.414 9.96458 O ? A ? 91 O 1
   ATOM 1472 CB B ILE A 90 ? -3.07215 -11.11914 31.60712 0.414 8.23820 C ? A ? 91 CB 1
   ATOM 1473 CG1 B ILE A 90 ? -4.05661 -9.94516 31.71949 0.414 8.40149 C ? A ? 91 CG1 1
   ATOM 1474 CG2 B ILE A 90 ? -3.58642 -12.12259 30.57281 0.414 10.09122 C ? A ? 91 CG2 1
   ATOM 1475 CD1 B ILE A 90 ? -4.18482 -9.15470 30.36625 0.414 9.43192 C ? A ? 91 CD1 1
   ATOM 1476 N C ILE A 90 ? -2.72195 -11.02893 34.11692 0.294 8.16927 N ? A ? 91 N 1
   ATOM 1477 CA C ILE A 90 ? -3.08369 -12.02389 33.11458 0.294 7.96774 C ? A ? 91 CA 1
   ATOM 1478 C C ILE A 90 ? -2.09373 -13.17997 32.99961 0.294 8.93877 C ? A ? 91 C 1
   ATOM 1479 O C ILE A 90 ? -2.47315 -14.33111 33.18188 0.294 12.65655 O ? A ? 91 O 1
   ATOM 1480 CB C ILE A 90 ? -3.40794 -11.34548 31.75714 0.294 10.25420 C ? A ? 91 CB 1
   ATOM 1481 CG1 C ILE A 90 ? -4.03320 -12.32813 30.80195 0.294 10.50901 C ? A ? 91 CG1 1
   ATOM 1482 CG2 C ILE A 90 ? -2.21892 -10.66667 31.11840 0.294 11.98704 C ? A ? 91 CG2 1
   ATOM 1483 CD1 C ILE A 90 ? -4.61712 -11.64527 29.59127 0.294 15.39781 C ? A ? 91 CD1 1
   ATOM 1484 N A ILE A 91 ? -0.79820 -12.71642 32.42365 0.292 9.37484 N ? A ? 92 N 1
   ATOM 1485 CA A ILE A 91 ? 0.26974 -13.66988 32.04349 0.292 8.03298 C ? A ? 92 CA 1
   ATOM 1486 C A ILE A 91 ? 1.28794 -13.79028 33.17119 0.292 8.55092 C ? A ? 92 C 1
   ATOM 1487 O A ILE A 91 ? 1.86396 -12.76725 33.56207 0.292 7.42003 O ? A ? 92 O 1
   ATOM 1488 CB A ILE A 91 ? 1.00901 -13.22406 30.75996 0.292 7.39693 C ? A ? 92 CB 1
   ATOM 1489 CG1 A ILE A 91 ? 0.00657 -13.02839 29.64370 0.292 6.24160 C ? A ? 92 CG1 1
   ATOM 1490 CG2 A ILE A 91 ? 2.07031 -14.26188 30.32745 0.292 7.46065 C ? A ? 92 CG2 1
   ATOM 1491 CD1 A ILE A 91 ? -0.73281 -14.30082 29.18161 0.292 7.65415 C ? A ? 92 CD1 1
   ATOM 1492 N B ILE A 91 ? -0.65596 -12.82154 32.74690 0.414 7.71819 N ? A ? 92 N 1
   ATOM 1493 CA B ILE A 91 ? 0.25489 -13.89436 32.32144 0.414 8.02222 C ? A ? 92 CA 1
   ATOM 1494 C B ILE A 91 ? 1.40183 -14.01047 33.30907 0.414 7.84597 C ? A ? 92 C 1
   ATOM 1495 O B ILE A 91 ? 2.09273 -13.01187 33.58715 0.414 6.97859 O ? A ? 92 O 1
   ATOM 1496 CB B ILE A 91 ? 0.81113 -13.61819 30.92825 0.414 7.31185 C ? A ? 92 CB 1
   ATOM 1497 CG1 B ILE A 91 ? -0.30863 -13.71492 29.88370 0.414 10.72202 C ? A ? 92 CG1 1
   ATOM 1498 CG2 B ILE A 91 ? 1.95004 -14.57753 30.57957 0.414 8.40092 C ? A ? 92 CG2 1
   ATOM 1499 CD1 B ILE A 91 ? 0.06655 -13.17594 28.53663 0.414 10.06889 C ? A ? 92 CD1 1
   ATOM 1500 N C ILE A 91 ? -0.82601 -12.91772 32.71392 0.294 8.28621 N ? A ? 92 N 1
   ATOM 1501 CA C ILE A 91 ? 0.10964 -13.95986 32.30627 0.294 8.18976 C ? A ? 92 CA 1
   ATOM 1502 C C ILE A 91 ? 1.23657 -13.99313 33.32095 0.294 7.61450 C ? A ? 92 C 1
   ATOM 1503 O C ILE A 91 ? 1.80173 -12.94498 33.63216 0.294 7.30643 O ? A ? 92 O 1
   ATOM 1504 CB C ILE A 91 ? 0.66873 -13.70412 30.89886 0.294 7.48754 C ? A ? 92 CB 1
   ATOM 1505 CG1 C ILE A 91 ? -0.46016 -13.83205 29.87917 0.294 10.21866 C ? A ? 92 CG1 1
   ATOM 1506 CG2 C ILE A 91 ? 1.80340 -14.66951 30.56105 0.294 8.15483 C ? A ? 92 CG2 1
   ATOM 1507 CD1 C ILE A 91 ? -0.07370 -13.44879 28.52256 0.294 8.84292 C ? A ? 92 CD1 1
   ATOM 1508 N A PRO A 92 ? 1.61733 -14.98658 33.66028 0.292 9.12347 N ? A ? 93 N 1
   ATOM 1509 CA A PRO A 92 ? 2.65047 -15.09748 34.72970 0.292 9.31067 C ? A ? 93 CA 1
   ATOM 1510 C A PRO A 92 ? 4.06585 -14.93877 34.18478 0.292 7.30368 C ? A ? 93 C 1
   ATOM 1511 O A PRO A 92 ? 4.30064 -15.00524 32.95786 0.292 7.36614 O ? A ? 93 O 1
   ATOM 1512 CB A PRO A 92 ? 2.41712 -16.50647 35.30486 0.292 10.96422 C ? A ? 93 CB 1
   ATOM 1513 CG A PRO A 92 ? 1.89571 -17.27563 34.12588 0.292 10.85096 C ? A ? 93 CG 1
   ATOM 1514 CD A PRO A 92 ? 1.05307 -16.30491 33.30705 0.292 9.76203 C ? A ? 93 CD 1
   ATOM 1515 N B PRO A 92 ? 1.65878 -15.20999 33.81197 0.414 8.37093 N ? A ? 93 N 1
   ATOM 1516 CA B PRO A 92 ? 2.74781 -15.42577 34.75882 0.414 7.90885 C ? A ? 93 CA 1
   ATOM 1517 C B PRO A 92 ? 4.09998 -15.03675 34.18545 0.414 7.38305 C ? A ? 93 C 1
   ATOM 1518 O B PRO A 92 ? 4.31871 -15.02001 32.94936 0.414 7.32913 O ? A ? 93 O 1
   ATOM 1519 CB B PRO A 92 ? 2.66192 -16.93472 35.01794 0.414 10.57218 C ? A ? 93 CB 1
   ATOM 1520 CG B PRO A 92 ? 1.18506 -17.28084 34.70752 0.414 10.64460 C ? A ? 93 CG 1
   ATOM 1521 CD B PRO A 92 ? 0.77270 -16.37454 33.65194 0.414 9.09459 C ? A ? 93 CD 1
   ATOM 1522 N C PRO A 92 ? 1.62744 -15.15577 33.82643 0.294 8.33041 N ? A ? 93 N 1
   ATOM 1523 CA C PRO A 92 ? 2.67971 -15.19612 34.83547 0.294 8.82963 C ? A ? 93 CA 1
   ATOM 1524 C C PRO A 92 ? 4.05932 -15.02298 34.22159 0.294 7.55205 C ? A ? 93 C 1
   ATOM 1525 O C PRO A 92 ? 4.25835 -15.17621 32.99535 0.294 7.50614 O ? A ? 93 O 1
   ATOM 1526 CB C PRO A 92 ? 2.51695 -16.59322 35.46185 0.294 9.99440 C ? A ? 93 CB 1
   ATOM 1527 CG C PRO A 92 ? 1.99513 -17.41394 34.32815 0.294 10.20451 C ? A ? 93 CG 1
   ATOM 1528 CD C PRO A 92 ? 1.06660 -16.48924 33.56951 0.294 8.94665 C ? A ? 93 CD 1
   ATOM 1529 N . PRO A 93 ? 5.04576 -14.73431 35.07796 1.000 8.26362 N ? A ? 94 N 1
   ATOM 1530 CA . PRO A 93 ? 6.43214 -14.72921 34.65220 1.000 7.71704 C ? A ? 94 CA 1
   ATOM 1531 C . PRO A 93 ? 6.80993 -16.04133 33.94269 1.000 7.05647 C ? A ? 94 C 1
   ATOM 1532 O . PRO A 93 ? 6.33602 -17.11505 34.29795 1.000 7.81351 O ? A ? 94 O 1
   ATOM 1533 CB . PRO A 93 ? 7.19156 -14.56374 35.96558 1.000 9.25410 C ? A ? 94 CB 1
   ATOM 1534 CG . PRO A 93 ? 6.23068 -13.83054 36.87087 1.000 11.11640 C ? A ? 94 CG 1
   ATOM 1535 CD . PRO A 93 ? 4.92251 -14.48622 36.53204 1.000 8.39044 C ? A ? 94 CD 1
   ATOM 1536 N . HIS A 94 ? 7.72608 -15.92129 32.95208 1.000 7.44522 N ? A ? 95 N 1
   ATOM 1537 CA . HIS A 94 ? 8.36730 -17.06435 32.27751 1.000 8.02230 C ? A ? 95 CA 1
   ATOM 1538 C . HIS A 94 ? 7.32467 -18.01069 31.68660 1.000 6.74897 C ? A ? 95 C 1
   ATOM 1539 O . HIS A 94 ? 7.47027 -19.21518 31.79458 1.000 9.27036 O ? A ? 95 O 1
   ATOM 1540 CB A HIS A 94 ? 9.22907 -17.90755 33.23489 0.274 8.89004 C ? A ? 95 CB 1
   ATOM 1541 CG A HIS A 94 ? 10.02898 -17.13017 34.22078 0.274 9.59204 C ? A ? 95 CG 1
   ATOM 1542 ND1 A HIS A 94 ? 11.15576 -16.42665 33.85787 0.274 13.52717 N ? A ? 95 ND1 1
   ATOM 1543 CD2 A HIS A 94 ? 9.90193 -16.98582 35.55568 0.274 9.52878 C ? A ? 95 CD2 1
   ATOM 1544 CE1 A HIS A 94 ? 11.68302 -15.86988 34.92980 0.274 13.46464 C ? A ? 95 CE1 1
   ATOM 1545 NE2 A HIS A 94 ? 10.93964 -16.19403 35.96849 0.274 12.86677 N ? A ? 95 NE2 1
   ATOM 1546 CB B HIS A 94 ? 9.29380 -17.84220 33.23089 0.416 8.96262 C ? A ? 95 CB 1
   ATOM 1547 CG B HIS A 94 ? 10.36323 -17.00855 33.86785 0.416 13.09773 C ? A ? 95 CG 1
   ATOM 1548 ND1 B HIS A 94 ? 11.60827 -16.83587 33.31293 0.416 14.24511 N ? A ? 95 ND1 1
   ATOM 1549 CD2 B HIS A 94 ? 10.35920 -16.28522 35.00993 0.416 12.37638 C ? A ? 95 CD2 1
   ATOM 1550 CE1 B HIS A 94 ? 12.32002 -16.03748 34.08417 0.416 8.23802 C ? A ? 95 CE1 1
   ATOM 1551 NE2 B HIS A 94 ? 11.59669 -15.71718 35.13744 0.416 14.08640 N ? A ? 95 NE2 1
   ATOM 1552 CB C HIS A 94 ? 9.53772 -17.64450 33.09764 0.310 7.65834 C ? A ? 95 CB 1
   ATOM 1553 CG C HIS A 94 ? 9.15499 -18.09528 34.47484 0.310 5.96104 C ? A ? 95 CG 1
   ATOM 1554 ND1 C HIS A 94 ? 8.48608 -19.27881 34.70471 0.310 7.66940 N ? A ? 95 ND1 1
   ATOM 1555 CD2 C HIS A 94 ? 9.33241 -17.52993 35.69539 0.310 5.13480 C ? A ? 95 CD2 1
   ATOM 1556 CE1 C HIS A 94 ? 8.28050 -19.42301 36.00579 0.310 8.37671 C ? A ? 95 CE1 1
   ATOM 1557 NE2 C HIS A 94 ? 8.77098 -18.36989 36.62315 0.310 9.62767 N ? A ? 95 NE2 1
   ATOM 1558 N A ALA A 95 ? 6.33420 -17.46071 30.99358 0.195 6.88979 N ? A ? 96 N 1
   ATOM 1559 CA A ALA A 95 ? 5.23262 -18.25618 30.44244 0.195 6.38848 C ? A ? 96 CA 1
   ATOM 1560 C A ALA A 95 ? 5.39785 -18.43698 28.93209 0.195 6.42390 C ? A ? 96 C 1
   ATOM 1561 O A ALA A 95 ? 5.31409 -17.46444 28.17133 0.195 6.21172 O ? A ? 96 O 1
   ATOM 1562 CB A ALA A 95 ? 3.89671 -17.58453 30.73725 0.195 7.31391 C ? A ? 96 CB 1
   ATOM 1563 N B ALA A 95 ? 6.24742 -17.45557 31.07881 0.345 6.68928 N ? A ? 96 N 1
   ATOM 1564 CA B ALA A 95 ? 5.10429 -18.25211 30.57037 0.345 5.40977 C ? A ? 96 CA 1
   ATOM 1565 C B ALA A 95 ? 5.17970 -18.51218 29.06916 0.345 6.12557 C ? A ? 96 C 1
   ATOM 1566 O B ALA A 95 ? 5.15332 -17.58612 28.24082 0.345 6.31833 O ? A ? 96 O 1
   ATOM 1567 CB B ALA A 95 ? 3.76859 -17.59542 30.87735 0.345 7.62279 C ? A ? 96 CB 1
   ATOM 1568 N D ALA A 95 ? 6.39787 -17.44180 30.95752 0.460 6.86703 N ? A ? 96 N 1
   ATOM 1569 CA D ALA A 95 ? 5.30373 -18.21563 30.38355 0.460 6.81165 C ? A ? 96 CA 1
   ATOM 1570 C D ALA A 95 ? 5.53898 -18.45651 28.89568 0.460 5.87255 C ? A ? 96 C 1
   ATOM 1571 O D ALA A 95 ? 5.66855 -17.51596 28.10731 0.460 6.91055 O ? A ? 96 O 1
   ATOM 1572 CB D ALA A 95 ? 3.99157 -17.48804 30.59304 0.460 7.37711 C ? A ? 96 CB 1
   ATOM 1573 N A THR A 96 ? 5.59446 -19.68789 28.49545 0.195 5.66250 N ? A ? 97 N 1
   ATOM 1574 CA A THR A 96 ? 5.42285 -20.04703 27.08659 0.195 6.43034 C ? A ? 97 CA 1
   ATOM 1575 C A THR A 96 ? 3.94585 -19.98972 26.71873 0.195 6.44606 C ? A ? 97 C 1
   ATOM 1576 O A THR A 96 ? 3.09739 -20.60218 27.38279 0.195 7.68031 O ? A ? 97 O 1
   ATOM 1577 CB A THR A 96 ? 5.95927 -21.46265 26.84365 0.195 7.62275 C ? A ? 97 CB 1
   ATOM 1578 OG1 A THR A 96 ? 7.37273 -21.39491 26.69894 0.195 8.00241 O ? A ? 97 OG1 1
   ATOM 1579 CG2 A THR A 96 ? 5.39262 -22.10501 25.59443 0.195 7.86672 C ? A ? 97 CG2 1
   ATOM 1580 N B THR A 96 ? 5.18937 -19.78390 28.70689 0.345 5.08537 N ? A ? 97 N 1
   ATOM 1581 CA B THR A 96 ? 5.06648 -20.13687 27.30814 0.345 5.58046 C ? A ? 97 CA 1
   ATOM 1582 C B THR A 96 ? 3.65046 -19.76433 26.89541 0.345 6.48156 C ? A ? 97 C 1
   ATOM 1583 O B THR A 96 ? 2.71745 -19.94255 27.68055 0.345 6.59934 O ? A ? 97 O 1
   ATOM 1584 CB B THR A 96 ? 5.42130 -21.64081 27.12646 0.345 7.66149 C ? A ? 97 CB 1
   ATOM 1585 OG1 B THR A 96 ? 6.73877 -21.92552 27.63698 0.345 9.71738 O ? A ? 97 OG1 1
   ATOM 1586 CG2 B THR A 96 ? 5.36835 -22.06815 25.61070 0.345 8.11184 C ? A ? 97 CG2 1
   ATOM 1587 N D THR A 96 ? 5.52578 -19.73165 28.51590 0.460 5.91799 N ? A ? 97 N 1
   ATOM 1588 CA D THR A 96 ? 5.23399 -20.11030 27.14286 0.460 7.11512 C ? A ? 97 CA 1
   ATOM 1589 C D THR A 96 ? 3.75205 -19.90843 26.83844 0.460 6.71533 C ? A ? 97 C 1
   ATOM 1590 O D THR A 96 ? 2.87013 -20.33175 27.59626 0.460 6.39771 O ? A ? 97 O 1
   ATOM 1591 CB D THR A 96 ? 5.59550 -21.57449 26.92051 0.460 7.38423 C ? A ? 97 CB 1
   ATOM 1592 OG1 D THR A 96 ? 7.01902 -21.70175 26.80409 0.460 6.91557 O ? A ? 97 OG1 1
   ATOM 1593 CG2 D THR A 96 ? 4.82923 -22.12098 25.69263 0.460 6.66739 C ? A ? 97 CG2 1
   ATOM 1594 N A LEU A 97 ? 3.62420 -19.25511 25.65746 0.195 5.57642 N ? A ? 98 N 1
   ATOM 1595 CA A LEU A 97 ? 2.22215 -19.03946 25.32543 0.195 6.06338 C ? A ? 98 CA 1
   ATOM 1596 C A LEU A 97 ? 1.79598 -19.91193 24.15833 0.195 5.64368 C ? A ? 98 C 1
   ATOM 1597 O A LEU A 97 ? 2.61691 -20.55172 23.49864 0.195 6.27504 O ? A ? 98 O 1
   ATOM 1598 CB A LEU A 97 ? 1.95273 -17.57066 25.01191 0.195 6.26959 C ? A ? 98 CB 1
   ATOM 1599 CG A LEU A 97 ? 2.34530 -16.62179 26.12934 0.195 6.40679 C ? A ? 98 CG 1
   ATOM 1600 CD1 A LEU A 97 ? 1.83516 -15.23246 25.79030 0.195 6.24147 C ? A ? 98 CD1 1
   ATOM 1601 CD2 A LEU A 97 ? 1.90051 -17.09480 27.52287 0.195 6.94005 C ? A ? 98 CD2 1
   ATOM 1602 N B LEU A 97 ? 3.48244 -19.17817 25.70847 0.345 5.95540 N ? A ? 98 N 1
   ATOM 1603 CA B LEU A 97 ? 2.16295 -18.74571 25.24717 0.345 6.11220 C ? A ? 98 CA 1
   ATOM 1604 C B LEU A 97 ? 1.77196 -19.58961 24.04307 0.345 6.19628 C ? A ? 98 C 1
   ATOM 1605 O B LEU A 97 ? 2.57912 -19.75683 23.11498 0.345 5.89799 O ? A ? 98 O 1
   ATOM 1606 CB B LEU A 97 ? 2.14962 -17.28060 24.81824 0.345 5.37537 C ? A ? 98 CB 1
   ATOM 1607 CG B LEU A 97 ? 2.27218 -16.36615 26.04160 0.345 6.74958 C ? A ? 98 CG 1
   ATOM 1608 CD1 B LEU A 97 ? 1.86918 -14.97086 25.59736 0.345 6.33728 C ? A ? 98 CD1 1
   ATOM 1609 CD2 B LEU A 97 ? 1.52895 -16.81808 27.36632 0.345 6.89557 C ? A ? 98 CD2 1
   ATOM 1610 N D LEU A 97 ? 3.45961 -19.27429 25.71724 0.460 5.77671 N ? A ? 98 N 1
   ATOM 1611 CA D LEU A 97 ? 2.09047 -18.99175 25.30156 0.460 6.25058 C ? A ? 98 CA 1
   ATOM 1612 C D LEU A 97 ? 1.78367 -19.84198 24.07576 0.460 5.38964 C ? A ? 98 C 1
   ATOM 1613 O D LEU A 97 ? 2.66858 -20.13973 23.25781 0.460 5.51809 O ? A ? 98 O 1
   ATOM 1614 CB D LEU A 97 ? 1.89231 -17.48454 24.96664 0.460 6.31492 C ? A ? 98 CB 1
   ATOM 1615 CG D LEU A 97 ? 2.54111 -16.46833 25.92561 0.460 6.77091 C ? A ? 98 CG 1
   ATOM 1616 CD1 D LEU A 97 ? 2.30670 -15.05074 25.42648 0.460 7.06858 C ? A ? 98 CD1 1
   ATOM 1617 CD2 D LEU A 97 ? 1.94407 -16.63053 27.27147 0.460 6.61412 C ? A ? 98 CD2 1
   ATOM 1618 N A VAL A 98 ? 0.48404 -19.92840 23.93513 0.195 5.56036 N ? A ? 99 N 1
   ATOM 1619 CA A VAL A 98 ? -0.11628 -20.66282 22.82651 0.195 5.43895 C ? A ? 99 CA 1
   ATOM 1620 C A VAL A 98 ? -1.16087 -19.75965 22.19976 0.195 5.45188 C ? A ? 99 C 1
   ATOM 1621 O A VAL A 98 ? -2.13644 -19.37255 22.86237 0.195 5.64365 O ? A ? 99 O 1
   ATOM 1622 CB A VAL A 98 ? -0.74148 -21.99451 23.29930 0.195 7.59118 C ? A ? 99 CB 1
   ATOM 1623 CG1 A VAL A 98 ? -1.69114 -22.56716 22.26762 0.195 8.67915 C ? A ? 99 CG1 1
   ATOM 1624 CG2 A VAL A 98 ? 0.34435 -23.02401 23.70126 0.195 8.88710 C ? A ? 99 CG2 1
   ATOM 1625 N B VAL A 98 ? 0.54312 -20.13469 24.06229 0.345 5.81522 N ? A ? 99 N 1
   ATOM 1626 CA B VAL A 98 ? -0.04452 -20.85891 22.92547 0.345 6.71068 C ? A ? 99 CA 1
   ATOM 1627 C B VAL A 98 ? -1.12756 -19.97606 22.31840 0.345 5.80857 C ? A ? 99 C 1
   ATOM 1628 O B VAL A 98 ? -1.94772 -19.38810 23.02586 0.345 6.00807 O ? A ? 99 O 1
   ATOM 1629 CB B VAL A 98 ? -0.61162 -22.23501 23.34869 0.345 6.90555 C ? A ? 99 CB 1
   ATOM 1630 CG1 B VAL A 98 ? -1.27088 -22.95645 22.16971 0.345 8.27170 C ? A ? 99 CG1 1
   ATOM 1631 CG2 B VAL A 98 ? 0.46476 -23.09881 24.03642 0.345 8.30086 C ? A ? 99 CG2 1
   ATOM 1632 N D VAL A 98 ? 0.52582 -20.23182 23.97189 0.460 6.03835 N ? A ? 99 N 1
   ATOM 1633 CA D VAL A 98 ? 0.06320 -20.85296 22.74782 0.460 5.66796 C ? A ? 99 CA 1
   ATOM 1634 C D VAL A 98 ? -1.10234 -20.02931 22.24127 0.460 5.86213 C ? A ? 99 C 1
   ATOM 1635 O D VAL A 98 ? -2.12465 -19.88739 22.95511 0.460 5.48660 O ? A ? 99 O 1
   ATOM 1636 CB D VAL A 98 ? -0.43126 -22.27454 23.04090 0.460 7.38453 C ? A ? 99 CB 1
   ATOM 1637 CG1 D VAL A 98 ? -1.03552 -22.88069 21.75848 0.460 7.29462 C ? A ? 99 CG1 1
   ATOM 1638 CG2 D VAL A 98 ? 0.68145 -23.14865 23.58685 0.460 7.58761 C ? A ? 99 CG2 1
   ATOM 1639 N A PHE A 99 ? -0.95342 -19.42744 20.91722 0.195 5.16276 N ? A ? 100 N 1
   ATOM 1640 CA A PHE A 99 ? -1.91646 -18.63625 20.16513 0.195 4.20932 C ? A ? 100 CA 1
   ATOM 1641 C A PHE A 99 ? -2.46292 -19.46579 19.02471 0.195 5.29811 C ? A ? 100 C 1
   ATOM 1642 O A PHE A 99 ? -1.73461 -19.82532 18.10168 0.195 6.25984 O ? A ? 100 O 1
   ATOM 1643 CB A PHE A 99 ? -1.31690 -17.34203 19.64058 0.195 5.67715 C ? A ? 100 CB 1
   ATOM 1644 CG A PHE A 99 ? -1.34450 -16.23621 20.66596 0.195 6.06163 C ? A ? 100 CG 1
   ATOM 1645 CD1 A PHE A 99 ? -2.49275 -15.45323 20.85401 0.195 6.73317 C ? A ? 100 CD1 1
   ATOM 1646 CD2 A PHE A 99 ? -0.22364 -15.99102 21.45369 0.195 7.23333 C ? A ? 100 CD2 1
   ATOM 1647 CE1 A PHE A 99 ? -2.48458 -14.43839 21.81638 0.195 7.19398 C ? A ? 100 CE1 1
   ATOM 1648 CE2 A PHE A 99 ? -0.22996 -14.98637 22.41773 0.195 5.05900 C ? A ? 100 CE2 1
   ATOM 1649 CZ A PHE A 99 ? -1.35104 -14.20715 22.56533 0.195 8.54672 C ? A ? 100 CZ 1
   ATOM 1650 N B PHE A 99 ? -1.14355 -19.88165 21.01839 0.345 4.71093 N ? A ? 100 N 1
   ATOM 1651 CA B PHE A 99 ? -2.17284 -19.12264 20.35153 0.345 5.81194 C ? A ? 100 CA 1
   ATOM 1652 C B PHE A 99 ? -2.74290 -19.98610 19.26662 0.345 5.12266 C ? A ? 100 C 1
   ATOM 1653 O B PHE A 99 ? -1.98506 -20.58189 18.49661 0.345 6.81635 O ? A ? 100 O 1
   ATOM 1654 CB B PHE A 99 ? -1.68102 -17.81996 19.71343 0.345 5.06741 C ? A ? 100 CB 1
   ATOM 1655 CG B PHE A 99 ? -1.40979 -16.70598 20.72253 0.345 5.53243 C ? A ? 100 CG 1
   ATOM 1656 CD1 B PHE A 99 ? -0.16754 -16.56589 21.35054 0.345 6.60385 C ? A ? 100 CD1 1
   ATOM 1657 CD2 B PHE A 99 ? -2.38579 -15.76850 21.02484 0.345 6.09316 C ? A ? 100 CD2 1
   ATOM 1658 CE1 B PHE A 99 ? 0.06687 -15.51178 22.25445 0.345 6.62396 C ? A ? 100 CE1 1
   ATOM 1659 CE2 B PHE A 99 ? -2.13498 -14.69367 21.92304 0.345 6.48620 C ? A ? 100 CE2 1
   ATOM 1660 CZ B PHE A 99 ? -0.92310 -14.56903 22.50012 0.345 6.32837 C ? A ? 100 CZ 1
   ATOM 1661 N D PHE A 99 ? -0.98466 -19.54972 20.97665 0.460 5.40700 N ? A ? 100 N 1
   ATOM 1662 CA D PHE A 99 ? -2.09340 -18.87801 20.29951 0.460 5.72546 C ? A ? 100 CA 1
   ATOM 1663 C D PHE A 99 ? -2.62690 -19.73537 19.17129 0.460 5.36873 C ? A ? 100 C 1
   ATOM 1664 O D PHE A 99 ? -1.86685 -20.12519 18.28583 0.460 4.89215 O ? A ? 100 O 1
   ATOM 1665 CB D PHE A 99 ? -1.72272 -17.52385 19.71248 0.460 5.51892 C ? A ? 100 CB 1
   ATOM 1666 CG D PHE A 99 ? -1.35678 -16.47581 20.77618 0.460 5.56144 C ? A ? 100 CG 1
   ATOM 1667 CD1 D PHE A 99 ? -0.12540 -16.46098 21.41999 0.460 6.17036 C ? A ? 100 CD1 1
   ATOM 1668 CD2 D PHE A 99 ? -2.25773 -15.47936 21.10014 0.460 6.19827 C ? A ? 100 CD2 1
   ATOM 1669 CE1 D PHE A 99 ? 0.18647 -15.43885 22.33177 0.460 6.48296 C ? A ? 100 CE1 1
   ATOM 1670 CE2 D PHE A 99 ? -1.95256 -14.46966 21.99716 0.460 5.65034 C ? A ? 100 CE2 1
   ATOM 1671 CZ D PHE A 99 ? -0.73668 -14.45867 22.62355 0.460 7.34559 C ? A ? 100 CZ 1
   ATOM 1672 N A ASP A 100 ? -3.74920 -19.75996 19.08617 0.195 3.82927 N ? A ? 101 N 1
   ATOM 1673 CA A ASP A 100 ? -4.46367 -20.43068 17.99423 0.195 5.12170 C ? A ? 101 CA 1
   ATOM 1674 C A ASP A 100 ? -4.88850 -19.32054 17.03945 0.195 5.37510 C ? A ? 101 C 1
   ATOM 1675 O A ASP A 100 ? -5.84350 -18.57480 17.32562 0.195 7.05070 O ? A ? 101 O 1
   ATOM 1676 CB A ASP A 100 ? -5.65800 -21.23615 18.52996 0.195 7.73822 C ? A ? 101 CB 1
   ATOM 1677 CG A ASP A 100 ? -6.35568 -22.10587 17.47752 0.195 8.81832 C ? A ? 101 CG 1
   ATOM 1678 OD1 A ASP A 100 ? -6.71587 -21.58056 16.41035 0.195 8.16507 O ? A ? 101 OD1 1
   ATOM 1679 OD2 A ASP A 100 ? -6.57444 -23.30676 17.75005 0.195 14.48812 O ? A ? 101 OD2 1
   ATOM 1680 N B ASP A 100 ? -4.05616 -19.98172 19.16972 0.345 6.01022 N ? A ? 101 N 1
   ATOM 1681 CA B ASP A 100 ? -4.75648 -20.66474 18.09864 0.345 5.93013 C ? A ? 101 CA 1
   ATOM 1682 C B ASP A 100 ? -5.16713 -19.55853 17.15205 0.345 5.53342 C ? A ? 101 C 1
   ATOM 1683 O B ASP A 100 ? -6.10040 -18.80032 17.47436 0.345 5.09836 O ? A ? 101 O 1
   ATOM 1684 CB B ASP A 100 ? -5.97446 -21.33232 18.69279 0.345 7.87209 C ? A ? 101 CB 1
   ATOM 1685 CG B ASP A 100 ? -6.81996 -21.99266 17.68805 0.345 8.09328 C ? A ? 101 CG 1
   ATOM 1686 OD1 B ASP A 100 ? -6.44953 -22.06547 16.49959 0.345 6.65939 O ? A ? 101 OD1 1
   ATOM 1687 OD2 B ASP A 100 ? -7.87016 -22.49717 18.11673 0.345 9.22020 O ? A ? 101 OD2 1
   ATOM 1688 N D ASP A 100 ? -3.91298 -20.05393 19.21754 0.460 5.96341 N ? A ? 101 N 1
   ATOM 1689 CA D ASP A 100 ? -4.65205 -20.56251 18.07013 0.460 5.72943 C ? A ? 101 CA 1
   ATOM 1690 C D ASP A 100 ? -5.01300 -19.37969 17.17229 0.460 6.41535 C ? A ? 101 C 1
   ATOM 1691 O D ASP A 100 ? -5.71259 -18.45172 17.61861 0.460 6.16035 O ? A ? 101 O 1
   ATOM 1692 CB D ASP A 100 ? -5.88644 -21.26894 18.64139 0.460 8.09661 C ? A ? 101 CB 1
   ATOM 1693 CG D ASP A 100 ? -6.76509 -21.92835 17.63253 0.460 7.80005 C ? A ? 101 CG 1
   ATOM 1694 OD1 D ASP A 100 ? -6.83130 -21.51765 16.45460 0.460 8.25270 O ? A ? 101 OD1 1
   ATOM 1695 OD2 D ASP A 100 ? -7.40691 -22.94000 18.06693 0.460 9.19676 O ? A ? 101 OD2 1
   ATOM 1696 N A VAL A 101 ? -4.14669 -19.16837 15.93351 0.195 4.28960 N ? A ? 102 N 1
   ATOM 1697 CA A VAL A 101 ? -4.25884 -18.02008 15.04159 0.195 4.92726 C ? A ? 102 CA 1
   ATOM 1698 C A VAL A 101 ? -4.81546 -18.49020 13.70632 0.195 5.68375 C ? A ? 102 C 1
   ATOM 1699 O A VAL A 101 ? -4.30959 -19.46596 13.12324 0.195 3.30719 O ? A ? 102 O 1
   ATOM 1700 CB A VAL A 101 ? -2.90248 -17.32782 14.83573 0.195 5.20870 C ? A ? 102 CB 1
   ATOM 1701 CG1 A VAL A 101 ? -3.04350 -16.21219 13.86099 0.195 7.03421 C ? A ? 102 CG1 1
   ATOM 1702 CG2 A VAL A 101 ? -2.37197 -16.78659 16.12337 0.195 6.31221 C ? A ? 102 CG2 1
   ATOM 1703 N B VAL A 101 ? -4.43131 -19.42359 16.02368 0.345 5.27662 N ? A ? 102 N 1
   ATOM 1704 CA B VAL A 101 ? -4.49963 -18.28632 15.11549 0.345 5.87457 C ? A ? 102 CA 1
   ATOM 1705 C B VAL A 101 ? -5.09635 -18.76633 13.80281 0.345 4.92145 C ? A ? 102 C 1
   ATOM 1706 O B VAL A 101 ? -4.72354 -19.83279 13.29680 0.345 5.18630 O ? A ? 102 O 1
   ATOM 1707 CB B VAL A 101 ? -3.09773 -17.67181 14.84437 0.345 5.82079 C ? A ? 102 CB 1
   ATOM 1708 CG1 B VAL A 101 ? -3.21446 -16.50166 13.84104 0.345 6.92573 C ? A ? 102 CG1 1
   ATOM 1709 CG2 B VAL A 101 ? -2.39844 -17.21416 16.11240 0.345 6.33035 C ? A ? 102 CG2 1
   ATOM 1710 N D VAL A 101 ? -4.49441 -19.34138 15.94342 0.460 4.92654 N ? A ? 102 N 1
   ATOM 1711 CA D VAL A 101 ? -4.65638 -18.17172 15.10185 0.460 5.73217 C ? A ? 102 CA 1
   ATOM 1712 C D VAL A 101 ? -5.20527 -18.62574 13.77467 0.460 5.39347 C ? A ? 102 C 1
   ATOM 1713 O D VAL A 101 ? -4.66449 -19.56093 13.16163 0.460 6.10452 O ? A ? 102 O 1
   ATOM 1714 CB D VAL A 101 ? -3.30943 -17.44586 14.86351 0.460 6.21268 C ? A ? 102 CB 1
   ATOM 1715 CG1 D VAL A 101 ? -3.46144 -16.19865 13.94907 0.460 6.65296 C ? A ? 102 CG1 1
   ATOM 1716 CG2 D VAL A 101 ? -2.66736 -17.09483 16.18435 0.460 7.01513 C ? A ? 102 CG2 1
   ATOM 1717 N A GLU A 102 ? -5.84210 -17.78121 13.21250 0.195 5.21405 N ? A ? 103 N 1
   ATOM 1718 CA A GLU A 102 ? -6.35324 -17.93896 11.85323 0.195 6.45866 C ? A ? 103 CA 1
   ATOM 1719 C A GLU A 102 ? -5.95659 -16.70270 11.04512 0.195 5.51329 C ? A ? 103 C 1
   ATOM 1720 O A GLU A 102 ? -6.25691 -15.57890 11.45855 0.195 4.04307 O ? A ? 103 O 1
   ATOM 1721 CB A GLU A 102 ? -7.87879 -18.10662 11.84983 0.195 7.40191 C ? A ? 103 CB 1
   ATOM 1722 CG A GLU A 102 ? -8.37012 -19.37972 12.53708 0.195 10.03210 C ? A ? 103 CG 1
   ATOM 1723 CD A GLU A 102 ? -9.87878 -19.46349 12.60655 0.195 15.15399 C ? A ? 103 CD 1
   ATOM 1724 OE1 A GLU A 102 ? -10.53825 -18.46200 12.92834 0.195 13.98618 O ? A ? 103 OE1 1
   ATOM 1725 OE2 A GLU A 102 ? -10.41053 -20.53010 12.27344 0.195 15.49836 O ? A ? 103 OE2 1
   ATOM 1726 N B GLU A 102 ? -5.98648 -17.96872 13.21636 0.345 5.23820 N ? A ? 103 N 1
   ATOM 1727 CA B GLU A 102 ? -6.47394 -18.20898 11.86357 0.345 5.83356 C ? A ? 103 CA 1
   ATOM 1728 C B GLU A 102 ? -6.20392 -16.93380 11.07188 0.345 6.22917 C ? A ? 103 C 1
   ATOM 1729 O B GLU A 102 ? -6.71488 -15.85937 11.43508 0.345 6.38333 O ? A ? 103 O 1
   ATOM 1730 CB B GLU A 102 ? -7.97841 -18.49222 11.88808 0.345 7.56291 C ? A ? 103 CB 1
   ATOM 1731 CG B GLU A 102 ? -8.60799 -18.68047 10.55870 0.345 11.03536 C ? A ? 103 CG 1
   ATOM 1732 CD B GLU A 102 ? -10.09218 -18.99555 10.56918 0.345 13.95968 C ? A ? 103 CD 1
   ATOM 1733 OE1 B GLU A 102 ? -10.78193 -18.46314 11.44283 0.345 15.29698 O ? A ? 103 OE1 1
   ATOM 1734 OE2 B GLU A 102 ? -10.55136 -19.68569 9.61622 0.345 14.63899 O ? A ? 103 OE2 1
   ATOM 1735 N D GLU A 102 ? -6.22506 -17.92100 13.29773 0.460 5.33041 N ? A ? 103 N 1
   ATOM 1736 CA D GLU A 102 ? -6.74545 -18.08898 11.96492 0.460 6.06147 C ? A ? 103 CA 1
   ATOM 1737 C D GLU A 102 ? -6.37364 -16.84385 11.18167 0.460 6.31834 C ? A ? 103 C 1
   ATOM 1738 O D GLU A 102 ? -6.78076 -15.72650 11.54804 0.460 5.92446 O ? A ? 103 O 1
   ATOM 1739 CB D GLU A 102 ? -8.25909 -18.23980 11.97062 0.460 7.94537 C ? A ? 103 CB 1
   ATOM 1740 CG D GLU A 102 ? -8.67630 -19.48910 12.69301 0.460 10.37629 C ? A ? 103 CG 1
   ATOM 1741 CD D GLU A 102 ? -10.14626 -19.51332 12.89311 0.460 14.96995 C ? A ? 103 CD 1
   ATOM 1742 OE1 D GLU A 102 ? -10.83717 -19.56935 11.86593 0.460 14.84185 O ? A ? 103 OE1 1
   ATOM 1743 OE2 D GLU A 102 ? -10.61860 -19.41851 14.03867 0.460 18.37037 O ? A ? 103 OE2 1
   ATOM 1744 N A LEU A 103 ? -5.26006 -16.89593 9.92099 0.195 5.10278 N ? A ? 104 N 1
   ATOM 1745 CA A LEU A 103 ? -4.89501 -15.77503 9.05038 0.195 4.89265 C ? A ? 104 CA 1
   ATOM 1746 C A LEU A 103 ? -6.03129 -15.60496 8.04503 0.195 5.63363 C ? A ? 104 C 1
   ATOM 1747 O A LEU A 103 ? -6.07901 -16.26765 7.02924 0.195 5.84435 O ? A ? 104 O 1
   ATOM 1748 CB A LEU A 103 ? -3.53303 -16.01869 8.41362 0.195 5.82466 C ? A ? 104 CB 1
   ATOM 1749 CG A LEU A 103 ? -3.07555 -14.89430 7.50669 0.195 6.74146 C ? A ? 104 CG 1
   ATOM 1750 CD1 A LEU A 103 ? -2.97999 -13.59569 8.26013 0.195 7.90243 C ? A ? 104 CD1 1
   ATOM 1751 CD2 A LEU A 103 ? -1.75407 -15.28000 6.84409 0.195 8.35769 C ? A ? 104 CD2 1
   ATOM 1752 N B LEU A 103 ? -5.39852 -17.04678 10.01225 0.345 6.02099 N ? A ? 104 N 1
   ATOM 1753 CA B LEU A 103 ? -5.04457 -15.92036 9.14946 0.345 6.25284 C ? A ? 104 CA 1
   ATOM 1754 C B LEU A 103 ? -6.13738 -15.74949 8.10347 0.345 6.12930 C ? A ? 104 C 1
   ATOM 1755 O B LEU A 103 ? -6.22342 -16.51192 7.15513 0.345 6.86416 O ? A ? 104 O 1
   ATOM 1756 CB B LEU A 103 ? -3.67677 -16.16360 8.52723 0.345 6.38330 C ? A ? 104 CB 1
   ATOM 1757 CG B LEU A 103 ? -3.15533 -15.08246 7.60248 0.345 6.94914 C ? A ? 104 CG 1
   ATOM 1758 CD1 B LEU A 103 ? -3.09653 -13.69579 8.22101 0.345 8.17446 C ? A ? 104 CD1 1
   ATOM 1759 CD2 B LEU A 103 ? -1.82805 -15.51883 7.09583 0.345 8.10517 C ? A ? 104 CD2 1
   ATOM 1760 N D LEU A 103 ? -5.63133 -17.03093 10.10623 0.460 6.26974 N ? A ? 104 N 1
   ATOM 1761 CA D LEU A 103 ? -5.27130 -15.92781 9.23814 0.460 7.16802 C ? A ? 104 CA 1
   ATOM 1762 C D LEU A 103 ? -6.35453 -15.82279 8.19073 0.460 6.95892 C ? A ? 104 C 1
   ATOM 1763 O D LEU A 103 ? -6.46360 -16.67983 7.29819 0.460 6.45467 O ? A ? 104 O 1
   ATOM 1764 CB D LEU A 103 ? -3.90327 -16.11282 8.58583 0.460 6.11843 C ? A ? 104 CB 1
   ATOM 1765 CG D LEU A 103 ? -3.41331 -15.00823 7.62449 0.460 7.52126 C ? A ? 104 CG 1
   ATOM 1766 CD1 D LEU A 103 ? -3.46233 -13.62312 8.26009 0.460 8.41703 C ? A ? 104 CD1 1
   ATOM 1767 CD2 D LEU A 103 ? -1.99226 -15.30929 7.03251 0.460 9.32879 C ? A ? 104 CD2 1
   ATOM 1768 N A LEU A 104 ? -7.00459 -14.74558 8.36018 0.195 7.08562 N ? A ? 105 N 1
   ATOM 1769 CA A LEU A 104 ? -8.22526 -14.65372 7.56039 0.195 7.91663 C ? A ? 105 CA 1
   ATOM 1770 C A LEU A 104 ? -7.93855 -14.05108 6.18619 0.195 8.72788 C ? A ? 105 C 1
   ATOM 1771 O A LEU A 104 ? -8.40602 -14.55756 5.15109 0.195 9.59953 O ? A ? 105 O 1
   ATOM 1772 CB A LEU A 104 ? -9.27322 -13.82644 8.31118 0.195 9.80447 C ? A ? 105 CB 1
   ATOM 1773 CG A LEU A 104 ? -9.57457 -14.26880 9.75871 0.195 9.72256 C ? A ? 105 CG 1
   ATOM 1774 CD1 A LEU A 104 ? -10.65905 -13.38189 10.36496 0.195 10.62526 C ? A ? 105 CD1 1
   ATOM 1775 CD2 A LEU A 104 ? -9.95428 -15.74985 9.82604 0.195 9.38342 C ? A ? 105 CD2 1
   ATOM 1776 N B LEU A 104 ? -7.01801 -14.77506 8.29869 0.345 6.82670 N ? A ? 105 N 1
   ATOM 1777 CA B LEU A 104 ? -8.22042 -14.61658 7.49056 0.345 8.08796 C ? A ? 105 CA 1
   ATOM 1778 C B LEU A 104 ? -7.90254 -13.98169 6.13883 0.345 8.50643 C ? A ? 105 C 1
   ATOM 1779 O B LEU A 104 ? -8.29874 -14.48382 5.07001 0.345 8.66140 O ? A ? 105 O 1
   ATOM 1780 CB B LEU A 104 ? -9.23190 -13.73400 8.23962 0.345 9.57476 C ? A ? 105 CB 1
   ATOM 1781 CG B LEU A 104 ? -9.65106 -14.16990 9.67487 0.345 10.02758 C ? A ? 105 CG 1
   ATOM 1782 CD1 B LEU A 104 ? -10.26835 -13.04565 10.53671 0.345 9.41030 C ? A ? 105 CD1 1
   ATOM 1783 CD2 B LEU A 104 ? -10.60032 -15.34744 9.62416 0.345 10.98947 C ? A ? 105 CD2 1
   ATOM 1784 N D LEU A 104 ? -7.16483 -14.79532 8.33447 0.460 6.73017 N ? A ? 105 N 1
   ATOM 1785 CA D LEU A 104 ? -8.38754 -14.64526 7.58280 0.460 7.48795 C ? A ? 105 CA 1
   ATOM 1786 C D LEU A 104 ? -8.17756 -13.93593 6.24217 0.460 7.90432 C ? A ? 105 C 1
   ATOM 1787 O D LEU A 104 ? -8.80215 -14.32156 5.23392 0.460 7.46154 O ? A ? 105 O 1
   ATOM 1788 CB D LEU A 104 ? -9.40361 -13.84844 8.37296 0.460 10.13974 C ? A ? 105 CB 1
   ATOM 1789 CG D LEU A 104 ? -9.76542 -14.51632 9.69638 0.460 10.27982 C ? A ? 105 CG 1
   ATOM 1790 CD1 D LEU A 104 ? -10.78415 -13.67434 10.36494 0.460 12.81596 C ? A ? 105 CD1 1
   ATOM 1791 CD2 D LEU A 104 ? -10.30428 -15.88275 9.33572 0.460 12.58305 C ? A ? 105 CD2 1
   ATOM 1792 N A LYS A 105 ? -7.15859 -12.98121 6.15417 0.195 8.81646 N ? A ? 106 N 1
   ATOM 1793 CA A LYS A 105 ? -6.89027 -12.26373 4.92481 0.195 11.11397 C ? A ? 106 CA 1
   ATOM 1794 C A LYS A 105 ? -5.72032 -11.32296 5.16322 0.195 9.51628 C ? A ? 106 C 1
   ATOM 1795 O A LYS A 105 ? -5.24890 -11.11175 6.29559 0.195 9.05966 O ? A ? 106 O 1
   ATOM 1796 CB A LYS A 105 ? -8.12692 -11.51741 4.39870 0.195 15.82821 C ? A ? 106 CB 1
   ATOM 1797 CG A LYS A 105 ? -8.73141 -10.53136 5.36702 0.195 13.65653 C ? A ? 106 CG 1
   ATOM 1798 CD A LYS A 105 ? -10.05385 -9.98115 4.84915 0.195 16.16942 C ? A ? 106 CD 1
   ATOM 1799 CE A LYS A 105 ? -10.70225 -9.06490 5.86334 0.195 20.27209 C ? A ? 106 CE 1
   ATOM 1800 NZ A LYS A 105 ? -11.91990 -8.41341 5.30154 0.195 24.08051 N ? A ? 106 NZ 1
   ATOM 1801 N B LYS A 105 ? -7.24394 -12.84346 6.17190 0.345 9.14837 N ? A ? 106 N 1
   ATOM 1802 CA B LYS A 105 ? -7.01486 -12.12460 4.94363 0.345 10.54831 C ? A ? 106 CA 1
   ATOM 1803 C B LYS A 105 ? -5.88454 -11.15584 5.18405 0.345 9.90368 C ? A ? 106 C 1
   ATOM 1804 O B LYS A 105 ? -5.60867 -10.75030 6.33781 0.345 8.36047 O ? A ? 106 O 1
   ATOM 1805 CB B LYS A 105 ? -8.26752 -11.40225 4.43757 0.345 15.90192 C ? A ? 106 CB 1
   ATOM 1806 CG B LYS A 105 ? -8.79996 -10.35001 5.36686 0.345 13.50167 C ? A ? 106 CG 1
   ATOM 1807 CD B LYS A 105 ? -10.04931 -9.69634 4.78678 0.345 15.89501 C ? A ? 106 CD 1
   ATOM 1808 CE B LYS A 105 ? -10.62114 -8.65132 5.70758 0.345 21.39152 C ? A ? 106 CE 1
   ATOM 1809 NZ B LYS A 105 ? -11.60315 -7.78888 4.98295 0.345 23.79076 N ? A ? 106 NZ 1
   ATOM 1810 N D LYS A 105 ? -7.25618 -12.97793 6.15002 0.460 8.86980 N ? A ? 106 N 1
   ATOM 1811 CA D LYS A 105 ? -7.00357 -12.17767 4.95245 0.460 10.60641 C ? A ? 106 CA 1
   ATOM 1812 C D LYS A 105 ? -5.79257 -11.27718 5.18706 0.460 9.47326 C ? A ? 106 C 1
   ATOM 1813 O D LYS A 105 ? -5.36688 -11.03294 6.34162 0.460 9.07550 O ? A ? 106 O 1
   ATOM 1814 CB D LYS A 105 ? -8.22761 -11.38763 4.44381 0.460 16.01071 C ? A ? 106 CB 1
   ATOM 1815 CG D LYS A 105 ? -8.83872 -10.42419 5.41280 0.460 13.54628 C ? A ? 106 CG 1
   ATOM 1816 CD D LYS A 105 ? -10.19579 -9.91839 4.92087 0.460 15.72917 C ? A ? 106 CD 1
   ATOM 1817 CE D LYS A 105 ? -10.83356 -9.03105 5.95192 0.460 20.88845 C ? A ? 106 CE 1
   ATOM 1818 NZ D LYS A 105 ? -12.03139 -8.34132 5.38975 0.460 24.86548 N ? A ? 106 NZ 1
   ATOM 1819 N . LEU A 106 ? -5.26510 -10.76218 4.05520 1.000 10.98990 N ? A ? 107 N 1
   ATOM 1820 CA . LEU A 106 ? -4.29519 -9.68495 4.03759 1.000 14.27388 C ? A ? 107 CA 1
   ATOM 1821 C . LEU A 106 ? -4.94198 -8.50193 3.32265 1.000 15.25837 C ? A ? 107 C 1
   ATOM 1822 O . LEU A 106 ? -5.56793 -8.67185 2.26312 1.000 20.41976 O ? A ? 107 O 1
   ATOM 1823 CB . LEU A 106 ? -3.07507 -10.09459 3.26824 1.000 15.95804 C ? A ? 107 CB 1
   ATOM 1824 CG . LEU A 106 ? -2.34933 -11.26673 3.85732 1.000 16.24201 C ? A ? 107 CG 1
   ATOM 1825 CD1 . LEU A 106 ? -1.20750 -11.71090 2.98042 1.000 16.00664 C ? A ? 107 CD1 1
   ATOM 1826 CD2 . LEU A 106 ? -1.81430 -10.92668 5.24096 1.000 17.08360 C ? A ? 107 CD2 1
   ATOM 1827 N . GLU A 107 ? -4.87189 -7.33524 3.92529 1.000 15.99152 N ? A ? 108 N 1
   ATOM 1828 CA . GLU A 107 ? -5.42222 -6.10832 3.34017 1.000 18.72746 C ? A ? 108 CA 1
   ATOM 1829 C . GLU A 107 ? -4.27889 -5.20240 2.91247 1.000 29.04298 C ? A ? 108 C 1
   ATOM 1830 O . GLU A 107 ? -3.16651 -5.26952 3.45445 1.000 23.81283 O ? A ? 108 O 1
   ATOM 1831 CB . GLU A 107 ? -6.29864 -5.38282 4.33648 1.000 25.38188 C ? A ? 108 CB 1
   ATOM 1832 CG . GLU A 107 ? -7.63420 -6.02677 4.60174 1.000 30.51562 C ? A ? 108 CG 1
   ATOM 1833 CD . GLU A 107 ? -8.37846 -5.41256 5.78945 1.000 32.74354 C ? A ? 108 CD 1
   ATOM 1834 OE1 . GLU A 107 ? -9.55623 -5.74849 5.97046 1.000 37.12392 O ? A ? 108 OE1 1
   ATOM 1835 OE2 . GLU A 107 ? -7.81094 -4.60836 6.55485 1.000 31.70448 O ? A ? 108 OE2 1
   HETATM 1836 C1 . OOZ A 201 ? -3.99592 -7.58816 24.92857 1.000 9.84452 C ? B ? . C1 1
   HETATM 1837 C10 . OOZ A 201 ? -2.23126 -9.54921 26.04437 1.000 11.76939 C ? B ? . C10 1
   HETATM 1838 C11 . OOZ A 201 ? -2.49626 -5.05477 26.79959 1.000 19.67345 C ? B ? . C11 1
   HETATM 1839 C12 . OOZ A 201 ? -2.89005 -10.92136 23.92998 1.000 9.23031 C ? B ? . C12 1
   HETATM 1840 C14 . OOZ A 201 ? -5.53203 -5.82301 21.79200 1.000 11.78987 C ? B ? . C14 1
   HETATM 1841 C15 . OOZ A 201 ? -1.85537 -10.69452 26.96275 1.000 14.53743 C ? B ? . C15 1
   HETATM 1842 C16 . OOZ A 201 ? -1.59971 -10.69905 23.25191 1.000 8.34145 C ? B ? . C16 1
   HETATM 1843 C18 . OOZ A 201 ? -5.82561 -4.38325 22.32587 1.000 12.83345 C ? B ? . C18 1
   HETATM 1844 C19 . OOZ A 201 ? -6.67806 -6.31217 20.93162 1.000 14.47142 C ? B ? . C19 1
   HETATM 1845 C2 . OOZ A 201 ? -2.98767 -7.20451 25.98492 1.000 11.91435 C ? B ? . C2 1
   HETATM 1846 C22 . OOZ A 201 ? -4.81908 -3.33685 21.92385 1.000 12.37634 C ? B ? . C22 1
   HETATM 1847 C23 . OOZ A 201 ? -0.24939 -10.09206 21.35046 1.000 8.27058 C ? B ? . C23 1
   HETATM 1848 C24 . OOZ A 201 ? -2.71281 -9.74089 21.30675 1.000 7.79878 C ? B ? . C24 1
   HETATM 1849 C25 . OOZ A 201 ? -4.02595 -2.77897 22.84141 1.000 12.16376 C ? B ? . C25 1
   HETATM 1850 C26 . OOZ A 201 ? -4.83329 -2.98937 20.46656 1.000 13.85604 C ? B ? . C26 1
   HETATM 1851 C27 . OOZ A 201 ? 0.36461 -8.73201 21.15879 1.000 7.72654 C ? B ? . C27 1
   HETATM 1852 C28 . OOZ A 201 ? -0.40316 -10.85213 20.04591 1.000 7.84879 C ? B ? . C28 1
   HETATM 1853 C29 . OOZ A 201 ? -2.80739 -10.38201 19.95461 1.000 8.28578 C ? B ? . C29 1
   HETATM 1854 C30 . OOZ A 201 ? -2.97707 -1.74871 22.66038 1.000 12.47721 C ? B ? . C30 1
   HETATM 1855 C33 . OOZ A 201 ? -1.48767 -10.21568 19.19331 1.000 8.94019 C ? B ? . C33 1
   HETATM 1856 C34 . OOZ A 201 ? -1.67933 -2.52160 22.50718 1.000 11.53223 C ? B ? . C34 1
   HETATM 1857 C35 . OOZ A 201 ? -2.91582 -0.77076 23.84457 1.000 21.35675 C ? B ? . C35 1
   HETATM 1858 C36 . OOZ A 201 ? 0.27561 -6.34758 21.34184 1.000 9.09891 C ? B ? . C36 1
   HETATM 1859 C37 . OOZ A 201 ? -1.29711 -2.81078 21.12123 1.000 12.27199 C ? B ? . C37 1
   HETATM 1860 C39 . OOZ A 201 ? -1.99829 0.41005 23.54247 1.000 21.07821 C ? B ? . C39 1
   HETATM 1861 C4 . OOZ A 201 ? -4.19055 -6.52128 23.86700 1.000 11.89449 C ? B ? . C4 1
   HETATM 1862 C40 . OOZ A 201 ? 1.16336 -6.08042 22.53574 1.000 8.67938 C ? B ? . C40 1
   HETATM 1863 C41 . OOZ A 201 ? -0.80668 -5.26594 21.08492 1.000 9.29642 C ? B ? . C41 1
   HETATM 1864 C42 . OOZ A 201 ? -0.22415 -3.85188 20.91861 1.000 10.02184 C ? B ? . C42 1
   HETATM 1865 C43 . OOZ A 201 ? 2.45744 -5.78308 22.25275 1.000 7.68443 C ? B ? . C43 1
   HETATM 1866 C44 . OOZ A 201 ? 0.53472 -6.04615 23.89276 1.000 9.47173 C ? B ? . C44 1
   HETATM 1867 C45 . OOZ A 201 ? -1.68715 -5.67484 19.93750 1.000 10.49965 C ? B ? . C45 1
   HETATM 1868 C47 . OOZ A 201 ? 3.49778 -5.39156 23.21130 1.000 8.30072 C ? B ? . C47 1
   HETATM 1869 C48 . OOZ A 201 ? 4.66648 -6.34398 23.15630 1.000 9.22668 C ? B ? . C48 1
   HETATM 1870 C49 . OOZ A 201 ? 3.95096 -3.94646 22.89727 1.000 9.28580 C ? B ? . C49 1
   HETATM 1871 C5 . OOZ A 201 ? -2.70394 -8.38764 26.91221 1.000 12.31090 C ? B ? . C5 1
   HETATM 1872 C50 . OOZ A 201 ? 5.83162 -5.88271 24.03652 1.000 8.65898 C ? B ? . C50 1
   HETATM 1873 C51 . OOZ A 201 ? 5.08886 -3.50355 23.81393 1.000 9.58694 C ? B ? . C51 1
   HETATM 1874 C52 . OOZ A 201 ? 6.26364 -4.46445 23.69498 1.000 9.24955 C ? B ? . C52 1
   HETATM 1875 C55 . OOZ A 201 ? 7.14066 -7.71740 24.86892 1.000 9.62676 C ? B ? . C55 1
   HETATM 1876 C7 . OOZ A 201 ? -3.30549 -9.89945 25.00831 1.000 9.76013 C ? B ? . C7 1
   HETATM 1877 C8 . OOZ A 201 ? -5.35498 -6.84247 22.93415 1.000 11.07127 C ? B ? . C8 1
   HETATM 1878 N20 . OOZ A 201 ? -1.54145 -10.14059 22.04218 1.000 7.15380 N ? B ? . N20 1
   HETATM 1879 O13 . OOZ A 201 ? -4.43938 -10.33993 25.67877 1.000 10.72569 O ? B ? . O13 1
   HETATM 1880 O17 . OOZ A 201 ? -3.53285 -11.91504 23.66346 1.000 10.55351 O ? B ? . O17 1
   HETATM 1881 O21 . OOZ A 201 ? -0.61637 -11.13537 23.86874 1.000 9.87222 O ? B ? . O21 1
   HETATM 1882 O3 . OOZ A 201 ? -3.57560 -8.76626 24.19854 1.000 10.90491 O ? B ? . O3 1
   HETATM 1883 O31 . OOZ A 201 ? -0.36712 -7.64848 21.53816 1.000 8.87709 O ? B ? . O31 1
   HETATM 1884 O32 . OOZ A 201 ? 1.44066 -8.64561 20.66469 1.000 8.34464 O ? B ? . O32 1
   HETATM 1885 O38 . OOZ A 201 ? -0.98185 -2.83301 23.43442 1.000 12.29054 O ? B ? . O38 1
   HETATM 1886 O46 . OOZ A 201 ? 0.26083 -3.60568 19.62030 1.000 12.08668 O ? B ? . O46 1
   HETATM 1887 O53 . OOZ A 201 ? 6.99749 -6.68647 23.91144 1.000 10.26391 O ? B ? . O53 1
   HETATM 1888 O54 . OOZ A 201 ? 7.28635 -4.00361 24.56271 1.000 9.86754 O ? B ? . O54 1
   HETATM 1889 O6 . OOZ A 201 ? -3.48900 -6.07235 26.68281 1.000 20.81231 O ? B ? . O6 1
   HETATM 1890 O9 . OOZ A 201 ? -2.99280 -6.32693 23.11278 1.000 12.12676 O ? B ? . O9 1
   HETATM 1891 CD . CD A 202 ? -1.18406 -1.86175 13.61847 1.000 8.52050 Cd ? C ? . CD 1
   HETATM 1892 CL . CL A 203 ? 0.00000 0.00000 12.24846 0.405 7.30832 Cl ? D ? . CL 1
   HETATM 1893 CL . CL A 204 ? -2.72932 -2.72811 11.86307 1.000 10.57157 Cl ? E ? . CL 1
   HETATM 1894 NA . NA A 205 ? -0.04889 0.09912 17.15754 0.182 28.70426 Na 1+ F ? . NA 1
   HETATM 1895 O . HOH A 301 ? 11.57116 -16.23030 31.08330 0.933 15.60290 O ? G ? . O 1
   HETATM 1898 O . HOH A 304 ? 2.44443 -26.25329 22.71140 0.989 16.19474 O ? G ? . O 1
   HETATM 1899 O . HOH A 305 ? 9.00708 -9.10696 10.35818 0.950 23.78284 O ? G ? . O 1
   HETATM 1902 O . HOH A 308 ? 8.49885 -21.62711 29.08455 0.780 13.86773 O ? G ? . O 1
   HETATM 1903 O . HOH A 309 ? 2.51507 -6.97333 7.44751 0.973 17.19126 O ? G ? . O 1
   HETATM 1905 O . HOH A 312 ? 2.40773 -21.73528 29.74483 0.924 13.75599 O ? G ? . O 1
   HETATM 1906 O . HOH A 314 ? 7.12850 -23.67666 10.62130 0.716 23.20548 O ? G ? . O 1
   HETATM 1907 O . HOH A 316 ? -12.85042 -18.16188 14.49728 0.861 22.39142 O ? G ? . O 1
   HETATM 1910 O . HOH A 319 ? -2.66715 -16.83987 32.42291 0.597 17.17834 O ? G ? . O 1
   HETATM 1912 O . HOH A 322 ? 4.25580 -3.32118 7.62861 0.723 11.75196 O ? G ? . O 1
   HETATM 1915 O . HOH A 326 ? -9.95969 -8.78351 18.61058 0.748 12.99152 O ? G ? . O 1
   HETATM 1916 O . HOH A 327 ? 2.61497 -25.05264 18.36670 0.936 11.23469 O ? G ? . O 1
   HETATM 1917 O . HOH A 329 ? 10.60638 -9.41361 30.76775 0.817 6.84429 O ? G ? . O 1
   HETATM 1918 O . HOH A 330 ? 14.30568 -12.94849 16.74067 0.991 23.81254 O ? G ? . O 1
   HETATM 1919 O . HOH A 331 ? 7.52791 -7.79650 16.67163 1.000 13.24007 O ? G ? . O 1
   HETATM 1920 O . HOH A 334 ? -7.88754 -25.50742 5.26500 0.813 12.90013 O ? G ? . O 1
   HETATM 1921 O . HOH A 335 ? -5.97841 -17.71517 -1.93021 0.752 22.66642 O ? G ? . O 1
   HETATM 1923 O . HOH A 337 ? -1.86828 -3.04887 17.67396 0.978 18.48712 O ? G ? . O 1
   HETATM 1924 O . HOH A 338 ? 5.08353 -5.50840 13.88807 0.887 8.20811 O ? G ? . O 1
   HETATM 1925 O . HOH A 339 ? 6.50067 -26.75001 12.56003 0.984 21.17735 O ? G ? . O 1
   HETATM 1926 O . HOH A 340 ? 9.20697 -21.42002 13.66101 0.643 10.85686 O ? G ? . O 1
   HETATM 1927 O . HOH A 341 ? 1.06782 -22.66821 4.42506 0.980 13.03528 O ? G ? . O 1
   HETATM 1928 O . HOH A 344 ? 6.13906 -14.20034 5.16515 0.857 14.36257 O ? G ? . O 1
   HETATM 1929 O . HOH A 345 ? 1.59119 -11.55999 0.42283 0.870 19.58094 O ? G ? . O 1
   HETATM 1930 O . HOH A 346 ? -2.31050 -3.32855 15.10717 0.973 10.05215 O ? G ? . O 1
   HETATM 1931 O . HOH A 347 ? 2.97211 -26.03776 10.50497 0.641 13.19746 O ? G ? . O 1
   HETATM 1933 O . HOH A 349 ? -6.32600 -9.32429 36.46747 0.841 18.91766 O ? G ? . O 1
   HETATM 1934 O . HOH A 350 ? 6.27954 -21.52828 30.69710 0.816 7.33075 O ? G ? . O 1
   HETATM 1935 O . HOH A 351 ? -0.04615 -2.49680 26.10728 0.943 22.52065 O ? G ? . O 1
   HETATM 1936 O . HOH A 353 ? 4.53955 0.27848 16.11031 0.839 11.46457 O ? G ? . O 1
   HETATM 1937 O . HOH A 354 ? 0.78542 -26.07594 6.92800 0.778 12.18433 O ? G ? . O 1
   HETATM 1938 O . HOH A 355 ? 8.32425 -22.18540 21.28755 0.845 12.69488 O ? G ? . O 1
   HETATM 1939 O . HOH A 356 ? 5.87621 -14.47033 30.72156 0.879 6.11936 O ? G ? . O 1
   HETATM 1940 O . HOH A 357 ? 3.34199 -14.86486 -0.68820 0.850 16.33199 O ? G ? . O 1
   HETATM 1941 O . HOH A 358 ? 8.78115 -5.75218 13.93979 0.729 12.92370 O ? G ? . O 1
   HETATM 1942 O . HOH A 360 ? -0.89258 -10.76960 -0.73140 0.878 20.48712 O ? G ? . O 1
   HETATM 1943 O . HOH A 361 ? -4.50901 -18.27020 31.19661 0.547 13.15590 O ? G ? . O 1
   HETATM 1944 O . HOH A 362 ? -19.51824 -9.79204 20.45420 1.000 58.30887 O ? G ? . O 1
   HETATM 1945 O . HOH A 363 ? 3.14433 -4.65030 0.88373 0.826 18.79350 O ? G ? . O 1
   HETATM 1946 O . HOH A 364 ? 5.36170 -19.79112 34.11538 0.824 16.16607 O ? G ? . O 1
   HETATM 1947 O . HOH A 365 ? -6.38735 -16.83810 32.29656 0.802 22.27866 O ? G ? . O 1
   HETATM 1948 O . HOH A 367 ? 7.17912 -10.12199 37.17162 0.860 9.77041 O ? G ? . O 1
   HETATM 1949 O . HOH A 368 ? 5.05036 -14.69903 28.06112 0.823 6.01458 O ? G ? . O 1
   HETATM 1950 O . HOH A 369 ? 2.72702 -22.84591 6.83719 0.838 19.85767 O ? G ? . O 1
   HETATM 1951 O . HOH A 370 ? -3.33332 -20.94851 -3.49386 0.798 15.29411 O ? G ? . O 1
   HETATM 1952 O . HOH A 371 ? -8.38868 -29.45885 8.46427 1.000 30.06629 O ? G ? . O 1
   HETATM 1953 O . HOH A 372 ? 8.88908 0.52997 16.08279 0.981 25.57931 O ? G ? . O 1
   HETATM 1954 O . HOH A 373 ? 1.63657 -24.43081 -2.65114 0.999 32.22148 O ? G ? . O 1
   HETATM 1955 O . HOH A 375 ? 8.65170 -11.93775 10.12513 0.990 20.96081 O ? G ? . O 1
   HETATM 1956 O . HOH A 376 ? 7.39242 -11.34311 5.57420 0.641 25.03772 O ? G ? . O 1
   HETATM 1958 O . HOH A 378 ? -0.69194 -24.43779 5.32132 0.760 10.00544 O ? G ? . O 1
   HETATM 1959 O . HOH A 379 ? -5.27306 -3.47711 16.35075 1.000 30.45492 O ? G ? . O 1
   HETATM 1960 O . HOH A 381 ? 7.71635 -23.75567 13.28748 0.921 13.90440 O ? G ? . O 1
   HETATM 1961 O . HOH A 383 ? 1.23887 -0.94281 19.44958 0.566 19.66683 O ? G ? . O 1
   HETATM 1962 O . HOH A 384 ? -9.60358 -21.91063 29.64817 0.988 14.50530 O ? G ? . O 1
   HETATM 1963 O . HOH A 385 ? 12.47111 -17.97590 26.34020 0.915 13.80833 O ? G ? . O 1
   HETATM 1964 O . HOH A 386 ? -6.07051 -12.06825 1.49204 0.953 14.92987 O ? G ? . O 1
   HETATM 1965 O . HOH A 387 ? 4.44517 -20.57704 -1.43531 0.635 17.78257 O ? G ? . O 1
   HETATM 1966 O . HOH A 388 ? 4.79525 -27.57010 23.78099 0.820 15.77085 O ? G ? . O 1
   HETATM 1967 O . HOH A 389 ? 14.36582 -19.38001 17.78931 0.891 26.95088 O ? G ? . O 1
   HETATM 1968 O . HOH A 390 ? -7.43997 -4.81244 15.68134 1.000 21.11397 O ? G ? . O 1
   HETATM 1969 O . HOH A 391 ? 6.92433 -18.02009 5.01510 0.756 19.17784 O ? G ? . O 1
   HETATM 1973 O . HOH A 395 ? -8.39019 -22.30995 20.99604 0.886 19.75931 O ? G ? . O 1
   HETATM 1974 O . HOH A 396 ? 8.31364 -22.44290 24.21048 0.787 14.16079 O ? G ? . O 1
   HETATM 1975 O . HOH A 397 ? -2.34096 -17.82485 34.96239 0.852 19.26282 O ? G ? . O 1
   HETATM 1976 O . HOH A 398 ? -10.68660 -25.18503 11.50522 1.000 50.15486 O ? G ? . O 1
   HETATM 1977 O . HOH A 399 ? -10.21861 -10.23397 27.13896 0.732 47.96021 O ? G ? . O 1
   HETATM 1978 O . HOH A 400 ? 5.57445 -18.41703 36.98751 0.778 19.31037 O ? G ? . O 1
   HETATM 1979 O . HOH A 402 ? 11.94411 -19.55144 16.29967 0.744 18.30372 O ? G ? . O 1
   HETATM 1981 O . HOH A 406 ? 11.79727 -19.25255 31.14519 0.866 19.68161 O ? G ? . O 1
   HETATM 1982 O . HOH A 407 ? -2.19976 -0.23787 14.83518 0.922 11.50345 O ? G ? . O 1
   HETATM 1987 O . HOH A 417 ? 1.27300 -4.63632 27.37855 0.950 18.85521 O ? G ? . O 1
   HETATM 1989 O . HOH A 422 ? -12.39045 -7.24307 9.14481 0.841 26.91789 O ? G ? . O 1
   HETATM 1990 O . HOH A 424 ? 4.79606 -24.39246 9.51254 0.597 18.35921 O ? G ? . O 1
   HETATM 1992 O . HOH A 426 ? 3.87531 -5.90419 27.12915 0.793 9.45206 O ? G ? . O 1
   HETATM 1995 O . HOH A 429 ? -3.51803 -11.13740 -0.49238 0.765 25.22756 O ? G ? . O 1
   HETATM 1997 O . HOH A 431 ? 3.44309 -27.73270 29.92070 0.693 13.31272 O ? G ? . O 1
   HETATM 1999 O . HOH A 434 ? 5.85775 -6.69159 -1.21411 0.793 17.43545 O ? G ? . O 1
   HETATM 2000 O . HOH A 435 ? -3.03407 -0.57437 18.46882 0.899 14.00082 O ? G ? . O 1
   HETATM 2001 O . HOH A 436 ? -0.00029 -28.63903 6.04913 0.317 15.97816 O ? G ? . O 1
   HETATM 2004 O . HOH A 439 ? -15.85279 -6.68890 12.00624 0.958 30.49019 O ? G ? . O 1
   HETATM 2422 O . HOH S 443 ? -13.34258 -19.11677 11.70994 0.856 22.83004 O ? H ? . O 1
   HETATM 2423 O . HOH S 444 ? 2.36453 -28.86062 27.26191 0.845 25.36918 O ? H ? . O 1
   HETATM 2424 O . HOH S 445 ? -8.10592 -10.89604 28.75973 0.481 12.87335 O ? H ? . O 1
   HETATM 2426 O . HOH S 447 ? 13.86572 -18.31822 23.48020 1.000 30.13346 O ? H ? . O 1
   HETATM 2427 O . HOH S 448 ? -5.34725 -2.17929 14.07159 0.936 32.03797 O ? H ? . O 1
   HETATM 2431 O . HOH S 452 ? 13.86201 -12.16879 11.99713 0.912 31.61516 O ? H ? . O 1
   HETATM 2437 O . HOH S 458 ? -2.08544 -22.90581 34.92892 0.960 29.46090 O ? H ? . O 1
   HETATM 2442 O . HOH S 463 ? -9.49784 -3.45280 14.63596 0.830 25.27535 O ? H ? . O 1
   HETATM 2469 O . HOH S 490 ? -17.99889 -4.73631 11.45308 0.404 18.82363 O ? H ? . O 1
   HETATM 2481 O . HOH S 491 ? 0.00000 0.00000 27.14800 0.998 15.85877 O ? I ? . O 1
   HETATM 2488 O . HOH S 498 ? -9.75617 -18.39409 31.51856 0.380 15.15301 O ? I ? . O 1
   HETATM 2503 O . HOH S 513 ? -5.34425 -14.53965 32.87165 0.378 16.76021 O ? I ? . O 1
   HETATM 2539 O . HOH S 545 ? -14.72666 -13.01051 12.13661 0.774 16.26502 O ? J ? . O 1
   HETATM 2541 O . HOH S 547 ? 10.58604 -13.96351 36.84193 0.446 17.62529 O ? J ? . O 1
   HETATM 2544 O . HOH S 550 ? 11.34478 -6.09413 14.86679 0.518 14.53658 O ? J ? . O 1
   HETATM 2546 O . HOH S 552 ? 8.34479 -8.83549 3.94962 1.000 32.13355 O ? J ? . O 1
   HETATM 2549 O . HOH S 555 ? -1.61373 -2.85563 4.52732 0.810 26.29119 O ? J ? . O 1
   HETATM 2550 O . HOH S 556 ? 11.34904 -18.12251 14.18942 0.571 19.89840 O ? J ? . O 1
   HETATM 2551 O . HOH S 557 ? -11.91992 -22.39278 11.84946 0.468 17.24813 O ? J ? . O 1
   HETATM 2557 O . HOH S 563 ? 2.62945 -3.36217 26.01130 0.428 22.62262 O ? J ? . O 1
   HETATM 2562 O . HOH S 568 ? -6.46965 -9.44251 27.54023 0.679 23.00361 O ? J ? . O 1
   HETATM 2569 O . HOH S 575 ? 16.39431 -16.59596 20.02590 0.568 19.93595 O ? J ? . O 1
   HETATM 2573 O . HOH S 579 ? 2.35405 -27.41308 7.36461 0.356 15.18824 O ? J ? . O 1
   HETATM 2594 O . HOH S 590 ? 6.03700 -14.93029 0.15566 0.839 29.68619 O ? K ? . O 1
   HETATM 2596 O . HOH S 592 ? -8.76304 -13.80513 2.41177 0.540 17.41105 O ? K ? . O 1
   HETATM 2603 O . HOH S 599 ? 15.01105 -18.48674 20.62554 0.528 26.36487 O ? K ? . O 1
   HETATM 2606 O . HOH S 602 ? -13.17601 -14.06579 25.58184 0.506 18.80938 O ? K ? . O 1
   HETATM 2607 O . HOH S 603 ? -11.22743 -16.64958 19.64553 0.228 13.76132 O ? K ? . O 1
   HETATM 2610 O . HOH S 606 ? 14.43147 -14.92274 22.42779 0.233 12.33542 O ? K ? . O 1
   HETATM 2619 O . HOH S 615 ? 15.80055 -14.55092 20.42306 0.356 18.70784 O ? K ? . O 1
   HETATM 2625 O . HOH S 621 ? 5.99986 -28.06275 21.53684 0.771 34.04386 O ? K ? . O 1
   HETATM 2629 O . HOH S 625 ? -11.45978 -22.08676 27.49862 0.469 25.09022 O ? K ? . O 1
   HETATM 2639 O . HOH S 628 ? 3.71200 -27.94040 9.02492 0.532 17.49199 O ? L ? . O 1
   HETATM 2640 O . HOH S 629 ? -11.32485 -13.25867 26.01791 0.605 16.16235 O ? L ? . O 1
   HETATM 2641 O . HOH S 630 ? -0.74109 -27.92136 3.37666 0.437 17.53275 O ? L ? . O 1
   HETATM 2647 O . HOH S 636 ? -7.76317 -1.80908 13.46166 0.745 34.26944 O ? L ? . O 1
   HETATM 2655 O . HOH S 644 ? -18.19621 -9.70649 19.08640 0.239 13.22710 O ? L ? . O 1
   HETATM 2665 O . HOH S 654 ? 12.53825 -13.30440 10.44961 0.592 29.80537 O ? L ? . O 1
   HETATM 2666 O . HOH S 655 ? -3.49847 -1.05157 7.37281 0.478 23.61235 O ? L ? . O 1
   HETATM 2676 O . HOH S 665 ? -10.14654 -21.29106 20.25990 0.490 32.68012 O ? L ? . O 1
   HETATM 2678 O . HOH S 667 ? -0.00000 -28.63950 27.25259 0.233 23.39001 O ? L ? . O 1

data_comp_OOZ
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
   OOZ C1 C CH1 0 0.035 -3.9861 -7.4554 25.0068
   OOZ C2 C CH1 0 0.054 -2.9626 -7.0111 26.0476
   OOZ O3 O O2 0 -0.524 -3.4647 -8.5775 24.3044
   OOZ C41 C CH1 0 -0.325 -0.7124 -5.3289 21.0817
   OOZ C42 C CH1 0 0.082 -0.1314 -3.9102 21.0854
   OOZ C43 C C1 0 -0.202 2.5796 -5.8612 22.2609
   OOZ C44 C CH3 0 -0.759 0.6080 -6.2170 23.7868
   OOZ C45 C CH3 0 -0.690 -1.5421 -5.6319 19.8349
   OOZ C47 C CH1 0 -0.330 3.6108 -5.5133 23.2854
   OOZ C48 C CH2 0 -0.457 4.8799 -6.3456 23.0842
   OOZ C49 C CH2 0 -0.422 3.9509 -4.0208 23.1974
   OOZ C50 C CH1 0 0.050 5.9591 -5.9581 24.0890
   OOZ C51 C CH2 0 -0.469 5.0506 -3.6373 24.1790
   OOZ C52 C CH1 0 0.065 6.2997 -4.4768 23.9653
   OOZ C12 C C 0 0.236 -2.6328 -10.6678 23.9837
   OOZ C14 C CH1 0 -0.216 -5.6276 -5.8904 21.8050
   OOZ C16 C C 0 0.518 -1.3671 -10.3196 23.2084
   OOZ C18 C CH2 0 -0.516 -6.0320 -4.4653 22.2673
   OOZ C19 C CH3 0 -0.664 -6.6856 -6.4920 20.8844
   OOZ C22 C C 0 0.126 -5.0351 -3.4140 21.8576
   OOZ C23 C CH1 0 -0.258 -0.2526 -10.0332 21.1026
   OOZ C24 C CH2 0 -0.337 -2.7006 -9.5888 21.2637
   OOZ C25 C C1 0 -0.259 -4.2423 -2.8396 22.7657
   OOZ C26 C CH3 0 -0.734 -5.0074 -3.1194 20.3876
   OOZ C27 C C 0 0.617 0.3908 -8.6890 20.7846
   OOZ C28 C CH2 0 -0.435 -0.5093 -10.8444 19.8289
   OOZ C29 C CH2 0 -0.433 -2.9533 -10.4127 20.0144
   OOZ C30 C CH1 0 -0.423 -3.1442 -1.8345 22.5336
   OOZ C4 C CH1 0 0.015 -4.3039 -6.3837 23.9660
   OOZ C5 C CH2 0 -0.459 -2.6210 -8.1812 26.9639
   OOZ O6 O O2 0 -0.497 -3.5061 -5.9221 26.7548
   OOZ C7 C CT 0 0.450 -3.1558 -9.7095 25.0711
   OOZ C8 C CH2 0 -0.452 -5.3581 -6.8503 22.9677
   OOZ O9 O OH1 0 -0.679 -3.1270 -6.0079 23.2838
   OOZ C10 C CH1 0 -0.299 -2.1163 -9.3719 26.1480
   OOZ O13 O OH1 0 -0.653 -4.2590 -10.2522 25.6959
   OOZ O17 O O 0 -0.337 -3.1506 -11.7331 23.7747
   OOZ N20 N NT 0 -0.448 -1.4542 -9.9731 21.9179
   OOZ O21 O O 0 -0.474 -0.3241 -10.5222 23.8129
   OOZ O31 O O2 0 -0.464 -0.2001 -7.6579 21.3547
   OOZ O32 O O 0 -0.442 1.3766 -8.6248 20.0942
   OOZ C33 C CH2 0 -0.457 -1.7488 -10.3685 19.0850
   OOZ C34 C C 0 0.430 -1.8531 -2.6406 22.5123
   OOZ C35 C CH2 0 -0.408 -3.1255 -0.7534 23.6146
   OOZ C36 C CH1 0 0.001 0.4208 -6.3518 21.2388
   OOZ C37 C CH2 0 -0.621 -1.2087 -2.8298 21.1665
   OOZ O38 O O 0 -0.410 -1.3851 -3.0949 23.5357
   OOZ C39 C CH3 0 -0.673 -2.0527 0.3022 23.3825
   OOZ C40 C C 0 0.070 1.2894 -6.1423 22.4518
   OOZ O46 O OH1 0 -0.674 0.6432 -3.7615 19.9123
   OOZ O53 O O2 0 -0.501 7.1578 -6.6807 23.8986
   OOZ O54 O OH1 0 -0.673 7.2696 -4.0814 24.9077
   OOZ H1 H HCH1 0 0.224 -4.9208 -7.7255 25.5181
   OOZ H2 H HCH1 0 0.221 -2.0467 -6.7053 25.5195
   OOZ H3 H HCH1 0 0.271 -1.3660 -5.4117 21.9494
   OOZ H4 H HCH1 0 0.233 0.5086 -3.8071 21.9695
   OOZ H5 H H 0 0.234 2.9403 -5.8282 21.2341
   OOZ H6 H HCH3 0 0.247 1.3112 -6.1933 24.6159
   OOZ H7 H HCH3 0 0.246 -0.0812 -5.3802 23.9208
   OOZ H8 H HCH3 0 0.245 0.0157 -7.1286 23.8834
   OOZ H9 H HCH3 0 0.248 -2.0440 -6.5951 19.9193
   OOZ H10 H HCH3 0 0.241 -2.3263 -4.8899 19.6840
   OOZ H11 H HCH3 0 0.228 -0.9295 -5.6563 18.9331
   OOZ H12 H HCH1 0 0.241 3.2291 -5.7121 24.2918
   OOZ H13 H HCH2 0 0.246 4.6416 -7.4086 23.1733
   OOZ H14 H HCH2 0 0.222 5.2598 -6.1886 22.0679
   OOZ H15 H HCH2 0 0.219 4.2705 -3.7883 22.1756
   OOZ H16 H HCH2 0 0.242 3.0543 -3.4269 23.3879
   OOZ H17 H HCH1 0 0.196 5.5774 -6.1369 25.1088
   OOZ H18 H HCH2 0 0.242 5.2980 -2.5784 24.0718
   OOZ H19 H HCH2 0 0.222 4.6946 -3.7791 25.2052
   OOZ H20 H HCH1 0 0.189 6.6633 -4.3022 22.9383
   OOZ H21 H HCH3 0 0.233 8.1409 -8.4052 24.2931
   OOZ H22 H HCH3 0 0.204 6.8938 -7.9988 25.4853
   OOZ H23 H HCH3 0 0.207 6.4338 -8.6415 23.8993
   OOZ H27 H HCH1 0 0.235 -4.7001 -5.8168 21.2299
   OOZ H31 H HCH2 0 0.240 -7.0043 -4.2133 21.8312
   OOZ H32 H HCH2 0 0.242 -6.1757 -4.4379 23.3500
   OOZ H33 H HCH3 0 0.222 -6.3857 -7.4778 20.5234
   OOZ H34 H HCH3 0 0.216 -7.6398 -6.6043 21.4045
   OOZ H35 H HCH3 0 0.228 -6.8574 -5.8576 20.0132
   OOZ H36 H HCH1 0 0.318 0.5066 -10.5602 21.6853
   OOZ H37 H HCH2 0 0.264 -2.6478 -8.5273 21.0098
   OOZ H38 H HCH2 0 0.278 -3.5289 -9.6908 21.9604
   OOZ H39 H H 0 0.233 -4.3554 -3.1439 23.8043
   OOZ H40 H HCH3 0 0.241 -4.3331 -2.3105 20.1150
   OOZ H41 H HCH3 0 0.247 -4.7020 -4.0024 19.8198
   OOZ H42 H HCH3 0 0.243 -6.0078 -2.8572 20.0359
   OOZ H43 H HCH2 0 0.250 -0.6403 -11.8889 20.1220
   OOZ H44 H HCH2 0 0.259 0.3780 -10.8039 19.1984
   OOZ H45 H HCH2 0 0.247 -3.8455 -10.0256 19.5189
   OOZ H46 H HCH2 0 0.231 -3.1638 -11.4476 20.2984
   OOZ H47 H HCH1 0 0.264 -3.2678 -1.3508 21.5615
   OOZ H48 H HCH1 0 0.233 -4.7114 -5.5311 24.5193
   OOZ H49 H HCH2 0 0.248 -1.8418 -7.8921 27.6742
   OOZ H50 H HCH2 0 0.232 -3.5013 -8.4594 27.5510
   OOZ H51 H HCH2 0 0.221 -6.2875 -7.0244 23.5216
   OOZ H52 H HCH2 0 0.240 -5.0720 -7.8169 22.5440
   OOZ H53 H HOH1 0 0.459 -2.7706 -5.2184 23.6993
   OOZ H54 H HCH1 0 0.261 -1.2118 -9.0457 25.6285
   OOZ H55 H HOH1 0 0.456 -4.9008 -10.5561 25.0413
   OOZ H56 H HCH2 0 0.250 -1.9187 -10.9980 18.2103
   OOZ H57 H HCH2 0 0.229 -1.6026 -9.3489 18.7116
   OOZ H58 H HCH2 0 0.237 -4.1087 -0.2773 23.6310
   OOZ H59 H HCH2 0 0.224 -2.9934 -1.2166 24.5952
   OOZ H60 H HCH1 0 0.258 1.0357 -6.3317 20.3380
   OOZ H61 H HCH2 0 0.293 -0.7624 -1.8517 20.9342
   OOZ H62 H HCH2 0 0.274 -1.9824 -2.9628 20.4065
   OOZ H63 H HCH3 0 0.235 -2.1037 1.0836 24.1409
   OOZ H64 H HCH3 0 0.224 -1.0472 -0.1207 23.4201
   OOZ H65 H HCH3 0 0.222 -2.1742 0.7787 22.4084
   OOZ H66 H HOH1 0 0.449 1.1811 -2.9686 20.0001
   OOZ H67 H HOH1 0 0.440 8.0234 -4.6740 24.8164
   OOZ C11 C CH3 0 -0.409 -2.5428 -5.0141 27.2312
   OOZ C15 C CH3 0 -0.656 -1.7584 -10.5619 27.0257
   OOZ C55 C CH3 0 -0.403 7.1424 -7.9871 24.4176
   OOZ H24 H HCH3 0 0.233 -3.0655 -4.2331 27.7824
   OOZ H25 H HCH3 0 0.209 -1.8198 -5.4823 27.9076
   OOZ H26 H HCH3 0 0.207 -1.9862 -4.5449 26.4111
   OOZ H28 H HCH3 0 0.235 -0.9582 -10.2860 27.7133
   OOZ H29 H HCH3 0 0.229 -2.6066 -10.8963 27.6217
   OOZ H30 H HCH3 0 0.232 -1.3997 -11.4098 26.4403

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
   OOZ C33 C29 single 1.522 0.020 1.522
   OOZ C33 C28 single 1.522 0.020 1.522
   OOZ O46 C42 single 1.414 0.020 1.414
   OOZ C45 C41 single 1.528 0.020 1.528
   OOZ C29 C24 single 1.518 0.020 1.518
   OOZ C28 C23 single 1.532 0.020 1.532
   OOZ C26 C22 single 1.499 0.020 1.499
   OOZ O32 C27 double 1.205 0.020 1.205
   OOZ C19 C14 single 1.526 0.020 1.526
   OOZ C42 C41 single 1.533 0.020 1.533
   OOZ C42 C37 single 1.528 0.020 1.528
   OOZ C41 C36 single 1.535 0.020 1.535
   OOZ C37 C34 single 1.504 0.020 1.504
   OOZ C27 C23 single 1.524 0.020 1.524
   OOZ C27 O31 single 1.318 0.020 1.318
   OOZ C24 N20 single 1.459 0.020 1.459
   OOZ C36 O31 single 1.451 0.020 1.451
   OOZ C36 C40 single 1.507 0.020 1.507
   OOZ C23 N20 single 1.453 0.020 1.453
   OOZ C14 C18 single 1.552 0.020 1.552
   OOZ C14 C8 single 1.532 0.020 1.532
   OOZ C22 C18 single 1.506 0.020 1.506
   OOZ C22 C25 double 1.335 0.020 1.335
   OOZ N20 C16 single 1.339 0.020 1.339
   OOZ C43 C40 double 1.334 0.020 1.334
   OOZ C43 C47 single 1.495 0.020 1.495
   OOZ C40 C44 single 1.501 0.020 1.501
   OOZ C34 C30 single 1.522 0.020 1.522
   OOZ C34 O38 double 1.214 0.020 1.214
   OOZ C30 C25 single 1.507 0.020 1.507
   OOZ C30 C35 single 1.529 0.020 1.529
   OOZ C49 C47 single 1.533 0.020 1.533
   OOZ C49 C51 single 1.523 0.020 1.523
   OOZ C8 C4 single 1.525 0.020 1.525
   OOZ O9 C4 single 1.411 0.020 1.411
   OOZ C48 C47 single 1.531 0.020 1.531
   OOZ C48 C50 single 1.525 0.020 1.525
   OOZ C16 O21 double 1.222 0.020 1.222
   OOZ C16 C12 single 1.525 0.020 1.525
   OOZ C39 C35 single 1.523 0.020 1.523
   OOZ O17 C12 double 1.203 0.020 1.203
   OOZ C52 C51 single 1.520 0.020 1.520
   OOZ C52 C50 single 1.525 0.020 1.525
   OOZ C52 O54 single 1.409 0.020 1.409
   OOZ C4 C1 single 1.527 0.020 1.527
   OOZ O53 C50 single 1.413 0.020 1.413
   OOZ O53 C55 single 1.406 0.020 1.406
   OOZ C12 C7 single 1.541 0.020 1.541
   OOZ O3 C1 single 1.423 0.020 1.423
   OOZ O3 C7 single 1.402 0.020 1.402
   OOZ C1 C2 single 1.526 0.020 1.526
   OOZ C7 O13 single 1.379 0.020 1.379
   OOZ C7 C10 single 1.534 0.020 1.534
   OOZ C2 O6 single 1.408 0.020 1.408
   OOZ C2 C5 single 1.525 0.020 1.525
   OOZ C10 C5 single 1.529 0.020 1.529
   OOZ C10 C15 single 1.521 0.020 1.521
   OOZ O6 C11 single 1.407 0.020 1.407
   OOZ C1 H1 single 0.970 0.020 1.090
   OOZ C2 H2 single 0.970 0.020 1.090
   OOZ C41 H3 single 0.970 0.020 1.090
   OOZ C42 H4 single 0.970 0.020 1.090
   OOZ C43 H5 single 0.930 0.020 1.080
   OOZ C44 H6 single 0.970 0.020 1.090
   OOZ C44 H7 single 0.970 0.020 1.090
   OOZ C44 H8 single 0.970 0.020 1.090
   OOZ C45 H9 single 0.970 0.020 1.090
   OOZ C45 H10 single 0.970 0.020 1.090
   OOZ C45 H11 single 0.970 0.020 1.090
   OOZ C47 H12 single 0.970 0.020 1.090
   OOZ C48 H13 single 0.970 0.020 1.090
   OOZ C48 H14 single 0.970 0.020 1.090
   OOZ C49 H15 single 0.970 0.020 1.090
   OOZ C49 H16 single 0.970 0.020 1.090
   OOZ C50 H17 single 0.970 0.020 1.090
   OOZ C51 H18 single 0.970 0.020 1.090
   OOZ C51 H19 single 0.970 0.020 1.090
   OOZ C52 H20 single 0.970 0.020 1.090
   OOZ C55 H21 single 0.970 0.020 1.090
   OOZ C55 H22 single 0.970 0.020 1.090
   OOZ C55 H23 single 0.970 0.020 1.090
   OOZ C11 H24 single 0.970 0.020 1.090
   OOZ C11 H25 single 0.970 0.020 1.090
   OOZ C11 H26 single 0.970 0.020 1.090
   OOZ C14 H27 single 0.970 0.020 1.090
   OOZ C15 H28 single 0.970 0.020 1.090
   OOZ C15 H29 single 0.970 0.020 1.090
   OOZ C15 H30 single 0.970 0.020 1.090
   OOZ C18 H31 single 0.970 0.020 1.090
   OOZ C18 H32 single 0.970 0.020 1.090
   OOZ C19 H33 single 0.970 0.020 1.090
   OOZ C19 H34 single 0.970 0.020 1.090
   OOZ C19 H35 single 0.970 0.020 1.090
   OOZ C23 H36 single 0.970 0.020 1.090
   OOZ C24 H37 single 0.970 0.020 1.090
   OOZ C24 H38 single 0.970 0.020 1.090
   OOZ C25 H39 single 0.930 0.020 1.080
   OOZ C26 H40 single 0.970 0.020 1.090
   OOZ C26 H41 single 0.970 0.020 1.090
   OOZ C26 H42 single 0.970 0.020 1.090
   OOZ C28 H43 single 0.970 0.020 1.090
   OOZ C28 H44 single 0.970 0.020 1.090
   OOZ C29 H45 single 0.970 0.020 1.090
   OOZ C29 H46 single 0.970 0.020 1.090
   OOZ C30 H47 single 0.970 0.020 1.090
   OOZ C4 H48 single 0.970 0.020 1.090
   OOZ C5 H49 single 0.970 0.020 1.090
   OOZ C5 H50 single 0.970 0.020 1.090
   OOZ C8 H51 single 0.970 0.020 1.090
   OOZ C8 H52 single 0.970 0.020 1.090
   OOZ O9 H53 single 0.850 0.020 0.980
   OOZ C10 H54 single 0.970 0.020 1.090
   OOZ O13 H55 single 0.850 0.020 0.980
   OOZ C33 H56 single 0.970 0.020 1.090
   OOZ C33 H57 single 0.970 0.020 1.090
   OOZ C35 H58 single 0.970 0.020 1.090
   OOZ C35 H59 single 0.970 0.020 1.090
   OOZ C36 H60 single 0.970 0.020 1.090
   OOZ C37 H61 single 0.970 0.020 1.090
   OOZ C37 H62 single 0.970 0.020 1.090
   OOZ C39 H63 single 0.970 0.020 1.090
   OOZ C39 H64 single 0.970 0.020 1.090
   OOZ C39 H65 single 0.970 0.020 1.090
   OOZ O46 H66 single 0.850 0.020 0.980
   OOZ O54 H67 single 0.850 0.020 0.980

loop_
  _chem_comp_angle.comp_id
  _chem_comp_angle.atom_id_1
  _chem_comp_angle.atom_id_2
  _chem_comp_angle.atom_id_3
  _chem_comp_angle.value_angle
  _chem_comp_angle.value_angle_esd
   OOZ H1 C1 C4 108.22 3.000
   OOZ H1 C1 O3 110.33 3.000
   OOZ C4 C1 O3 107.05 3.000
   OOZ H1 C1 C2 108.94 3.000
   OOZ O3 C1 C2 108.69 3.000
   OOZ C4 C1 C2 113.59 3.000
   OOZ H2 C2 O6 110.33 3.000
   OOZ H2 C2 C5 108.37 3.000
   OOZ O6 C2 C5 112.23 3.000
   OOZ H2 C2 C1 108.17 3.000
   OOZ C5 C2 C1 109.68 3.000
   OOZ O6 C2 C1 107.99 3.000
   OOZ C7 O3 C1 116.60 3.000
   OOZ H3 C41 C36 108.10 3.000
   OOZ H3 C41 C45 108.00 3.000
   OOZ C36 C41 C45 110.63 3.000
   OOZ H3 C41 C42 107.21 3.000
   OOZ C36 C41 C42 109.68 3.000
   OOZ C45 C41 C42 113.03 3.000
   OOZ H4 C42 O46 109.84 3.000
   OOZ H4 C42 C37 107.60 3.000
   OOZ O46 C42 C37 110.86 3.000
   OOZ H4 C42 C41 108.07 3.000
   OOZ C37 C42 C41 112.78 3.000
   OOZ O46 C42 C41 107.64 3.000
   OOZ H5 C43 C40 117.50 3.000
   OOZ H5 C43 C47 114.25 3.000
   OOZ C40 C43 C47 128.18 3.000
   OOZ H8 C44 H7 106.65 3.000
   OOZ H8 C44 H6 107.56 3.000
   OOZ H7 C44 H6 107.33 3.000
   OOZ H8 C44 C40 111.52 3.000
   OOZ H7 C44 C40 110.95 3.000
   OOZ H6 C44 C40 112.55 3.000
   OOZ H11 C45 H10 107.75 3.000
   OOZ H11 C45 H9 107.64 3.000
   OOZ H10 C45 H9 106.33 3.000
   OOZ H11 C45 C41 111.98 3.000
   OOZ H10 C45 C41 111.63 3.000
   OOZ H9 C45 C41 111.24 3.000
   OOZ H12 C47 C49 107.87 3.000
   OOZ H12 C47 C48 108.13 3.000
   OOZ C49 C47 C48 109.74 3.000
   OOZ H12 C47 C43 110.33 3.000
   OOZ C48 C47 C43 110.81 3.000
   OOZ C49 C47 C43 109.89 3.000
   OOZ H14 C48 H13 106.89 3.000
   OOZ H14 C48 C50 109.23 3.000
   OOZ H13 C48 C50 110.35 3.000
   OOZ H14 C48 C47 109.34 3.000
   OOZ H13 C48 C47 109.71 3.000
   OOZ C50 C48 C47 111.22 3.000
   OOZ H16 C49 H15 106.67 3.000
   OOZ H16 C49 C51 110.09 3.000
   OOZ H15 C49 C51 109.69 3.000
   OOZ H16 C49 C47 109.70 3.000
   OOZ H15 C49 C47 108.96 3.000
   OOZ C51 C49 C47 111.60 3.000
   OOZ H17 C50 O53 109.59 3.000
   OOZ H17 C50 C52 108.03 3.000
   OOZ O53 C50 C52 107.24 3.000
   OOZ H17 C50 C48 108.85 3.000
   OOZ O53 C50 C48 112.44 3.000
   OOZ C52 C50 C48 110.58 3.000
   OOZ H19 C51 H18 106.91 3.000
   OOZ H19 C51 C52 109.11 3.000
   OOZ H18 C51 C52 109.60 3.000
   OOZ H19 C51 C49 109.66 3.000
   OOZ H18 C51 C49 110.13 3.000
   OOZ C52 C51 C49 111.33 3.000
   OOZ H20 C52 O54 110.57 3.000
   OOZ H20 C52 C51 108.31 3.000
   OOZ O54 C52 C51 108.46 3.000
   OOZ H20 C52 C50 107.62 3.000
   OOZ O54 C52 C50 111.85 3.000
   OOZ C51 C52 C50 109.97 3.000
   OOZ O17 C12 C7 121.83 3.000
   OOZ C7 C12 C16 119.91 3.000
   OOZ O17 C12 C16 118.12 3.000
   OOZ H27 C14 C8 106.98 3.000
   OOZ H27 C14 C19 107.29 3.000
   OOZ C8 C14 C19 109.44 3.000
   OOZ H27 C14 C18 108.41 3.000
   OOZ C8 C14 C18 113.28 3.000
   OOZ C19 C14 C18 111.17 3.000
   OOZ O21 C16 N20 125.10 3.000
   OOZ O21 C16 C12 114.77 3.000
   OOZ N20 C16 C12 119.68 3.000
   OOZ H32 C18 H31 105.80 3.000
   OOZ H32 C18 C22 109.83 3.000
   OOZ H31 C18 C22 108.59 3.000
   OOZ H32 C18 C14 110.64 3.000
   OOZ H31 C18 C14 108.91 3.000
   OOZ C22 C18 C14 112.80 3.000
   OOZ H35 C19 H34 107.60 3.000
   OOZ H35 C19 H33 107.71 3.000
   OOZ H34 C19 H33 107.72 3.000
   OOZ H35 C19 C14 111.20 3.000
   OOZ H34 C19 C14 111.03 3.000
   OOZ H33 C19 C14 111.41 3.000
   OOZ C26 C22 C25 124.83 3.000
   OOZ C25 C22 C18 120.56 3.000
   OOZ C26 C22 C18 114.60 3.000
   OOZ H36 C23 N20 107.18 3.000
   OOZ H36 C23 C28 107.73 3.000
   OOZ N20 C23 C28 110.47 3.000
   OOZ H36 C23 C27 104.09 3.000
   OOZ N20 C23 C27 115.45 3.000
   OOZ C28 C23 C27 111.37 3.000
   OOZ H38 C24 H37 106.07 3.000
   OOZ H38 C24 N20 109.80 3.000
   OOZ H37 C24 N20 108.59 3.000
   OOZ H38 C24 C29 110.46 3.000
   OOZ H37 C24 C29 110.13 3.000
   OOZ N20 C24 C29 111.61 3.000
   OOZ H39 C25 C30 114.16 3.000
   OOZ H39 C25 C22 117.84 3.000
   OOZ C30 C25 C22 127.95 3.000
   OOZ H42 C26 H41 106.41 3.000
   OOZ H42 C26 H40 107.97 3.000
   OOZ H41 C26 H40 107.29 3.000
   OOZ H42 C26 C22 110.24 3.000
   OOZ H41 C26 C22 110.83 3.000
   OOZ H40 C26 C22 113.78 3.000
   OOZ O32 C27 O31 124.94 3.000
   OOZ O31 C27 C23 114.24 3.000
   OOZ O32 C27 C23 120.79 3.000
   OOZ H44 C28 H43 106.76 3.000
   OOZ H44 C28 C33 111.64 3.000
   OOZ H43 C28 C33 109.42 3.000
   OOZ H44 C28 C23 108.97 3.000
   OOZ H43 C28 C23 107.65 3.000
   OOZ C33 C28 C23 112.17 3.000
   OOZ H46 C29 H45 107.23 3.000
   OOZ H46 C29 C33 109.77 3.000
   OOZ H45 C29 C33 111.06 3.000
   OOZ H46 C29 C24 109.39 3.000
   OOZ H45 C29 C24 108.50 3.000
   OOZ C33 C29 C24 110.80 3.000
   OOZ H47 C30 C35 108.50 3.000
   OOZ H47 C30 C34 108.53 3.000
   OOZ C35 C30 C34 111.96 3.000
   OOZ H47 C30 C25 110.48 3.000
   OOZ C35 C30 C25 111.82 3.000
   OOZ C34 C30 C25 105.49 3.000
   OOZ H48 C4 O9 110.32 3.000
   OOZ H48 C4 C8 108.17 3.000
   OOZ O9 C4 C8 109.97 3.000
   OOZ H48 C4 C1 106.22 3.000
   OOZ O9 C4 C1 110.04 3.000
   OOZ C8 C4 C1 112.04 3.000
   OOZ H50 C5 H49 106.98 3.000
   OOZ H50 C5 C10 110.73 3.000
   OOZ H49 C5 C10 108.51 3.000
   OOZ H50 C5 C2 109.71 3.000
   OOZ H49 C5 C2 110.31 3.000
   OOZ C10 C5 C2 110.54 3.000
   OOZ C11 O6 C2 113.89 3.000
   OOZ O13 C7 C10 108.09 3.000
   OOZ C10 C7 C12 113.71 3.000
   OOZ O13 C7 C12 110.27 3.000
   OOZ C10 C7 O3 110.83 3.000
   OOZ O13 C7 O3 112.91 3.000
   OOZ C12 C7 O3 101.02 3.000
   OOZ H52 C8 H51 106.10 3.000
   OOZ H52 C8 C4 110.08 3.000
   OOZ H51 C8 C4 107.70 3.000
   OOZ H52 C8 C14 107.81 3.000
   OOZ H51 C8 C14 109.51 3.000
   OOZ C4 C8 C14 115.27 3.000
   OOZ H53 O9 C4 108.62 3.000
   OOZ H54 C10 C7 107.02 3.000
   OOZ H54 C10 C5 107.12 3.000
   OOZ C7 C10 C5 108.80 3.000
   OOZ H54 C10 C15 108.24 3.000
   OOZ C5 C10 C15 112.27 3.000
   OOZ C7 C10 C15 113.09 3.000
   OOZ H55 O13 C7 110.38 3.000
   OOZ C24 N20 C23 117.75 3.000
   OOZ C23 N20 C16 118.44 3.000
   OOZ C24 N20 C16 123.76 3.000
   OOZ C36 O31 C27 118.54 3.000
   OOZ H57 C33 H56 106.53 3.000
   OOZ H57 C33 C29 109.92 3.000
   OOZ H56 C33 C29 110.46 3.000
   OOZ H57 C33 C28 110.42 3.000
   OOZ H56 C33 C28 109.77 3.000
   OOZ C29 C33 C28 109.69 3.000
   OOZ O38 C34 C37 122.83 3.000
   OOZ O38 C34 C30 120.90 3.000
   OOZ C37 C34 C30 116.27 3.000
   OOZ H59 C35 H58 106.27 3.000
   OOZ H59 C35 C39 110.22 3.000
   OOZ H58 C35 C39 109.52 3.000
   OOZ H59 C35 C30 109.65 3.000
   OOZ H58 C35 C30 107.92 3.000
   OOZ C39 C35 C30 113.02 3.000
   OOZ H60 C36 C40 109.71 3.000
   OOZ H60 C36 O31 108.90 3.000
   OOZ C40 C36 O31 107.92 3.000
   OOZ H60 C36 C41 108.62 3.000
   OOZ C40 C36 C41 114.55 3.000
   OOZ O31 C36 C41 106.99 3.000
   OOZ H62 C37 H61 104.40 3.000
   OOZ H62 C37 C34 109.53 3.000
   OOZ H61 C37 C34 104.53 3.000
   OOZ H62 C37 C42 112.10 3.000
   OOZ H61 C37 C42 109.36 3.000
   OOZ C34 C37 C42 116.01 3.000
   OOZ H65 C39 H64 107.61 3.000
   OOZ H65 C39 H63 107.63 3.000
   OOZ H64 C39 H63 107.27 3.000
   OOZ H65 C39 C35 111.12 3.000
   OOZ H64 C39 C35 112.03 3.000
   OOZ H63 C39 C35 110.97 3.000
   OOZ C36 C40 C44 116.58 3.000
   OOZ C44 C40 C43 125.23 3.000
   OOZ C36 C40 C43 118.14 3.000
   OOZ H66 O46 C42 108.50 3.000
   OOZ C55 O53 C50 114.60 3.000
   OOZ H67 O54 C52 107.62 3.000
   OOZ H26 C11 H25 108.05 3.000
   OOZ H26 C11 H24 108.37 3.000
   OOZ H25 C11 H24 108.10 3.000
   OOZ H26 C11 O6 111.74 3.000
   OOZ H25 C11 O6 112.66 3.000
   OOZ H24 C11 O6 107.78 3.000
   OOZ H30 C15 H29 108.12 3.000
   OOZ H30 C15 H28 107.08 3.000
   OOZ H29 C15 H28 107.71 3.000
   OOZ H30 C15 C10 112.07 3.000
   OOZ H29 C15 C10 111.87 3.000
   OOZ H28 C15 C10 109.78 3.000
   OOZ H23 C55 H22 107.93 3.000
   OOZ H23 C55 H21 108.04 3.000
   OOZ H22 C55 H21 108.35 3.000
   OOZ H23 C55 O53 112.81 3.000
   OOZ H22 C55 O53 111.84 3.000
   OOZ H21 C55 O53 107.72 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
   OOZ CONST_01 O21 C16 N20 C23 0.00 0.0 0
   OOZ CONST_02 O21 C16 N20 C24 180.00 0.0 0
   OOZ Var_01 C30 C25 C22 C18 176.35 0.0 0
   OOZ Var_02 C30 C34 C37 C42 -165.19 30.0 1
   OOZ Var_03 C52 C51 C49 C47 56.25 30.0 1
   OOZ Var_04 C25 C22 C18 C14 -108.04 30.0 1
   OOZ Var_05 C29 C24 N20 C16 -126.43 30.0 3
   OOZ Var_06 C29 C33 C28 C23 -56.06 30.0 1
   OOZ Var_07 C28 C33 C29 C24 56.34 30.0 1
   OOZ Var_08 N20 C16 C12 C7 -109.40 30.0 1
   OOZ Var_09 C33 C29 C24 N20 -52.81 30.0 1
   OOZ Var_10 C36 C40 C43 C47 174.97 0.0 2
   OOZ Var_11 H40 C26 C22 C18 175.97 30.0 3
   OOZ Var_12 H24 C11 O6 C2 -178.43 30.0 3
   OOZ Var_13 H21 C55 O53 C50 -174.86 30.0 3
   OOZ Var_14 H63 C39 C35 C30 176.95 30.0 3
   OOZ Var_15 H6 C44 C40 C36 172.13 30.0 3
   OOZ Var_16 C14 C8 C4 C1 -173.89 30.0 3
   OOZ Var_17 C12 C7 O3 C1 -179.79 30.0 1
   OOZ Var_18 C10 C7 O3 C1 -58.97 30.0 1
   OOZ Var_19 C10 C5 C2 C1 56.44 30.0 1
   OOZ Var_20 C8 C4 C1 C2 -178.39 30.0 3
   OOZ Var_21 C7 O3 C1 C2 59.55 30.0 1
   OOZ Var_22 C7 C10 C5 C2 -54.27 30.0 1
   OOZ Var_23 C8 C4 C1 O3 61.62 30.0 3
   OOZ Var_24 C5 C2 C1 O3 -56.02 30.0 1
   OOZ Var_25 C16 C12 C7 O3 63.86 30.0 3
   OOZ Var_26 C5 C10 C7 O3 53.66 30.0 1
   OOZ Var_27 C34 C37 C42 C41 75.06 30.0 3
   OOZ Var_28 C27 O31 C36 C41 142.73 30.0 3
   OOZ Var_29 O31 C36 C41 C42 174.73 30.0 3
   OOZ Var_30 C52 C50 C48 C47 -58.23 30.0 1
   OOZ Var_31 C51 C49 C47 C48 -55.05 30.0 1
   OOZ Var_32 C51 C52 C50 C48 57.81 30.0 1
   OOZ Var_33 C50 C48 C47 C49 56.14 30.0 1
   OOZ Var_34 C50 C52 C51 C49 -56.93 30.0 1
   OOZ Var_35 C5 C10 C7 C12 166.64 30.0 1
   OOZ Var_36 C28 C23 N20 C16 128.13 30.0 1
   OOZ Var_37 C27 C23 N20 C16 -104.39 30.0 1
   OOZ Var_38 C10 C7 C12 C16 -54.90 30.0 3
   OOZ Var_39 C4 C8 C14 C18 -56.00 30.0 3
   OOZ Var_40 C8 C14 C18 C22 116.25 30.0 3
   OOZ Var_41 C34 C30 C25 C22 -97.72 30.0 3
   OOZ Var_42 C36 O31 C27 C23 173.19 30.0 3
   OOZ Var_43 C28 C23 N20 C24 -49.42 30.0 1
   OOZ Var_44 C27 C23 N20 C24 78.06 30.0 1
   OOZ Var_45 C37 C34 C30 C25 106.68 30.0 3
   OOZ Var_46 C33 C28 C23 C27 -78.53 30.0 1
   OOZ Var_47 O31 C27 C23 C28 130.30 30.0 3
   OOZ Var_48 C7 O3 C1 C4 -177.39 30.0 1
   OOZ Var_49 C5 C2 C1 C4 -175.06 30.0 1
   OOZ Var_50 C33 C28 C23 N20 51.16 30.0 1
   OOZ Var_51 O31 C27 C23 N20 3.27 30.0 3
   OOZ Var_52 C37 C42 C41 C36 -170.47 30.0 3
   OOZ Var_53 O13 C7 O3 C1 62.47 30.0 1
   OOZ Var_54 O9 C4 C1 C2 58.93 30.0 3
   OOZ Var_55 C15 C10 C5 C2 179.79 30.0 1
   OOZ Var_56 O9 C4 C1 O3 -61.05 30.0 3
   OOZ Var_57 O6 C2 C1 O3 -178.60 30.0 1
   OOZ Var_58 O17 C12 C7 O3 -120.61 30.0 3
   OOZ Var_59 C15 C10 C7 O3 179.13 30.0 1
   OOZ Var_60 C40 C36 C41 C42 55.18 30.0 3
   OOZ Var_61 C51 C49 C47 C43 -177.14 30.0 1
   OOZ Var_62 C50 C48 C47 C43 177.68 30.0 1
   OOZ Var_63 C37 C42 C41 C45 65.57 30.0 3
   OOZ Var_64 O31 C36 C41 C45 -59.91 30.0 3
   OOZ Var_65 O53 C50 C48 C47 -178.08 30.0 1
   OOZ Var_66 O54 C52 C50 C48 178.39 30.0 1
   OOZ Var_67 O54 C52 C51 C49 -179.52 30.0 1
   OOZ Var_68 O53 C50 C52 C51 -179.26 30.0 1
   OOZ Var_69 C15 C10 C7 C12 -67.90 30.0 1
   OOZ Var_70 O9 C4 C8 C14 -51.18 30.0 3
   OOZ Var_71 O13 C7 C12 C16 -176.49 30.0 3
   OOZ Var_72 C22 C18 C14 C19 -120.03 30.0 3
   OOZ Var_73 C4 C8 C14 C19 179.34 30.0 3
   OOZ Var_74 C35 C30 C25 C22 140.35 30.0 3
   OOZ Var_75 O38 C34 C30 C25 -73.44 30.0 3
   OOZ Var_76 C40 C36 O31 C27 -93.54 30.0 3
   OOZ Var_77 O32 C27 C23 C28 -51.54 30.0 3
   OOZ Var_78 O6 C2 C1 C4 62.36 30.0 1
   OOZ Var_79 O13 C7 C10 C5 -70.57 30.0 1
   OOZ Var_80 C10 C5 C2 O6 176.48 30.0 1
   OOZ Var_81 O17 C12 C7 C10 120.64 30.0 3
   OOZ Var_82 O32 C27 C23 N20 -178.57 30.0 3
   OOZ Var_83 C36 O31 C27 O32 -4.88 30.0 3
   OOZ Var_84 O46 C42 C37 C34 -164.16 30.0 3
   OOZ Var_85 C37 C34 C30 C35 -131.48 30.0 3
   OOZ Var_86 O46 C42 C41 C36 66.93 30.0 3
   OOZ Var_87 H51 C8 C4 C1 63.54 30.0 3
   OOZ Var_88 H52 C8 C4 C1 -51.71 30.0 3
   OOZ Var_89 H49 C5 C2 C1 176.44 30.0 1
   OOZ Var_90 H50 C5 C2 C1 -65.95 30.0 1
   OOZ Var_91 H48 C4 C1 C2 -60.48 30.0 3
   OOZ Var_92 H54 C10 C5 C2 61.10 30.0 1
   OOZ Var_93 H2 C2 C1 O3 61.99 30.0 1
   OOZ Var_94 H61 C37 C42 C41 -167.07 30.0 3
   OOZ Var_95 H62 C37 C42 C41 -51.79 30.0 3
   OOZ Var_96 H60 C36 C41 C42 -67.86 30.0 3
   OOZ Var_97 H17 C50 C48 C47 60.30 30.0 1
   OOZ Var_98 H15 C49 C47 C48 66.24 30.0 1
   OOZ Var_99 H16 C49 C47 C48 -177.34 30.0 1
   OOZ Var_100 H20 C52 C50 C48 -59.98 30.0 1
   OOZ Var_101 H13 C48 C47 C49 178.51 30.0 1
   OOZ Var_102 H14 C48 C47 C49 -64.57 30.0 1
   OOZ Var_103 H12 C47 C48 C50 -61.29 30.0 1
   OOZ Var_104 H36 C23 N20 C16 11.03 30.0 1
   OOZ Var_105 H27 C14 C18 C22 -2.33 30.0 3
   OOZ Var_106 H47 C30 C25 C22 19.39 30.0 3
   OOZ Var_107 H43 C28 C23 C27 161.05 30.0 1
   OOZ Var_108 H44 C28 C23 C27 45.61 30.0 1
   OOZ Var_109 H1 C1 C2 C5 64.25 30.0 1
   OOZ Var_110 H3 C41 C36 O31 58.15 30.0 3
   OOZ Var_111 H4 C42 C37 C34 -44.03 30.0 3
   OOZ Var_112 C11 O6 C2 C1 -150.00 30.0 3
   OOZ Var_113 C43 C40 C36 C41 -116.91 30.0 3
   OOZ Var_114 C44 C40 C36 C41 60.79 30.0 3
   OOZ Var_115 O31 C36 C40 C43 124.06 30.0 1
   OOZ Var_116 O31 C36 C40 C44 -58.24 30.0 1
   OOZ Var_117 O46 C42 C41 C45 -57.03 30.0 3
   OOZ Var_118 C40 C36 C41 C45 -179.46 30.0 3
   OOZ Var_119 C40 C43 C47 C48 131.44 30.0 1
   OOZ Var_120 C55 O53 C50 C48 -79.05 30.0 1
   OOZ Var_121 C40 C43 C47 C49 -107.11 30.0 1
   OOZ Var_122 C55 O53 C50 C52 159.18 30.0 1
   OOZ Var_123 C39 C35 C30 C25 -178.20 30.0 3
   OOZ Var_124 C11 O6 C2 C5 89.00 30.0 3
   OOZ Var_125 O17 C12 C7 O13 -0.96 30.0 3
   OOZ Var_126 C15 C10 C7 O13 54.90 30.0 1
   OOZ Var_127 C39 C35 C30 C34 63.66 30.0 3
   OOZ Var_128 O38 C34 C30 C35 48.41 30.0 3
   OOZ Var_129 O54 C52 C50 O53 -58.68 30.0 1
   OOZ Var_130 H53 O9 C4 C1 -96.15 30.0 3
   OOZ Var_131 H55 O13 C7 O3 62.50 30.0 3
   OOZ Var_132 H66 O46 C42 C41 -166.44 30.0 3
   OOZ Var_133 H9 C45 C41 C42 -172.73 30.0 3
   OOZ Var_134 H10 C45 C41 C42 -54.14 30.0 3
   OOZ Var_135 H11 C45 C41 C42 66.77 30.0 3
   OOZ Var_136 H5 C43 C47 C48 -51.71 30.0 1
   OOZ Var_137 H67 O54 C52 C50 53.37 30.0 3
   OOZ Var_138 H33 C19 C14 C18 177.63 30.0 3
   OOZ Var_139 H34 C19 C14 C18 -62.30 30.0 3
   OOZ Var_140 H35 C19 C14 C18 57.47 30.0 3
   OOZ Var_141 H58 C35 C30 C25 -56.94 30.0 3
   OOZ Var_142 H59 C35 C30 C25 58.41 30.0 3
   OOZ Var_143 H28 C15 C10 C5 -61.20 30.0 3
   OOZ Var_144 H29 C15 C10 C5 58.31 30.0 3
   OOZ Var_145 H30 C15 C10 C5 179.94 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
   OOZ chir_01 C1 C4 O3 C2 negativ
   OOZ chir_02 C2 O6 C5 C1 negativ
   OOZ chir_03 C41 C45 C42 C36 positiv
   OOZ chir_04 C42 O46 C41 C37 positiv
   OOZ chir_05 C47 C43 C49 C48 positiv
   OOZ chir_06 C50 O53 C48 C52 positiv
   OOZ chir_07 C52 O54 C50 C51 negativ
   OOZ chir_08 C14 C19 C18 C8 negativ
   OOZ chir_09 C23 C28 C27 N20 negativ
   OOZ chir_10 C30 C34 C25 C35 negativ
   OOZ chir_11 C4 C8 O9 C1 positiv
   OOZ chir_12 C7 O3 C12 C10 negativ
   OOZ chir_13 C10 C7 C5 C15 negativ
   OOZ chir_14 C36 C41 O31 C40 positiv

loop_
  _chem_comp_plane_atom.comp_id
  _chem_comp_plane_atom.plane_id
  _chem_comp_plane_atom.atom_id
  _chem_comp_plane_atom.dist_esd
   OOZ plan-1 C12 0.020
   OOZ plan-1 C16 0.020
   OOZ plan-1 C23 0.020
   OOZ plan-1 C24 0.020
   OOZ plan-1 N20 0.020
   OOZ plan-1 O21 0.020
   OOZ plan-2 C12 0.020
   OOZ plan-2 C16 0.020
   OOZ plan-2 C7 0.020
   OOZ plan-2 O17 0.020
   OOZ plan-3 C30 0.020
   OOZ plan-3 C34 0.020
   OOZ plan-3 C37 0.020
   OOZ plan-3 O38 0.020
   OOZ plan-4 C23 0.020
   OOZ plan-4 C27 0.020
   OOZ plan-4 O31 0.020
   OOZ plan-4 O32 0.020
   OOZ plan-5 C18 0.020
   OOZ plan-5 C22 0.020
   OOZ plan-5 C25 0.020
   OOZ plan-5 C26 0.020
   OOZ plan-5 C30 0.020
   OOZ plan-5 H39 0.020
   OOZ plan-6 C43 0.020
   OOZ plan-6 C44 0.020
   OOZ plan-6 C47 0.020
   OOZ plan-6 C36 0.020
   OOZ plan-6 C40 0.020
   OOZ plan-6 H5 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   OOZ plan-1
   OOZ plan-2
   OOZ plan-3
   OOZ plan-4
   OOZ plan-5
   OOZ 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
   OOZ OOZ (1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-17-ethyl-25-methoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14,23-tris(oxidanyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone ligand 122 55 .

data_comp_CD
loop_
  _chem_comp_atom.comp_id
  _chem_comp_atom.atom_id
  _chem_comp_atom.type_symbol
  _chem_comp_atom.type_energy
  _chem_comp_atom.partial_charge
   Cd P P P 0.714
   Cd O1P O OP -0.340
   Cd O2P O OP -0.340
   Cd O5* O OC2 -0.267
   Cd C5* C CH2 0.066
   Cd H5*1 H HCH2 0.005
   Cd H5*2 H HCH2 0.005
   Cd C4* C CH1 0.084
   Cd H4* H HCH1 0.010
   Cd O4* O O2 -0.193
   Cd C1* C CH1 0.245
   Cd H1* H HCH1 0.005
   Cd N1 N NR6 -0.286
   Cd C2 C CR6 0.469
   Cd O2 O O -0.259
   Cd N3 N NRD6 -0.395
   Cd C4 C CR6 0.315
   Cd N4 N NH2 -0.371
   Cd H41 H HNH2 0.168
   Cd H42 H HNH2 0.168
   Cd C5 C CR16 -0.135
   Cd H5 H HCR6 0.020
   Cd C6 C CR16 0.168
   Cd H6 H HCR6 0.020
   Cd C2* C CH2 -0.043
   Cd H2*1 H HCH2 0.010
   Cd H2*2 H HCH2 0.010
   Cd C3* C CH1 0.081
   Cd H3* H HCH1 0.005
   Cd O3* O OC2 -0.267

loop_
  _chem_comp_tree.comp_id
  _chem_comp_tree.atom_id
  _chem_comp_tree.atom_back
  _chem_comp_tree.atom_forward
  _chem_comp_tree.connect_type
   Cd P n/a O5* START
   Cd O1P P . .
   Cd O2P P . .
   Cd O5* P C5* .
   Cd C5* O5* C4* .
   Cd H5*1 C5* . .
   Cd H5*2 C5* . .
   Cd C4* C5* C3* .
   Cd H4* C4* . .
   Cd O4* C4* C1* .
   Cd C1* O4* C2* .
   Cd H1* C1* . .
   Cd N1 C1* C2 .
   Cd C2 N1 N3 .
   Cd O2 C2 . .
   Cd N3 C2 C4 .
   Cd C4 N3 C5 .
   Cd N4 C4 H42 .
   Cd H41 N4 . .
   Cd H42 N4 . .
   Cd C5 C4 C6 .
   Cd H5 C5 . .
   Cd C6 C5 H6 .
   Cd H6 C6 . .
   Cd C2* C1* H2*2 .
   Cd H2*1 C2* . .
   Cd H2*2 C2* . .
   Cd C3* C4* O3* .
   Cd H3* C3* . .
   Cd O3* C3* . END
   Cd C2* C3* . ADD
   Cd C6 N1 . ADD

loop_
  _chem_comp_bond.comp_id
  _chem_comp_bond.atom_id_1
  _chem_comp_bond.atom_id_2
  _chem_comp_bond.type
  _chem_comp_bond.value_dist
  _chem_comp_bond.value_dist_esd
  _chem_comp_bond.value_dist_neutron
   Cd P O5* coval 1.600 0.020 1.600
   Cd P O1P coval 1.480 0.020 1.480
   Cd P O2P coval 1.480 0.020 1.480
   Cd C1* C2* coval 1.525 0.020 1.525
   Cd C2* C3* coval 1.525 0.020 1.525
   Cd C3* C4* coval 1.523 0.020 1.523
   Cd C3* O3* coval 1.422 0.030 1.422
   Cd C4* C5* coval 1.518 0.020 1.518
   Cd C4* O4* coval 1.450 0.020 1.450
   Cd O4* C1* coval 1.414 0.020 1.414
   Cd C5* O5* coval 1.423 0.030 1.423
   Cd C5* H5*1 coval 0.970 0.020 1.090
   Cd C5* H5*2 coval 0.970 0.020 1.090
   Cd C4* H4* coval 0.970 0.020 1.090
   Cd C1* H1* coval 0.970 0.020 1.090
   Cd C2* H2*1 coval 0.970 0.020 1.090
   Cd C2* H2*2 coval 0.970 0.020 1.090
   Cd C3* H3* coval 0.970 0.020 1.090
   Cd N1 C2 coval 1.399 0.020 1.399
   Cd C2 N3 coval 1.356 0.020 1.356
   Cd N3 C4 coval 1.334 0.020 1.334
   Cd C4 C5 coval 1.426 0.020 1.426
   Cd C5 C6 coval 1.337 0.020 1.337
   Cd C6 N1 coval 1.364 0.020 1.364
   Cd C2 O2 coval 1.237 0.020 1.237
   Cd C4 N4 coval 1.337 0.020 1.337
   Cd N1 C1* coval 1.490 0.030 1.490
   Cd N4 H41 coval 0.860 0.020 1.020
   Cd N4 H42 coval 0.860 0.020 1.020
   Cd C5 H5 coval 0.930 0.020 1.080
   Cd C6 H6 coval 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
   Cd C6 N1 C2 120.600 1.500
   Cd C1* N1 C2 119.700 1.500
   Cd C1* N1 C6 119.700 1.500
   Cd N1 C2 N3 118.900 1.500
   Cd C2 N3 C4 120.000 1.500
   Cd N3 C4 C5 121.800 1.500
   Cd C4 C5 C6 117.600 1.500
   Cd C5 C6 N1 121.000 1.500
   Cd N1 C2 O2 119.200 1.500
   Cd N3 C2 O2 121.900 1.500
   Cd N3 C4 N4 117.900 1.500
   Cd C5 C4 N4 120.300 1.500
   Cd N1 C1* O4* 108.400 1.500
   Cd N1 C1* C2* 113.500 1.500
   Cd C4 N4 H41 120.000 1.500
   Cd C4 N4 H42 120.000 1.500
   Cd H41 N4 H42 120.000 1.500
   Cd C4 C5 H5 121.200 1.500
   Cd C6 C5 H5 121.200 1.500
   Cd C5 C6 H6 119.500 1.500
   Cd N1 C6 H6 119.500 1.500
   Cd O4* C1* C2* 106.400 1.500
   Cd C1* C2* C3* 101.600 1.500
   Cd C2* C3* C4* 102.400 1.500
   Cd C2* C3* O3* 111.500 1.500
   Cd O3* C3* C4* 110.000 1.500
   Cd C3* C4* C5* 114.900 1.500
   Cd C3* C4* O4* 105.400 1.500
   Cd O4* C4* C5* 109.400 1.500
   Cd C4* O4* C1* 109.700 1.500
   Cd C4* C5* O5* 110.800 1.500
   Cd C5* O5* P 120.000 1.500
   Cd O5* P O1P 109.000 3.000
   Cd O5* P O2P 108.000 3.000
   Cd O1P P O2P 120.000 3.000
   Cd O5* C5* H5*1 109.000 1.500
   Cd O5* C5* H5*2 109.000 1.500
   Cd C4* C5* H5*1 109.000 1.500
   Cd C4* C5* H5*2 109.000 1.500
   Cd H5*1 C5* H5*2 109.000 1.500
   Cd C5* C4* H4* 109.000 1.500
   Cd O4* C4* H4* 109.000 1.500
   Cd C3* C4* H4* 109.000 1.500
   Cd O4* C1* H1* 109.000 1.500
   Cd C2* C1* H1* 109.000 1.500
   Cd N1 C1* H1* 109.000 1.500
   Cd C1* C2* H2*1 109.000 1.500
   Cd C1* C2* H2*2 109.000 1.500
   Cd H2*1 C2* H2*2 109.000 1.500
   Cd C4* C3* H3* 109.000 1.500
   Cd C3* C2* H2*1 109.000 1.500
   Cd C3* C2* H2*2 109.000 1.500
   Cd C2* C3* H3* 109.000 1.500
   Cd O3* C3* H3* 109.000 1.500

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
   Cd beta P O5* C5* C4* 170.000 25.000 3
   Cd gamma O5* C5* C4* C3* 55.000 20.000 3
   Cd delta C5* C4* C3* O3* 88.000 30.000 3
   Cd nu0 C4* O4* C1* C2* 13.000 40.000 3
   Cd nu1 O4* C1* C2* C3* -33.000 40.000 3
   Cd nu4 C5* C4* O4* C1* 137.000 40.000 3
   Cd chi O4* C1* N1 C2 30.000 40.000 2
   Cd CONST_01 C1* N1 C2 N3 180.000 0.000 0
   Cd CONST_02 N1 C2 N3 C4 0.000 0.000 0
   Cd CONST_03 C2 N3 C4 C5 0.000 0.000 0
   Cd hh1 N3 C4 N4 H42 0.000 40.000 2
   Cd CONST_04 N3 C4 C5 C6 0.000 0.000 0
   Cd CONST_05 C4 C5 C6 N1 0.000 0.000 0

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
   Cd chir_01 C3* C2* O3* C4* positiv
   Cd chir_02 C4* C3* O4* C5* positiv
   Cd chir_03 C1* N1 O4* C2* positiv
   Cd chir_04 P O5* O1P O2P both

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
   Cd plan N1 0.020
   Cd plan C2 0.020
   Cd plan O2 0.020
   Cd plan N3 0.020
   Cd plan C4 0.020
   Cd plan N4 0.020
   Cd plan C5 0.020
   Cd plan C6 0.020
   Cd plan C1* 0.020
   Cd plan H6 0.020
   Cd plan H5 0.020
   Cd plan2 C4 0.020
   Cd plan2 N4 0.020
   Cd plan2 H41 0.020
   Cd plan2 H42 0.020

loop_
  _chem_comp_plane.comp_id
  _chem_comp_plane.id
   Cd plan
   Cd plan2

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

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

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

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

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

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

