Oxidase modelled from 1GAL

Text for the article

Figure 10.
RIBBON (ref) representation of the 3D model of AO. The FAD group and the tryptophan side chains are shown as purple and yellow ball-and-stick models respectively.
The ref is:
Carson,M., Ribbon models for macromolecules. J.Mol.Graph. 5, 103-106.

Modelling text:
Alcohol oxidase shows little sequence homology with any known PDB file. A BLAST search (ref) revealed a marginal homology with glucose oxidase (~25% sequence identity; PDB file 1gal (ref)). Threading programs such as TOPITS (ref) revealed no other structures that would be a better candidate template file. At this level of sequence identity homology modelling is generally considered difficult. Consequently the sequence alignment had to be optimised by hand. This was done in an iterative manner, using model characteristics such as buried charged residues, too long gap distances, etc., as guidelines. The details of the sequence alignment procedure are available (ref).
The homology modelling of AO using glucose oxidase was performed using the WHAT IF program, using the protocoll as described by Chinea et al. (ref). The WHAT IF homology modelling facility is available as a WWW-based server (ref). Ref BLAST: Altschul, Stephen F., Warren Gish, Webb Miller, Eugene W. Myers, and David J. Lipman (1990). Basic local alignment search tool. J. Mol. Biol. 215:403-10.

Ref 1gal:

 
JRNL        AUTH   H.J.HECHT,H.M.KALISZ,J.HENDLE,R.D.SCHMID,            1GAL   7
JRNL        AUTH 2 D.SCHOMBURG                                          1GAL   8
JRNL        TITL   CRYSTAL STRUCTURE OF GLUCOSE OXIDASE FROM            1GAL   9
JRNL        TITL 2 ASPERGILLUS NIGER:  REFINED AT 2.3 ANGSTROMS         1GAL  10
JRNL        TITL 3 RESOLUTION                                           1GAL  11
JRNL        REF    J.MOL.BIOL.                   V. 229   153 1993      1GAL  12
JRNL        REFN   ASTM JMOBAK  UK ISSN 0022-2836                  070  1GAL  13

ref TOPITS:
B Rost: TOPITS: Threading One-dimensional Predictions Into Three-dimensional Structures. In: C Rawlings, D Clark, R Altman, L Hunter, T Lengauer & S Wodak (eds.) "The third international conference on Intelligent Systems for Molecular Biology (ISMB)", Cambridge, U.K., Jul 16-19, 1995, Menlo Park, CA: AAAI Press, 1995, 314-321.

alignment details ref:
/service/gal/

Ref for the modelling server:
Homollogy modelling, model and software evaluation: three related resources. R.Rodriguez, G.Chinea, N.Lopez, T,Pons, G.Vriend CABIOS (1998) In Press.

The underlying alignment

I have aligned AO against 1gal.pdb, the structurefile that at this moment looks most like AO. Not all sequences agree at all times between databases, but that is more an administrative than a scientific problem.
The missing parts in the model indicate that loop insertions at that position could not be modelled reliably. The original alignment

De accession nr van alcohol oxidase (embl): X02425
                  glucose oxidase(genbank): J05242

HPOX (Hansenula polymorpha alcohol oxidase).
Total number of residues: 664.

GLUOX.(Aspergillus niger glucose oxidase)
Total number of residues: 583.

Comparison matrix  : Structure-genetic matrix.
Open gap cost      : 10
Unit gap cost      : 2

The character to show that two aligned residues are identical is '|'
HPOX      - MAIPDE-------------FDIIVVGGGSTGCCIAGRLANLDDQNLTVAL -37
                                | |  ||| ||   | ||      |  |  
GLUOX     - SNGIEASLLTDPKDVSGRTVDYIIAGGGLTGLTTAARLT--ENPNISVLV -48

HPOX      - IEGGENNINNPWVYLPGVYPRNMRLDSKTATFYSSRPSKALNGRRAIVPC -87
            || |                      |     |      | |   |    
GLUOX     - IESG-SYESDRGPIIEDLNAYGDIFGSSVDHAYET-VELATNNQTALIRS -96

HPOX      - ANILGGGSSINFLMYTRASASDYDDWES----EGWSTDELLPLIKKIETY -133
             | |||    |    ||      | ||     |||  |         |  
GLUOX     - GNGLGGSTLVNGGTWTRPHKAQVDSWETVFGNEGWNWDNVAAYSLQAER- -145

HPOX      - QRPCNNRDL----------HGFDGPIKVSF---GNYTYPTCQDFLRAAES -170
             |  |              ||  |         |    |       | | 
GLUOX     - ARAPNAKQIAAGHYFNASCHGVNGTVHAGPRDTGDDYSPIVKALMSAVED -195

HPOX      - QGIPVVDDLEDFKTSHGAEHWLKWINRDLGRRSDSAHAYVHPTMRNKQSL -220
             | |   |       ||          |  | || |     |       |
GLUOX     - RGVPTKKDFG-CGDPHGVSMFPNTLHEDQVR-SDAAREWLLPNYQ-RPNL -242

HPOX      - FLITSTKCDKVIIEDGKAVAVRTVPMKPLNPKKPVSRTFRARKQIVISCG -270
               |     ||                     |       |        |
GLUOX     - QVLTGQYVGKVLL--SQNGTTPRAVGVEFGTHKGNTHNVYAKHEVLLAAG -290

HPOX      - TISSPLVLQRSGIGAAHHLRSVGVKPIVDLPGVGENFQDHYCFFTPYYVK -320
               ||  |  ||||    |   |    |||| || | ||     |   | 
GLUOX     - SAVSPTILEYSGIGMKSILEPLGIDTVVDLP-VGLNLQDQ----TTATVR -335

HPOX      - PDVPTFDDFVRGDPVAQKAAFDQWYSNKDGPLTTNGIEAGVKIRPTEEEL -370
                           |  | |                         ||  
GLUOX     - SRITSAG--AGQGQAAWFATFNETFGDYSE--KAHELLNTKLEQWAEEAV -381

HPOX      - ATADEDFRRGYAEYFENKPDKPLMHYSVISGFFGDHTKIPNGKFMTMFHF -420
            |              ||  |    |    |  | |               
GLUOX     - ARGGFHNTTALLIQYENYRDWIVNHNVAYSELFLDTAGVASFDVWDLL-- -429

HPOX      - LEYPFSRGFVRITSANPY-DAPDFDPGFLNDERDLWPMVWAYKKSRETAR -469
               || || | |    ||      ||     | ||     |    |    
GLUOX     - ---PFTRGYVHILDKDPYLHHFAYDPQYFLNELDLLGQAAATQLARNIS- -475

HPOX      - RMESFAGEVTSHHPLFKVDSPARARDLDLETCSAYAGPKHLTANLYHGSW -519
                                                         |    
GLUOX     - --------------------------------------NSGAMQTYFAGE -487

HPOX      - TVPIDKPTPKNDFHVTSNQVQLHSDIEYTEEDDEAIVNYIKEHTETTWHC -569
            | | |      |          |    |                    | 
GLUOX     - TIPGDNLAYDADLSAWTEYIPYHFRPNY--------------------HG -517

HPOX      - LGTCSMAPREGSKIAPKGGVLDARLNVYGVQNLKVADLSVCPDNVGCNTY -619
             ||||| | |       ||| |    ||||| | | | |  |        
GLUOX     - VGTCSMMPKEM------GGVVDNAARVYGVQGLRVIDGSIPPTQMSSHVM -561

HPOX      - STALTIGEKAATLVAEDLGYSGSDLDMTIPNFRLGTYEETGLARF -664
                    |      ||                            
GLUOX     - TVFYAMALKISDAILEDYASMQ                        -583


Identity  : 142 (24.36%)
Number of gaps inserted in HPOX: 5
Number of gaps inserted in GLUOX: 16

Glucose oxidase (+ N-terminaal target. signaal!)

>gi|166511 glucose oxidase precursor (EC 1.1.3.4)
MQTLLVSSLVVSLAAALPHYIRSNGIEASLLTDPKDVSGRTVDYIIAGGGLTGLTTAARLTENPNISVLV
IESGSYESDRGPIIEDLNAYGDIFGSSVDHAYETVELATNNQTALIRSGNGLGGSTLVNGGTWTRPHKAQ
VDSWETVFGNEGWNWDNVAAYSLQAERARAPNAKQIAAGHYFNASCHGVNGTVHAGPRDTGDDYSPIVKA
LMSAVEDRGVPTKKDFGCGDPHGVSMFPNTLHEDQVRSDAAREWLLPNYQRPNLQVLTGQYVGKVLLSQN
GTTPRAVGVEFGTHKGNTHNVYAKHEVLLAAGSAVSPTILEYSGIGMKSILEPLGIDTVVDLPVGLNLQD
QTTATVRSRITSAGAGQGQAAWFATFNETFGDYSEKAHELLNTKLEQWAEEAVARGGFHNTTALLIQYEN
YRDWIVNHNVAYSELFLDTAGVASFDVWDLLPFTRGYVHILDKDPYLHHFAYDPQYFLNELDLLGQAAAT
QLARNISNSGAMQTYFAGETIPGDNLAYDADLSAWTEYIPYHFRPNYHGVGTCSMMPKEMGGVVDNAARV
YGVQGLRVIDGSIPPTQMSSHVMTVFYAMALKISDAILEDYASMQ

Hp alcohol oxidase:

>gi|113652|sp|P04841|ALOX_HANPO ALCOHOL OXIDASE (AOX) (METHANOL
>OXIDASE) (MOX)
MAIPDEFDIIVVGGGSTGCCIAGRLANLDDQNLTVALIEGGENNINNPWVYLPGVYPRNMRLDSKTATFY
SSRPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWESEGWSTDELLPLIKKIETYQRPCNNR
DLHGFDGPIKVSFGNYTYPTCQDFLRAAESQGIPVVDDLEDFKTSHGAEHWLKWINRDLGRRSDSAHAYV
HPTMRNKQSLFLITSTKCDKVIIEDGKAVAVRTVPMKPLNPKKPVSRTFRARKQIVISCGTISSPLVLQR
SGIGAAHHLRSVGVKPIVDLPGVGENFQDHYCFFTPYYVKPDVPTFDDFVRGDPVAQKAAFDQWYSNKDG
PLTTNGIEAGVKIRPTEEELATADEDFRRGYAEYFENKPDKPLMHYSVISGFFGDHTKIPNGKFMTMFHF
LEYPFSRGFVRITSANPYDAPDFDPGFLNDERDLWPMVWAYKKSRETARRMESFAGEVTSHHPLFKVDSP
ARARDLDLETCSAYAGPKHLTANLYHGSWTVPIDKPTPKNDFHVTSNQVQLHSDIEYTEEDDEAIVNYIK
EHTETTWHCLGTCSMAPREGSKIAPKGGVLDARLNVYGVQNLKVADLSVCPDNVGCNTYSTALTIGEKAA
TLVAEDLGYSGSDLDMTIPNFRLGTYEETGLARF

'Improved alignment'

First we took the alignment from BLAST:
>P1;1GAL

GIEASLLTDPKDVSGRTVDYIIAGGGLTGLTTAARLT--ENP
NISVLVIESGSYESDRGPIIEDLNAY--GDIFGSSVDHAYET
-VELATNNQTALIRSGNGLGGSTLVNGGTWTRPHKAQVDSWE
TVFGNEGWNWDNVAAYSLQAERARAPNAKQIAAGHYFNASCH
GVNGTVHAGPRDTGDDYSPIVKALMSAVEDRGVPTKKDF-GC
GDPHGVSMFPNTLHEDQVR-SDAAREWLLPNYQ-RPNLQVLT
GQYVGKVLLSQN-GTTPRAVGVE-FGTHKGNTHNVYAKHEVL
LAAGSAVSPTILEYSGIGMKSILEPLGIDTVVDLP-VGLNLQ
DQ----TTATVRSRI-TSAGAGQGQ-AAWFATFNETFGDYSE
KAHELLNTKLEQWA-----EEAVARGGFHNTTALLIQYENYR
DWIVNHNVAYSELFLDTAGVAS---FDVWDLL--PFTRGYVH
ILDKDPYLHHFAYDPQYFLNELDLLGQAAATQLARN

>P1;MODEL

-----------MAIPDEFDIIVVGGGSTGCCIAGRLANLDDQ
NLTVALIEGGE-NNINNPWVYLPGVYPRNMRLDSKTATFYSS
RPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWE
S----EGWSTDELLPLIKKIETYQRPCN---------NRDLH
GFDGPIKVS---FGNYTYPTCQDFLRAAESQGIPVVDDLEDF
KTSHGAEHWLKWINRDLGRRSDSAHAYVHPTMRNKQSLFLIT
STKCDKVIIEDGKAVAVRTVPMKPLNPKKPVSRTFRARKQIV
ISCGTISSPLVLQRSGIGAAHHLRSVGVKPIVDLPGVGENFQ
DHYCFFTPYYVKPDVPTFDDFVRGDPVAQKAAFDQW---YSN
KDGPLTTNGIEAGVKIRPTEEELATADEDFRRGYAEYFENKP
DKPLMHYSVISGFFGDHTKIPNGKFMTMFHFLEYPFSRGFVR
ITSANPY-DAPDFDPGFLNDERDLWPMVWAYKKSRE

This leads to the model pictured below. The long lines indicate bonds over gaps. Obviously, some of these gaps are a bit too long. We therefore corrected the alignment manually to get better closing gaps.

Bad gaps Bad Gaps.

The gap shifting results in:

Good gaps Good Gaps.

Insertions cannot be modelled reliably.

(Be prepared to scroll a lot)
GIEASLLTDPKDVSGRTVDYIIAGGGLTGLTTAARLT--ENPNISVLVIESGSYESDRGPIIEDLNAY--GDIFGSSVDHAYET-VELATNNQTALIRSGNGLGGSTLVNGGTWTRPHKAQVDSWETVFGNEGWNWDNVAAYSLQAERARAPNAKQIAAGHYFNASCHGVNGTVHAGPRDTGDDYSPIVKALMSAVEDRGVPTKKDF-GCGDPHGVSMFPNTLHEDQVR-SDAAREWLLPNYQ-RPNLQVLTGQYVGKVLLSQN-GTTPRAVGVE-FGTHKGNTHNVYAKHEVLLAAGSAVSPTILEYSGIGMKSILEPLGIDTVVDLP-VGLNLQDQ----TTATVRSRI-TSAGAGQGQ-AAWFATFNETFGDYSEKAHELLNTKLEQWA-----EEAVARGGFHNTTALLIQYENYRDWIVNHNVAYSELFLDTAGVAS---FDVWDLL--PFTRGYVHILDKDPYLHHFAYDPQYFLNELDLLGQAAATQLARN
-----------MAIPDEFDIIVVGGGSTGCCIAGRLANLDDQNLTVALIEGGE-NNINNPWVYLPGVYPRNMRLDSKTATFYSSRPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWES----EGWSTDELLPLIKKIETYQRPCN---------NRDLHGFDGPIKVS---FGNYTYPTCQDFLRAAESQGIPVVDDLEDFKTSHGAEHWLKWINRDLGRRSDSAHAYVHPTMRNKQSLFLITSTKCDKVIIEDGKAVAVRTVPMKPLNPKKPVSRTFRARKQIVISCGTISSPLVLQRSGIGAAHHLRSVGVKPIVDLPGVGENFQDHYCFFTPYYVKPDVPTFDDFVRGDPVAQKAAFDQW---YSNKDGPLTTNGIEAGVKIRPTEEELATADEDFRRGYAEYFENKPDKPLMHYSVISGFFGDHTKIPNGKFMTMFHFLEYPFSRGFVRITSANPY-DAPDFDPGFLNDERDLWPMVWAYKKSRE
                                                     XXXX                                                                     XXXXX                     XXXXXXXXXXX              XXXXXXX                                                                                                                                                                                            XXXX                                                                                             ?
GIEASLLTDPKDVSGRTVDYIIAGGGLTGLTTAARLT--ENPNISVLVIESGSYESDRGPIIEDLNAY--GDIFGSSVDHAYET-VELATNNQTALIRSGNGLGGSTLVNGGTWTRPHKAQVDSWETVFGNEGWNWDNVAAYSLQAERARAPNAKQIAAGHYFNASCHGVNGTVHAGPRDTGDDYSPIVKALMSAVEDRGVPTKKDF-GCGDPHGVSMFPNTLHEDQVR-SDAAREWLLPNYQ-RPNLQVLTGQYVGKVLLSQN-GTTPRAVGVE-FGTHKGNTHNVYAKHEVLLAAGSAVSPTILEYSGIGMKSILEPLGIDTVVDLP-VGLNLQDQ----TTATVRSRI-TSAGAGQGQ-AAWFATFNETFGDYSEKAHELLNTKLEQWA-----EEAVARGGFHNTTALLIQYENYRDWIVNHNVAYSELFLDTAGVAS---FDVWDLL--PFTRGYVHILDKDPYLHHFAYDPQYFLNELDLLGQAAATQLARN
-----------MAIPDEFDIIVVGGGSTGCCIAGRLANLDDQNLTVALIEGGENNI-NNPWVYLPGVYPRNMRLDSKTATFYSSRPSKALNGRRAIVPCANILGGGSSINFLMYTRASASDYDDWE----SEGWSTDELLPLIKKIETYQRP---------CNNRDLHGFDGPIKVSFGNY---TYPTCQDFLRAAESQGIPVVDDLEDFKTSHGAEHWLKWINRDLGRRSDSAHAYVHPTMRNKQSLFLITSTKCDKVIIEDGKAVAVRTVPMKPLNPKKPVSRTFRARKQIVISCGTISSPLVLQRSGIGAAHHLRSVGVKPIVDLPGVGENFQDHYCFFTPYYVKPDVPTFDDFVRGDPVAQKAAFDQWY---SNKDGPLTTNGIEAGVKIRPTEEELATADEDFRRGYAEYFENKPDKPLMHYSVISGFFGDHTKIPNGKFMTMFHFLEYPFSRGFVRITSANPY-DAPDFDPGFLNDERDLWPMVWAYKKSRE

This alignment was modelled. The totally rough model is available.
You can view or get this model.
This model is very rough and the cofactors from 1gal are in there (all of them).

Also available is the validation report for 1gal. (At least if you type 1gal in that page). The report for the model is also worth studying, although the Xray specific checks in this model are of very little value.

The modelling process

The modelling protocoll used is described in:

Some notes on the modelling

The numbering scheme of 1gal is used throughout:
    1-  10  GLY  ILE  GLU  ALA  SER    LEU  LEU  THR  ASP  PRO
   11-  20  LYS  ASP  VAL  SER  GLY    ARG  THR  VAL  ASP  TYR
   21-  30  ILE  ILE  ALA  GLY  GLY    GLY  LEU  THR  GLY  LEU
   31-  40  THR  THR  ALA  ALA  ARG    LEU  THR  GLU  ASN  PRO
   41-  50  ASN  ILE  SER  VAL  LEU    VAL  ILE  GLU  SER  GLY
   51-  60  SER  TYR  GLU  SER  ASP    ARG  GLY  PRO  ILE  ILE
   61-  70  GLU  ASP  LEU  ASN  ALA    TYR  GLY  ASP  ILE  PHE
   71-  80  GLY  SER  SER  VAL  ASP    HIS  ALA  TYR  GLU  THR
   81-  90  VAL  GLU  LEU  ALA  THR    ASN  ASN  GLN  THR  ALA
   91- 100  LEU  ILE  ARG  SER  GLY    ASN  GLY  LEU  GLY  GLY
  101- 110  SER  THR  LEU  VAL  ASN    GLY  GLY  THR  TRP  THR
  111- 120  ARG  PRO  HIS  LYS  ALA    GLN  VAL  ASP  SER  TRP
  121- 130  GLU  THR  VAL  PHE  GLY    ASN  GLU  GLY  TRP  ASN
  131- 140  TRP  ASP  ASN  VAL  ALA    ALA  TYR  SER  LEU  GLN
  141- 150  ALA  GLU  ARG  ALA  ARG    ALA  PRO  ASN  ALA  LYS
  151- 160  GLN  ILE  ALA  ALA  GLY    HIS  TYR  PHE  ASN  ALA
  161- 170  SER  CYS  HIS  GLY  VAL    ASN  GLY  THR  VAL  HIS
  171- 180  ALA  GLY  PRO  ARG  ASP    THR  GLY  ASP  ASP  TYR
  181- 190  SER  PRO  ILE  VAL  LYS    ALA  LEU  MET  SER  ALA
  191- 200  VAL  GLU  ASP  ARG  GLY    VAL  PRO  THR  LYS  LYS
  201- 210  ASP  PHE  GLY  CYS  GLY    ASP  PRO  HIS  GLY  VAL
  211- 220  SER  MET  PHE  PRO  ASN    THR  LEU  HIS  GLU  ASP
  221- 230  GLN  VAL  ARG  SER  ASP    ALA  ALA  ARG  GLU  TRP
  231- 240  LEU  LEU  PRO  ASN  TYR    GLN  ARG  PRO  ASN  LEU
  241- 250  GLN  VAL  LEU  THR  GLY    GLN  TYR  VAL  GLY  LYS
  251- 260  VAL  LEU  LEU  SER  GLN    ASN  GLY  THR  THR  PRO
  261- 270  ARG  ALA  VAL  GLY  VAL    GLU  PHE  GLY  THR  HIS
  271- 280  LYS  GLY  ASN  THR  HIS    ASN  VAL  TYR  ALA  LYS
  281- 290  HIS  GLU  VAL  LEU  LEU    ALA  ALA  GLY  SER  ALA
  291- 300  VAL  SER  PRO  THR  ILE    LEU  GLU  TYR  SER  GLY
  301- 310  ILE  GLY  MET  LYS  SER    ILE  LEU  GLU  PRO  LEU
  311- 320  GLY  ILE  ASP  THR  VAL    VAL  ASP  LEU  PRO  VAL
  321- 330  GLY  LEU  ASN  LEU  GLN    ASP  GLN  THR  THR  ALA
  331- 340  THR  VAL  ARG  SER  ARG    ILE  THR  SER  ALA  GLY
  341- 350  ALA  GLY  GLN  GLY  GLN    ALA  ALA  TRP  PHE  ALA
  351- 360  THR  PHE  ASN  GLU  THR    PHE  GLY  ASP  TYR  SER
  361- 370  GLU  LYS  ALA  HIS  GLU    LEU  LEU  ASN  THR  LYS
  371- 380  LEU  GLU  GLN  TRP  ALA    GLU  GLU  ALA  VAL  ALA
  381- 390  ARG  GLY  GLY  PHE  HIS    ASN  THR  THR  ALA  LEU
  391- 400  LEU  ILE  GLN  TYR  GLU    ASN  TYR  ARG  ASP  TRP
  401- 410  ILE  VAL  ASN  HIS  ASN    VAL  ALA  TYR  SER  GLU
  411- 420  LEU  PHE  LEU  ASP  THR    ALA  GLY  VAL  ALA  SER
  421- 430  PHE  ASP  VAL  TRP  ASP    LEU  LEU  PRO  PHE  THR
  431- 440  ARG  GLY  TYR  VAL  HIS    ILE  LEU  ASP  LYS  ASP
  441- 450  PRO  TYR  LEU  HIS  HIS    PHE  ALA  TYR  ASP  PRO
  451- 460  GLN  TYR  PHE  LEU  ASN    GLU  LEU  ASP  LEU  LEU
  461- 470  GLY  GLN  ALA  ALA  ALA    THR  GLN  LEU  ALA  ARG
  471- 480  ASN  ILE  SER  ASN  SER    GLY  ALA  MET  GLN  THR
  481- 490  TYR  PHE  ALA  GLY  GLU    THR  ILE  PRO  GLY  ASP
  491- 500  ASN  LEU  ALA  TYR  ASP    ALA  ASP  LEU  SER  ALA
  501- 510  TRP  THR  GLU  TYR  ILE    PRO  TYR  HIS  PHE  ARG
  511- 520  PRO  ASN  TYR  HIS  GLY    VAL  GLY  THR  CYS  SER
  521- 530  MET  MET  PRO  LYS  GLU    MET  GLY  GLY  VAL  VAL
  531- 540  ASP  ASN  ALA  ALA  ARG    VAL  TYR  GLY  VAL  GLN
  541- 550  GLY  LEU  ARG  VAL  ILE    ASP  GLY  SER  ILE  PRO
  551- 560  PRO  THR  GLN  MET  SER    SER  HIS  VAL  MET  THR
  561- 570  VAL  PHE  TYR  ALA  MET    ALA  LEU  LYS  ILE  SER
  571- 580  ASP  ALA  ILE  LEU  GLU    ASP  TYR  ALA  SER  MET
  581- 581  GLN
 
The numbers of the model shift with respect to 1gal like:                                        

 Res. # :   1 GLY  (   3 )     Set-name:y
 Res. # :   2 ILE  (   4 )     Set-name:y
 Res. # :   3 GLU  (   5 )     Set-name:y
 Res. # :   4 ALA  (   6 )     Set-name:y
 Res. # :   5 SER  (   7 )     Set-name:y
 Res. # :   6 LEU  (   8 )     Set-name:y
 Res. # :   7 LEU  (   9 )     Set-name:y
 Res. # :   8 THR  (  10 )     Set-name:y
 Res. # :   9 ASP  (  11 )     Set-name:y

Contacts with the FAD (assuming that AO and 1gal have the FAD
at the same position):

Column   explanation
  1      number of contact (useless)
  2      serial number van contacterende residue in model
  3      residue numbering 'inherited' van 1gal.pdb
  4      5 atoom in contacterende residue
 6,7,8   FAD
  9      atoom in FAD
 10      contact distance
 11      useless
 12      useless

   1   2   3      4         5       6   7      8         9      10       11            12
   1   12 VAL  (  25 )      C   <> 550 FAD  ( 600 )     AC2   D= 4.531  H-ene=   --   (B-S)
   2   12 VAL  (  25 )      C   <> 550 FAD  ( 600 )     AN3   D= 4.508  H-ene=   --   (B-S)
   3   12 VAL  (  25 )      CG1 <> 550 FAD  ( 600 )     AC6   D= 4.548  H-ene=   --   (S-S)
   4   12 VAL  (  25 )      CG1 <> 550 FAD  ( 600 )     AN1   D= 4.034  H-ene=   --   (S-S)
   5   12 VAL  (  25 )      CG1 <> 550 FAD  ( 600 )     AC2   D= 4.192  H-ene=   --   (S-S)
   6   13 GLY  (  26 )      N   <> 550 FAD  ( 600 )     AC2   D= 3.920  H-ene=   --   (B-S)
   7   13 GLY  (  26 )      N   <> 550 FAD  ( 600 )     AN3   D= 3.741  H-ene=   --   (B-S)
   8   13 GLY  (  26 )      CA  <> 550 FAD  ( 600 )     AC4*  D= 4.040  H-ene=   --   (B-S)
   9   13 GLY  (  26 )      CA  <> 550 FAD  ( 600 )     AO4*  D= 3.480  H-ene=   --   (B-S)
  10   13 GLY  (  26 )      CA  <> 550 FAD  ( 600 )     AC1*  D= 3.898  H-ene=   --   (B-S)
  11   13 GLY  (  26 )      CA  <> 550 FAD  ( 600 )     AN9   D= 4.423  H-ene=   --   (B-S)
  12   13 GLY  (  26 )      CA  <> 550 FAD  ( 600 )     AC2   D= 4.075  H-ene=   --   (B-S)
  13   13 GLY  (  26 )      CA  <> 550 FAD  ( 600 )     AN3   D= 3.424  H-ene=   --   (B-S)
  14   13 GLY  (  26 )      CA  <> 550 FAD  ( 600 )     AC4   D= 4.160  H-ene=   --   (B-S)
  15   13 GLY  (  26 )      C   <> 550 FAD  ( 600 )     AC4*  D= 4.218  H-ene=   --   (B-S)
  16   13 GLY  (  26 )      C   <> 550 FAD  ( 600 )     AO4*  D= 4.172  H-ene=   --   (B-S)
  17   14 GLY  (  27 )      N   <> 550 FAD  ( 600 )     AC4*  D= 4.379  H-ene=   --   (B-S)
  18   14 GLY  (  27 )      N   <> 550 FAD  ( 600 )     AO4*  D= 4.480  H-ene=   --   (B-S)
  19   14 GLY  (  27 )      N   <> 550 FAD  ( 600 )     AO3*  D= 4.430  H-ene=   --   (B-S)
  20   14 GLY  (  27 )      C   <> 550 FAD  ( 600 )     AC4*  D= 4.288  H-ene=   --   (B-S)
  21   14 GLY  (  27 )      C   <> 550 FAD  ( 600 )     AC3*  D= 4.430  H-ene=   --   (B-S)
  22   14 GLY  (  27 )      C   <> 550 FAD  ( 600 )     AO3*  D= 3.639  H-ene=   --   (B-S)
  23   14 GLY  (  27 )      O   <> 550 FAD  ( 600 )     AC3*  D= 4.197  H-ene=   --   (B-S)
  24   14 GLY  (  27 )      O   <> 550 FAD  ( 600 )     AO3*  D= 3.111  H-ene=   --   (B-S)
  25   15 GLY  (  28 )      N   <> 550 FAD  ( 600 )     AO5*  D= 4.071  H-ene=   --   (B-B)
  26   15 GLY  (  28 )      N   <> 550 FAD  ( 600 )     AC4*  D= 3.949  H-ene=   --   (B-S)
  27   15 GLY  (  28 )      N   <> 550 FAD  ( 600 )     AC3*  D= 4.407  H-ene=   --   (B-S)
  28   15 GLY  (  28 )      N   <> 550 FAD  ( 600 )     AO3*  D= 3.935  H-ene=   --   (B-S)
  29   15 GLY  (  28 )      CA  <> 550 FAD  ( 600 )     AP    D= 4.061  H-ene=   --   (B-B)
  30   15 GLY  (  28 )      CA  <> 550 FAD  ( 600 )     AO2   D= 3.625  H-ene=   --   (B-B)
  31   15 GLY  (  28 )      CA  <> 550 FAD  ( 600 )     AO5*  D= 3.272  H-ene=   --   (B-B)
  32   15 GLY  (  28 )      CA  <> 550 FAD  ( 600 )     AC5*  D= 4.239  H-ene=   --   (B-S)
  33   15 GLY  (  28 )      CA  <> 550 FAD  ( 600 )     AC4*  D= 3.921  H-ene=   --   (B-S)
  34   15 GLY  (  28 )      CA  <> 550 FAD  ( 600 )     AC3*  D= 4.226  H-ene=   --   (B-S)
  35   15 GLY  (  28 )      CA  <> 550 FAD  ( 600 )     AO3*  D= 3.845  H-ene=   --   (B-S)
  36   15 GLY  (  28 )      C   <> 550 FAD  ( 600 )     AO2   D= 3.922  H-ene=   --   (B-B)
  37   15 GLY  (  28 )      C   <> 550 FAD  ( 600 )     AO5*  D= 4.209  H-ene=   --   (B-B)
  38   15 GLY  (  28 )      C   <> 550 FAD  ( 600 )      OP1  D= 3.956  H-ene=   --   (B-S)
  39   16 SER  (  29 )      N   <> 550 FAD  ( 600 )     AP    D= 4.192  H-ene=   --   (B-B)
  40   16 SER  (  29 )      N   <> 550 FAD  ( 600 )     AO2   D= 3.256  H-ene=   --   (B-B)
  41   16 SER  (  29 )      N   <> 550 FAD  ( 600 )     AO5*  D= 4.239  H-ene=   --   (B-B)
  42   16 SER  (  29 )      N   <> 550 FAD  ( 600 )      O5*  D= 4.094  H-ene=   --   (B-S)
  43   16 SER  (  29 )      N   <> 550 FAD  ( 600 )      P    D= 4.374  H-ene=   --   (B-S)
  44   16 SER  (  29 )      N   <> 550 FAD  ( 600 )      OP1  D= 3.582  H-ene=   --   (B-S)
  45   16 SER  (  29 )      CA  <> 550 FAD  ( 600 )     AO2   D= 4.289  H-ene=   --   (B-B)
  46   16 SER  (  29 )      CA  <> 550 FAD  ( 600 )      OP1  D= 3.970  H-ene=   --   (B-S)
  47   16 SER  (  29 )      C   <> 550 FAD  ( 600 )      OP1  D= 3.916  H-ene=   --   (B-S)
  48   16 SER  (  29 )      CB  <> 550 FAD  ( 600 )     AO2   D= 4.119  H-ene=   --   (S-B)
  49   16 SER  (  29 )      CB  <> 550 FAD  ( 600 )      C4*  D= 4.035  H-ene=   --   (S-S)
  50   16 SER  (  29 )      CB  <> 550 FAD  ( 600 )      O4*  D= 3.724  H-ene=   --   (S-S)
  51   16 SER  (  29 )      CB  <> 550 FAD  ( 600 )      C5*  D= 4.363  H-ene=   --   (S-S)
  52   16 SER  (  29 )      CB  <> 550 FAD  ( 600 )      O5*  D= 3.327  H-ene=   --   (S-S)
  53   16 SER  (  29 )      CB  <> 550 FAD  ( 600 )      P    D= 4.274  H-ene=   --   (S-S)
  54   16 SER  (  29 )      CB  <> 550 FAD  ( 600 )      OP1  D= 3.851  H-ene=   --   (S-S)
  55   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )     AP    D= 4.073  H-ene=   --   (S-B)
  56   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )     AO2   D= 3.320  H-ene=   --   (S-B)
  57   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )      O3   D= 3.717  H-ene=   --   (S-S)
  58   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )      C4*  D= 3.206  H-ene=   --   (S-S)
  59   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )      O4*  D= 3.124  H-ene=   --   (S-S)
  60   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )      C5*  D= 3.138  H-ene=   --   (S-S)
  61   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )      O5*  D= 1.928  H-ene=   --   (S-S)
  62   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )      P    D= 2.897  H-ene=   --   (S-S)
  63   16 SER  (  29 )      OG  <> 550 FAD  ( 600 )      OP1  D= 2.752  H-ene=   --   (S-S)
  64   17 THR  (  30 )      N   <> 550 FAD  ( 600 )      P    D= 4.315  H-ene=   --   (B-S)
  65   17 THR  (  30 )      N   <> 550 FAD  ( 600 )      OP1  D= 3.066  H-ene=   --   (B-S)
  66   17 THR  (  30 )      CA  <> 550 FAD  ( 600 )      OP1  D= 3.782  H-ene=   --   (B-S)
  67   17 THR  (  30 )      CB  <> 550 FAD  ( 600 )      P    D= 4.601  H-ene=   --   (S-S)
  68   17 THR  (  30 )      CB  <> 550 FAD  ( 600 )      OP1  D= 3.376  H-ene=   --   (S-S)
  69   17 THR  (  30 )      OG1 <> 550 FAD  ( 600 )      P    D= 3.692  H-ene=   --   (S-S)
  70   17 THR  (  30 )      OG1 <> 550 FAD  ( 600 )      OP1  D= 2.385  H-ene=   --   (S-S)
  71   17 THR  (  30 )      CG2 <> 550 FAD  ( 600 )      P    D= 4.424  H-ene=   --   (S-S)
  72   17 THR  (  30 )      CG2 <> 550 FAD  ( 600 )      OP1  D= 3.621  H-ene=   --   (S-S)
  73   36 ILE  (  49 )      C   <> 550 FAD  ( 600 )     AC2   D= 4.066  H-ene=   --   (B-S)
  74   36 ILE  (  49 )      C   <> 550 FAD  ( 600 )     AN3   D= 4.313  H-ene=   --   (B-S)
  75   36 ILE  (  49 )      O   <> 550 FAD  ( 600 )     AC2   D= 3.116  H-ene=   --   (B-S)
  76   36 ILE  (  49 )      O   <> 550 FAD  ( 600 )     AN3   D= 3.363  H-ene=   --   (B-S)
  77   36 ILE  (  49 )      CG2 <> 550 FAD  ( 600 )     AC2   D= 4.532  H-ene=   --   (S-S)
  78   37 GLU  (  50 )      CA  <> 550 FAD  ( 600 )     AC2   D= 4.157  H-ene=   --   (B-S)
  79   37 GLU  (  50 )      CA  <> 550 FAD  ( 600 )     AN3   D= 3.843  H-ene=   --   (B-S)
  80   37 GLU  (  50 )      C   <> 550 FAD  ( 600 )     AC2   D= 4.262  H-ene=   --   (B-S)
  81   37 GLU  (  50 )      C   <> 550 FAD  ( 600 )     AN3   D= 4.064  H-ene=   --   (B-S)
  82   37 GLU  (  50 )      CG  <> 550 FAD  ( 600 )     AO3*  D= 4.590  H-ene=   --   (S-S)
  83   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AO4*  D= 4.540  H-ene=   --   (S-S)
  84   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AC3*  D= 4.103  H-ene=   --   (S-S)
  85   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AO3*  D= 3.421  H-ene=   --   (S-S)
  86   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AC2*  D= 3.941  H-ene=   --   (S-S)
  87   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AO2*  D= 3.509  H-ene=   --   (S-S)
  88   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AC1*  D= 3.471  H-ene=   --   (S-S)
  89   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AN9   D= 4.465  H-ene=   --   (S-S)
  90   37 GLU  (  50 )      CD  <> 550 FAD  ( 600 )     AN3   D= 4.053  H-ene=   --   (S-S)
  91   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AC4*  D= 3.764  H-ene=   --   (S-S)
  92   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AO4*  D= 3.639  H-ene=   --   (S-S)
  93   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AC3*  D= 3.461  H-ene=   --   (S-S)
  94   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AO3*  D= 2.907  H-ene=   --   (S-S)
  95   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AC2*  D= 3.543  H-ene=   --   (S-S)
  96   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AO2*  D= 3.605  H-ene=   --   (S-S)
  97   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AC1*  D= 2.871  H-ene=   --   (S-S)
  98   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AN9   D= 4.034  H-ene=   --   (S-S)
  99   37 GLU  (  50 )      OE1 <> 550 FAD  ( 600 )     AN3   D= 3.664  H-ene=   --   (S-S)
 100   37 GLU  (  50 )      OE2 <> 550 FAD  ( 600 )     AC3*  D= 4.040  H-ene=   --   (S-S)
 101   37 GLU  (  50 )      OE2 <> 550 FAD  ( 600 )     AO3*  D= 3.540  H-ene=   --   (S-S)
 102   37 GLU  (  50 )      OE2 <> 550 FAD  ( 600 )     AC2*  D= 3.521  H-ene=   --   (S-S)
 103   37 GLU  (  50 )      OE2 <> 550 FAD  ( 600 )     AO2*  D= 2.681  H-ene=   --   (S-S)
 104   37 GLU  (  50 )      OE2 <> 550 FAD  ( 600 )     AC1*  D= 3.313  H-ene=   --   (S-S)
 105   37 GLU  (  50 )      OE2 <> 550 FAD  ( 600 )     AN9   D= 4.120  H-ene=   --   (S-S)
 106   37 GLU  (  50 )      OE2 <> 550 FAD  ( 600 )     AN3   D= 4.132  H-ene=   --   (S-S)
 107   38 GLY  (  51 )      N   <> 550 FAD  ( 600 )     AN1   D= 4.489  H-ene=   --   (B-S)
 108   38 GLY  (  51 )      N   <> 550 FAD  ( 600 )     AC2   D= 3.635  H-ene=   --   (B-S)
 109   38 GLY  (  51 )      N   <> 550 FAD  ( 600 )     AN3   D= 3.335  H-ene=   --   (B-S)
 110   38 GLY  (  51 )      N   <> 550 FAD  ( 600 )     AC4   D= 4.080  H-ene=   --   (B-S)
 111   38 GLY  (  51 )      CA  <> 550 FAD  ( 600 )     AC2   D= 4.408  H-ene=   --   (B-S)
 112   38 GLY  (  51 )      CA  <> 550 FAD  ( 600 )     AN3   D= 4.243  H-ene=   --   (B-S)
 113   54 TYR  (  68 )      CE1 <> 550 FAD  ( 600 )      C6   D= 4.345  H-ene=   --   (S-S)
 114   54 TYR  (  68 )      CE1 <> 550 FAD  ( 600 )      C7   D= 4.588  H-ene=   --   (S-S)
 115   54 TYR  (  68 )      CE1 <> 550 FAD  ( 600 )      C7M  D= 4.077  H-ene=   --   (S-S)
 116   54 TYR  (  68 )      CZ  <> 550 FAD  ( 600 )      C6   D= 4.230  H-ene=   --   (S-S)
 117   54 TYR  (  68 )      CZ  <> 550 FAD  ( 600 )      C7M  D= 4.150  H-ene=   --   (S-S)
 118   54 TYR  (  68 )      OH  <> 550 FAD  ( 600 )      C6   D= 3.343  H-ene=   --   (S-S)
 119   54 TYR  (  68 )      OH  <> 550 FAD  ( 600 )      C7   D= 3.740  H-ene=   --   (S-S)
 120   54 TYR  (  68 )      OH  <> 550 FAD  ( 600 )      C7M  D= 3.283  H-ene=   --   (S-S)
 121   66 TYR  (  80 )      OH  <> 550 FAD  ( 600 )     AC8   D= 3.834  H-ene=   --   (S-S)
 122   66 TYR  (  80 )      OH  <> 550 FAD  ( 600 )     AN7   D= 4.005  H-ene=   --   (S-S)
 123   81 PRO  (  95 )      C   <> 550 FAD  ( 600 )      C8M  D= 3.866  H-ene=   --   (B-S)
 124   81 PRO  (  95 )      O   <> 550 FAD  ( 600 )      C8M  D= 2.881  H-ene=   --   (B-S)
 125   81 PRO  (  95 )      CB  <> 550 FAD  ( 600 )      C7M  D= 4.481  H-ene=   --   (S-S)
 126   82 CYS  (  96 )      CA  <> 550 FAD  ( 600 )      C8M  D= 4.386  H-ene=   --   (B-S)
 127   82 CYS  (  96 )      SG  <> 550 FAD  ( 600 )     AO1   D= 3.587  H-ene=   --   (S-B)
 128   83 ALA  (  97 )      C   <> 550 FAD  ( 600 )     AO2*  D= 4.269  H-ene=   --   (B-S)
 129   83 ALA  (  97 )      O   <> 550 FAD  ( 600 )     AC3*  D= 3.655  H-ene=   --   (B-S)
 130   83 ALA  (  97 )      O   <> 550 FAD  ( 600 )     AO3*  D= 3.811  H-ene=   --   (B-S)
 131   83 ALA  (  97 )      O   <> 550 FAD  ( 600 )     AC2*  D= 3.701  H-ene=   --   (B-S)
 132   83 ALA  (  97 )      O   <> 550 FAD  ( 600 )     AO2*  D= 3.443  H-ene=   --   (B-S)
 133   84 ASN  (  98 )      N   <> 550 FAD  ( 600 )     AO2*  D= 4.300  H-ene=   --   (B-S)
 134   84 ASN  (  98 )      CA  <> 550 FAD  ( 600 )     AC2*  D= 4.557  H-ene=   --   (B-S)
 135   84 ASN  (  98 )      CA  <> 550 FAD  ( 600 )     AO2*  D= 3.381  H-ene=   --   (B-S)
 136   84 ASN  (  98 )      C   <> 550 FAD  ( 600 )     AO2*  D= 3.923  H-ene=   --   (B-S)
 137   84 ASN  (  98 )      CB  <> 550 FAD  ( 600 )     AO2*  D= 4.070  H-ene=   --   (S-S)
 138   84 ASN  (  98 )      CG  <> 550 FAD  ( 600 )     AO2*  D= 4.172  H-ene=   --   (S-S)
 139   84 ASN  (  98 )      OD1 <> 550 FAD  ( 600 )     AO2*  D= 3.428  H-ene=   --   (S-S)
 140   85 ILE  (  99 )      N   <> 550 FAD  ( 600 )     AO3*  D= 3.826  H-ene=   --   (B-S)
 141   85 ILE  (  99 )      N   <> 550 FAD  ( 600 )     AO2*  D= 3.721  H-ene=   --   (B-S)
 142   85 ILE  (  99 )      CA  <> 550 FAD  ( 600 )     AO3*  D= 4.401  H-ene=   --   (B-S)
 143   85 ILE  (  99 )      C   <> 550 FAD  ( 600 )     AO3*  D= 3.812  H-ene=   --   (B-S)
 144   85 ILE  (  99 )      O   <> 550 FAD  ( 600 )     AC3*  D= 4.113  H-ene=   --   (B-S)
 145   85 ILE  (  99 )      O   <> 550 FAD  ( 600 )     AO3*  D= 2.777  H-ene=   --   (B-S)
 146   87 GLY  ( 101 )      C   <> 550 FAD  ( 600 )     AO2   D= 4.567  H-ene=   --   (B-B)
 147   88 GLY  ( 102 )      N   <> 550 FAD  ( 600 )     AO2   D= 3.920  H-ene=   --   (B-B)
 148   88 GLY  ( 102 )      N   <> 550 FAD  ( 600 )     AO5*  D= 4.366  H-ene=   --   (B-B)
 149   88 GLY  ( 102 )      N   <> 550 FAD  ( 600 )     AC3*  D= 4.301  H-ene=   --   (B-S)
 150   88 GLY  ( 102 )      N   <> 550 FAD  ( 600 )     AO3*  D= 3.432  H-ene=   --   (B-S)
 151   88 GLY  ( 102 )      CA  <> 550 FAD  ( 600 )     AP    D= 3.617  H-ene=   --   (B-B)
 152   88 GLY  ( 102 )      CA  <> 550 FAD  ( 600 )     AO1   D= 4.117  H-ene=   --   (B-B)
 153   88 GLY  ( 102 )      CA  <> 550 FAD  ( 600 )     AO2   D= 2.863  H-ene=   --   (B-B)
 154   88 GLY  ( 102 )      CA  <> 550 FAD  ( 600 )     AO5*  D= 3.497  H-ene=   --   (B-B)
 155   88 GLY  ( 102 )      CA  <> 550 FAD  ( 600 )     AC4*  D= 4.548  H-ene=   --   (B-S)
 156   88 GLY  ( 102 )      CA  <> 550 FAD  ( 600 )     AC3*  D= 3.786  H-ene=   --   (B-S)
 157   88 GLY  ( 102 )      CA  <> 550 FAD  ( 600 )     AO3*  D= 3.336  H-ene=   --   (B-S)
 158   88 GLY  ( 102 )      C   <> 550 FAD  ( 600 )     AP    D= 4.464  H-ene=   --   (B-B)
 159   88 GLY  ( 102 )      C   <> 550 FAD  ( 600 )     AO1   D= 4.528  H-ene=   --   (B-B)
 160   88 GLY  ( 102 )      C   <> 550 FAD  ( 600 )     AO2   D= 3.768  H-ene=   --   (B-B)
 161   88 GLY  ( 102 )      C   <> 550 FAD  ( 600 )     AO5*  D= 4.585  H-ene=   --   (B-B)
 162   88 GLY  ( 102 )      C   <> 550 FAD  ( 600 )     AC3*  D= 4.533  H-ene=   --   (B-S)
 163   88 GLY  ( 102 )      C   <> 550 FAD  ( 600 )     AO3*  D= 4.121  H-ene=   --   (B-S)
 164   88 GLY  ( 102 )      O   <> 550 FAD  ( 600 )     AO3*  D= 4.196  H-ene=   --   (B-S)
 165   89 GLY  ( 103 )      N   <> 550 FAD  ( 600 )     AP    D= 4.396  H-ene=   --   (B-B)
 166   89 GLY  ( 103 )      N   <> 550 FAD  ( 600 )     AO1   D= 4.253  H-ene=   --   (B-B)
 167   89 GLY  ( 103 )      N   <> 550 FAD  ( 600 )     AO2   D= 3.670  H-ene=   --   (B-B)
 168   89 GLY  ( 103 )      CA  <> 550 FAD  ( 600 )     AP    D= 3.766  H-ene=   --   (B-B)
 169   89 GLY  ( 103 )      CA  <> 550 FAD  ( 600 )     AO1   D= 3.802  H-ene=   --   (B-B)
 170   89 GLY  ( 103 )      CA  <> 550 FAD  ( 600 )     AO2   D= 2.859  H-ene=   --   (B-B)
 171   89 GLY  ( 103 )      CA  <> 550 FAD  ( 600 )      O2*  D= 3.903  H-ene=   --   (B-S)
 172   89 GLY  ( 103 )      CA  <> 550 FAD  ( 600 )      C4*  D= 4.262  H-ene=   --   (B-S)
 173   89 GLY  ( 103 )      CA  <> 550 FAD  ( 600 )      O4*  D= 2.943  H-ene=   --   (B-S)
 174   89 GLY  ( 103 )      C   <> 550 FAD  ( 600 )     AO2   D= 3.938  H-ene=   --   (B-B)
 175   89 GLY  ( 103 )      C   <> 550 FAD  ( 600 )      C2*  D= 4.389  H-ene=   --   (B-S)
 176   89 GLY  ( 103 )      C   <> 550 FAD  ( 600 )      O2*  D= 3.122  H-ene=   --   (B-S)
 177   89 GLY  ( 103 )      C   <> 550 FAD  ( 600 )      C4*  D= 4.258  H-ene=   --   (B-S)
 178   89 GLY  ( 103 )      C   <> 550 FAD  ( 600 )      O4*  D= 2.928  H-ene=   --   (B-S)
 179   89 GLY  ( 103 )      O   <> 550 FAD  ( 600 )      C2*  D= 3.306  H-ene=   --   (B-S)
 180   89 GLY  ( 103 )      O   <> 550 FAD  ( 600 )      O2*  D= 1.958  H-ene=   --   (B-S)
 181   89 GLY  ( 103 )      O   <> 550 FAD  ( 600 )      C3*  D= 3.809  H-ene=   --   (B-S)
 182   89 GLY  ( 103 )      O   <> 550 FAD  ( 600 )      C4*  D= 3.763  H-ene=   --   (B-S)
 183   89 GLY  ( 103 )      O   <> 550 FAD  ( 600 )      O4*  D= 2.682  H-ene=   --   (B-S)
 184   90 SER  ( 104 )      N   <> 550 FAD  ( 600 )      O4*  D= 3.961  H-ene=   --   (B-S)
 185   92 ILE  ( 106 )      CG1 <> 550 FAD  ( 600 )      C7M  D= 4.450  H-ene=   --   (S-S)
 186   92 ILE  ( 106 )      CG1 <> 550 FAD  ( 600 )      C8   D= 4.563  H-ene=   --   (S-S)
 187   92 ILE  ( 106 )      CG1 <> 550 FAD  ( 600 )      C8M  D= 4.070  H-ene=   --   (S-S)
 188   92 ILE  ( 106 )      CD1 <> 550 FAD  ( 600 )      C7M  D= 4.076  H-ene=   --   (S-S)
 189   92 ILE  ( 106 )      CD1 <> 550 FAD  ( 600 )      C8   D= 4.407  H-ene=   --   (S-S)
 190   92 ILE  ( 106 )      CD1 <> 550 FAD  ( 600 )      C8M  D= 3.527  H-ene=   --   (S-S)
 191   93 ASN  ( 107 )      CA  <> 550 FAD  ( 600 )      C4A  D= 4.540  H-ene=   --   (B-S)
 192   93 ASN  ( 107 )      CA  <> 550 FAD  ( 600 )      N5   D= 4.066  H-ene=   --   (B-S)
 193   93 ASN  ( 107 )      CA  <> 550 FAD  ( 600 )      C5A  D= 3.839  H-ene=   --   (B-S)
 194   93 ASN  ( 107 )      CA  <> 550 FAD  ( 600 )      C6   D= 3.740  H-ene=   --   (B-S)
 195   93 ASN  ( 107 )      CA  <> 550 FAD  ( 600 )      C7   D= 4.065  H-ene=   --   (B-S)
 196   93 ASN  ( 107 )      CA  <> 550 FAD  ( 600 )      C9A  D= 4.417  H-ene=   --   (B-S)
 197   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C4   D= 3.992  H-ene=   --   (S-S)
 198   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C4A  D= 3.515  H-ene=   --   (S-S)
 199   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      N5   D= 3.426  H-ene=   --   (S-S)
 200   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C5A  D= 3.294  H-ene=   --   (S-S)
 201   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C6   D= 3.772  H-ene=   --   (S-S)
 202   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C7   D= 4.246  H-ene=   --   (S-S)
 203   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C8   D= 4.432  H-ene=   --   (S-S)
 204   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C9   D= 4.153  H-ene=   --   (S-S)
 205   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C9A  D= 3.548  H-ene=   --   (S-S)
 206   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      N10  D= 3.907  H-ene=   --   (S-S)
 207   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      C10  D= 3.829  H-ene=   --   (S-S)
 208   93 ASN  ( 107 )      CB  <> 550 FAD  ( 600 )      O2*  D= 4.049  H-ene=   --   (S-S)
 209   93 ASN  ( 107 )      CG  <> 550 FAD  ( 600 )      C4   D= 4.237  H-ene=   --   (S-S)
 210   93 ASN  ( 107 )      CG  <> 550 FAD  ( 600 )      C4A  D= 4.161  H-ene=   --   (S-S)
 211   93 ASN  ( 107 )      CG  <> 550 FAD  ( 600 )      N5   D= 4.477  H-ene=   --   (S-S)
 212   93 ASN  ( 107 )      CG  <> 550 FAD  ( 600 )      C10  D= 4.340  H-ene=   --   (S-S)
 213   93 ASN  ( 107 )      ND2 <> 550 FAD  ( 600 )      C10  D= 4.345  H-ene=   --   (S-S)
 214   93 ASN  ( 107 )      ND2 <> 550 FAD  ( 600 )      O2*  D= 3.484  H-ene=   --   (S-S)
 215   94 PHE  ( 108 )      N   <> 550 FAD  ( 600 )      C4   D= 3.987  H-ene=   --   (B-S)
 216   94 PHE  ( 108 )      N   <> 550 FAD  ( 600 )      O4   D= 3.375  H-ene=   --   (B-S)
 217   94 PHE  ( 108 )      N   <> 550 FAD  ( 600 )      C4A  D= 4.272  H-ene=   --   (B-S)
 218   94 PHE  ( 108 )      N   <> 550 FAD  ( 600 )      N5   D= 3.927  H-ene=   --   (B-S)
 219   94 PHE  ( 108 )      N   <> 550 FAD  ( 600 )      C5A  D= 4.472  H-ene=   --   (B-S)
 220   94 PHE  ( 108 )      N   <> 550 FAD  ( 600 )      C6   D= 4.488  H-ene=   --   (B-S)
 221   94 PHE  ( 108 )      CA  <> 550 FAD  ( 600 )      C4   D= 4.592  H-ene=   --   (B-S)
 222   94 PHE  ( 108 )      CA  <> 550 FAD  ( 600 )      O4   D= 3.655  H-ene=   --   (B-S)
 223   94 PHE  ( 108 )      C   <> 550 FAD  ( 600 )      O4   D= 3.779  H-ene=   --   (B-S)
 224   94 PHE  ( 108 )      CB  <> 550 FAD  ( 600 )      C4   D= 4.510  H-ene=   --   (S-S)
 225   94 PHE  ( 108 )      CB  <> 550 FAD  ( 600 )      O4   D= 3.363  H-ene=   --   (S-S)
 226   95 LEU  ( 109 )      N   <> 550 FAD  ( 600 )      C4   D= 4.129  H-ene=   --   (B-S)
 227   95 LEU  ( 109 )      N   <> 550 FAD  ( 600 )      O4   D= 3.538  H-ene=   --   (B-S)
 228   96 MET  ( 110 )      N   <> 550 FAD  ( 600 )      N3   D= 3.582  H-ene=   --   (B-S)
 229   96 MET  ( 110 )      N   <> 550 FAD  ( 600 )      C4   D= 3.843  H-ene=   --   (B-S)
 230   96 MET  ( 110 )      N   <> 550 FAD  ( 600 )      O4   D= 3.319  H-ene=   --   (B-S)
 231   96 MET  ( 110 )      CA  <> 550 FAD  ( 600 )      N3   D= 3.937  H-ene=   --   (B-S)
 232   96 MET  ( 110 )      CA  <> 550 FAD  ( 600 )      C4   D= 4.422  H-ene=   --   (B-S)
 233   96 MET  ( 110 )      CA  <> 550 FAD  ( 600 )      O4   D= 3.951  H-ene=   --   (B-S)
 234   96 MET  ( 110 )      C   <> 550 FAD  ( 600 )      N3   D= 4.017  H-ene=   --   (B-S)
 235   96 MET  ( 110 )      O   <> 550 FAD  ( 600 )      C2   D= 3.779  H-ene=   --   (B-S)
 236   96 MET  ( 110 )      O   <> 550 FAD  ( 600 )      O2   D= 3.331  H-ene=   --   (B-S)
 237   96 MET  ( 110 )      O   <> 550 FAD  ( 600 )      N3   D= 3.275  H-ene=   --   (B-S)
 238   96 MET  ( 110 )      CB  <> 550 FAD  ( 600 )      N3   D= 3.629  H-ene=   --   (S-S)
 239   96 MET  ( 110 )      CB  <> 550 FAD  ( 600 )      C4   D= 3.931  H-ene=   --   (S-S)
 240   96 MET  ( 110 )      CB  <> 550 FAD  ( 600 )      O4   D= 3.396  H-ene=   --   (S-S)
 241  218 THR  ( 248 )      O   <> 550 FAD  ( 600 )     AN1   D= 4.142  H-ene=   --   (B-S)
 242  218 THR  ( 248 )      O   <> 550 FAD  ( 600 )     AC2   D= 3.938  H-ene=   --   (B-S)
 243  219 LYS  ( 249 )      CA  <> 550 FAD  ( 600 )     AC6   D= 4.308  H-ene=   --   (B-S)
 244  219 LYS  ( 249 )      CA  <> 550 FAD  ( 600 )     AN6   D= 4.254  H-ene=   --   (B-S)
 245  219 LYS  ( 249 )      CA  <> 550 FAD  ( 600 )     AN1   D= 3.911  H-ene=   --   (B-S)
 246  219 LYS  ( 249 )      CA  <> 550 FAD  ( 600 )     AC2   D= 4.572  H-ene=   --   (B-S)
 247  219 LYS  ( 249 )      C   <> 550 FAD  ( 600 )     AC6   D= 4.506  H-ene=   --   (B-S)
 248  219 LYS  ( 249 )      C   <> 550 FAD  ( 600 )     AN6   D= 4.283  H-ene=   --   (B-S)
 249  219 LYS  ( 249 )      C   <> 550 FAD  ( 600 )     AN1   D= 4.022  H-ene=   --   (B-S)
 250  219 LYS  ( 249 )      CB  <> 550 FAD  ( 600 )     AN6   D= 4.239  H-ene=   --   (S-S)
 251  219 LYS  ( 249 )      CG  <> 550 FAD  ( 600 )     AN6   D= 4.428  H-ene=   --   (S-S)
 252  220 CYS  ( 250 )      N   <> 550 FAD  ( 600 )     AC6   D= 3.711  H-ene=   --   (B-S)
 253  220 CYS  ( 250 )      N   <> 550 FAD  ( 600 )     AN6   D= 3.546  H-ene=   --   (B-S)
 254  220 CYS  ( 250 )      N   <> 550 FAD  ( 600 )     AN1   D= 3.150  H-ene=   --   (B-S)
 255  220 CYS  ( 250 )      N   <> 550 FAD  ( 600 )     AC2   D= 4.012  H-ene=   --   (B-S)
 256  220 CYS  ( 250 )      CA  <> 550 FAD  ( 600 )     AC6   D= 4.529  H-ene=   --   (B-S)
 257  220 CYS  ( 250 )      CA  <> 550 FAD  ( 600 )     AN6   D= 4.216  H-ene=   --   (B-S)
 258  220 CYS  ( 250 )      CA  <> 550 FAD  ( 600 )     AN1   D= 4.023  H-ene=   --   (B-S)
 259  220 CYS  ( 250 )      C   <> 550 FAD  ( 600 )     AN6   D= 4.024  H-ene=   --   (B-S)
 260  220 CYS  ( 250 )      O   <> 550 FAD  ( 600 )     AC6   D= 4.025  H-ene=   --   (B-S)
 261  220 CYS  ( 250 )      O   <> 550 FAD  ( 600 )     AN6   D= 3.121  H-ene=   --   (B-S)
 262  220 CYS  ( 250 )      CB  <> 550 FAD  ( 600 )     AC6   D= 4.526  H-ene=   --   (S-S)
 263  220 CYS  ( 250 )      CB  <> 550 FAD  ( 600 )     AN6   D= 4.476  H-ene=   --   (S-S)
 264  220 CYS  ( 250 )      CB  <> 550 FAD  ( 600 )     AN1   D= 3.856  H-ene=   --   (S-S)
 265  220 CYS  ( 250 )      CB  <> 550 FAD  ( 600 )     AC2   D= 4.476  H-ene=   --   (S-S)
 266  258 SER  ( 288 )      C   <> 550 FAD  ( 600 )     AC5*  D= 4.339  H-ene=   --   (B-S)
 267  258 SER  ( 288 )      C   <> 550 FAD  ( 600 )     AO4*  D= 4.480  H-ene=   --   (B-S)
 268  258 SER  ( 288 )      O   <> 550 FAD  ( 600 )     AO5*  D= 4.102  H-ene=   --   (B-B)
 269  258 SER  ( 288 )      O   <> 550 FAD  ( 600 )     AC5*  D= 3.401  H-ene=   --   (B-S)
 270  258 SER  ( 288 )      O   <> 550 FAD  ( 600 )     AC4*  D= 3.722  H-ene=   --   (B-S)
 271  258 SER  ( 288 )      O   <> 550 FAD  ( 600 )     AO4*  D= 3.759  H-ene=   --   (B-S)
 272  259 CYS  ( 289 )      N   <> 550 FAD  ( 600 )     AO4*  D= 4.405  H-ene=   --   (B-S)
 273  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AC5*  D= 3.825  H-ene=   --   (B-S)
 274  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AC4*  D= 4.162  H-ene=   --   (B-S)
 275  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AO4*  D= 3.379  H-ene=   --   (B-S)
 276  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AC1*  D= 4.561  H-ene=   --   (B-S)
 277  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AN9   D= 4.209  H-ene=   --   (B-S)
 278  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AC8   D= 4.264  H-ene=   --   (B-S)
 279  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AN7   D= 4.541  H-ene=   --   (B-S)
 280  259 CYS  ( 289 )      CA  <> 550 FAD  ( 600 )     AC4   D= 4.500  H-ene=   --   (B-S)
 281  259 CYS  ( 289 )      C   <> 550 FAD  ( 600 )     AC5*  D= 3.306  H-ene=   --   (B-S)
 282  259 CYS  ( 289 )      C   <> 550 FAD  ( 600 )     AC4*  D= 4.123  H-ene=   --   (B-S)
 283  259 CYS  ( 289 )      C   <> 550 FAD  ( 600 )     AO4*  D= 3.650  H-ene=   --   (B-S)
 284  259 CYS  ( 289 )      C   <> 550 FAD  ( 600 )     AN9   D= 4.570  H-ene=   --   (B-S)
 285  259 CYS  ( 289 )      C   <> 550 FAD  ( 600 )     AC8   D= 4.320  H-ene=   --   (B-S)
 286  259 CYS  ( 289 )      O   <> 550 FAD  ( 600 )     AC5*  D= 3.081  H-ene=   --   (B-S)
 287  259 CYS  ( 289 )      O   <> 550 FAD  ( 600 )     AC4*  D= 3.845  H-ene=   --   (B-S)
 288  259 CYS  ( 289 )      O   <> 550 FAD  ( 600 )     AO4*  D= 3.350  H-ene=   --   (B-S)
 289  259 CYS  ( 289 )      O   <> 550 FAD  ( 600 )     AN9   D= 3.990  H-ene=   --   (B-S)
 290  259 CYS  ( 289 )      O   <> 550 FAD  ( 600 )     AC8   D= 3.520  H-ene=   --   (B-S)
 291  259 CYS  ( 289 )      O   <> 550 FAD  ( 600 )     AN7   D= 4.130  H-ene=   --   (B-S)
 292  259 CYS  ( 289 )      CB  <> 550 FAD  ( 600 )     AO4*  D= 4.094  H-ene=   --   (S-S)
 293  259 CYS  ( 289 )      CB  <> 550 FAD  ( 600 )     AN9   D= 4.134  H-ene=   --   (S-S)
 294  259 CYS  ( 289 )      CB  <> 550 FAD  ( 600 )     AC8   D= 3.960  H-ene=   --   (S-S)
 295  259 CYS  ( 289 )      CB  <> 550 FAD  ( 600 )     AN7   D= 3.781  H-ene=   --   (S-S)
 296  259 CYS  ( 289 )      CB  <> 550 FAD  ( 600 )     AC5   D= 3.840  H-ene=   --   (S-S)
 297  259 CYS  ( 289 )      CB  <> 550 FAD  ( 600 )     AC6   D= 4.361  H-ene=   --   (S-S)
 298  259 CYS  ( 289 )      CB  <> 550 FAD  ( 600 )     AC4   D= 4.085  H-ene=   --   (S-S)
 299  260 GLY  ( 290 )      N   <> 550 FAD  ( 600 )     AC5*  D= 3.854  H-ene=   --   (B-S)
 300  260 GLY  ( 290 )      CA  <> 550 FAD  ( 600 )     AO1   D= 4.592  H-ene=   --   (B-B)
 301  260 GLY  ( 290 )      CA  <> 550 FAD  ( 600 )     AC5*  D= 4.191  H-ene=   --   (B-S)
 302  260 GLY  ( 290 )      CA  <> 550 FAD  ( 600 )      O3   D= 3.962  H-ene=   --   (B-S)
 303  260 GLY  ( 290 )      CA  <> 550 FAD  ( 600 )      P    D= 4.618  H-ene=   --   (B-S)
 304  260 GLY  ( 290 )      CA  <> 550 FAD  ( 600 )      OP2  D= 3.915  H-ene=   --   (B-S)
 305  263 SER  ( 293 )      CB  <> 550 FAD  ( 600 )     AN7   D= 4.086  H-ene=   --   (S-S)
 306  263 SER  ( 293 )      OG  <> 550 FAD  ( 600 )     AN7   D= 3.954  H-ene=   --   (S-S)
 307  481 TYR  ( 515 )      C   <> 550 FAD  ( 600 )      C9   D= 4.513  H-ene=   --   (B-S)
 308  481 TYR  ( 515 )      O   <> 550 FAD  ( 600 )      C8   D= 3.978  H-ene=   --   (B-S)
 309  481 TYR  ( 515 )      O   <> 550 FAD  ( 600 )      C9   D= 3.461  H-ene=   --   (B-S)
 310  481 TYR  ( 515 )      O   <> 550 FAD  ( 600 )      C9A  D= 3.986  H-ene=   --   (B-S)
 311  481 TYR  ( 515 )      O   <> 550 FAD  ( 600 )      C1*  D= 4.069  H-ene=   --   (B-S)
 312  481 TYR  ( 515 )      CB  <> 550 FAD  ( 600 )      C7   D= 4.000  H-ene=   --   (S-S)
 313  481 TYR  ( 515 )      CB  <> 550 FAD  ( 600 )      C7M  D= 4.295  H-ene=   --   (S-S)
 314  481 TYR  ( 515 )      CB  <> 550 FAD  ( 600 )      C8   D= 3.662  H-ene=   --   (S-S)
 315  481 TYR  ( 515 )      CB  <> 550 FAD  ( 600 )      C8M  D= 3.685  H-ene=   --   (S-S)
 316  481 TYR  ( 515 )      CB  <> 550 FAD  ( 600 )      C9   D= 4.119  H-ene=   --   (S-S)
 317  481 TYR  ( 515 )      CG  <> 550 FAD  ( 600 )      C7   D= 4.195  H-ene=   --   (S-S)
 318  481 TYR  ( 515 )      CG  <> 550 FAD  ( 600 )      C7M  D= 4.036  H-ene=   --   (S-S)
 319  481 TYR  ( 515 )      CG  <> 550 FAD  ( 600 )      C8   D= 4.344  H-ene=   --   (S-S)
 320  481 TYR  ( 515 )      CG  <> 550 FAD  ( 600 )      C8M  D= 4.361  H-ene=   --   (S-S)
 321  481 TYR  ( 515 )      CD2 <> 550 FAD  ( 600 )      C6   D= 4.020  H-ene=   --   (S-S)
 322  481 TYR  ( 515 )      CD2 <> 550 FAD  ( 600 )      C7   D= 3.495  H-ene=   --   (S-S)
 323  481 TYR  ( 515 )      CD2 <> 550 FAD  ( 600 )      C7M  D= 3.121  H-ene=   --   (S-S)
 324  481 TYR  ( 515 )      CD2 <> 550 FAD  ( 600 )      C8   D= 4.114  H-ene=   --   (S-S)
 325  481 TYR  ( 515 )      CD2 <> 550 FAD  ( 600 )      C8M  D= 4.379  H-ene=   --   (S-S)
 326  481 TYR  ( 515 )      CE2 <> 550 FAD  ( 600 )      C7   D= 4.433  H-ene=   --   (S-S)
 327  481 TYR  ( 515 )      CE2 <> 550 FAD  ( 600 )      C7M  D= 3.708  H-ene=   --   (S-S)
 328  482 HIS  ( 516 )      CD2 <> 550 FAD  ( 600 )      C4A  D= 4.514  H-ene=   --   (S-S)
 329  482 HIS  ( 516 )      CD2 <> 550 FAD  ( 600 )      C5A  D= 4.484  H-ene=   --   (S-S)
 330  482 HIS  ( 516 )      CD2 <> 550 FAD  ( 600 )      C9A  D= 4.187  H-ene=   --   (S-S)
 331  482 HIS  ( 516 )      CD2 <> 550 FAD  ( 600 )      N10  D= 3.849  H-ene=   --   (S-S)
 332  482 HIS  ( 516 )      CD2 <> 550 FAD  ( 600 )      C10  D= 4.119  H-ene=   --   (S-S)
 333  482 HIS  ( 516 )      CD2 <> 550 FAD  ( 600 )      C1*  D= 3.969  H-ene=   --   (S-S)
 334  482 HIS  ( 516 )      CE1 <> 550 FAD  ( 600 )      N1   D= 4.274  H-ene=   --   (S-S)
 335  482 HIS  ( 516 )      CE1 <> 550 FAD  ( 600 )      C2   D= 4.544  H-ene=   --   (S-S)
 336  482 HIS  ( 516 )      CE1 <> 550 FAD  ( 600 )      C10  D= 4.294  H-ene=   --   (S-S)
 337  482 HIS  ( 516 )      CE1 <> 550 FAD  ( 600 )      C1*  D= 4.590  H-ene=   --   (S-S)
 338  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      N1   D= 3.747  H-ene=   --   (S-S)
 339  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      C2   D= 4.199  H-ene=   --   (S-S)
 340  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      C4A  D= 3.733  H-ene=   --   (S-S)
 341  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      N5   D= 4.074  H-ene=   --   (S-S)
 342  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      C5A  D= 4.419  H-ene=   --   (S-S)
 343  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      C9A  D= 4.223  H-ene=   --   (S-S)
 344  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      N10  D= 3.561  H-ene=   --   (S-S)
 345  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      C10  D= 3.380  H-ene=   --   (S-S)
 346  482 HIS  ( 516 )      NE2 <> 550 FAD  ( 600 )      C1*  D= 3.856  H-ene=   --   (S-S)
 347  514 ASP  ( 548 )      CA  <> 550 FAD  ( 600 )      P    D= 4.673  H-ene=   --   (B-S)
 348  514 ASP  ( 548 )      CA  <> 550 FAD  ( 600 )      OP2  D= 3.929  H-ene=   --   (B-S)
 349  514 ASP  ( 548 )      C   <> 550 FAD  ( 600 )      OP2  D= 4.034  H-ene=   --   (B-S)
 350  514 ASP  ( 548 )      CB  <> 550 FAD  ( 600 )      P    D= 3.889  H-ene=   --   (S-S)
 351  514 ASP  ( 548 )      CB  <> 550 FAD  ( 600 )      OP1  D= 3.805  H-ene=   --   (S-S)
 352  514 ASP  ( 548 )      CB  <> 550 FAD  ( 600 )      OP2  D= 3.174  H-ene=   --   (S-S)
 353  514 ASP  ( 548 )      CG  <> 550 FAD  ( 600 )      OP2  D= 4.110  H-ene=   --   (S-S)
 354  515 GLY  ( 549 )      N   <> 550 FAD  ( 600 )      P    D= 4.392  H-ene=   --   (B-S)
 355  515 GLY  ( 549 )      N   <> 550 FAD  ( 600 )      OP2  D= 3.154  H-ene=   --   (B-S)
 356  515 GLY  ( 549 )      CA  <> 550 FAD  ( 600 )      OP2  D= 3.969  H-ene=   --   (B-S)
 357  525 HIS  ( 559 )      CA  <> 550 FAD  ( 600 )      C2   D= 4.196  H-ene=   --   (B-S)
 358  525 HIS  ( 559 )      CA  <> 550 FAD  ( 600 )      O2   D= 3.725  H-ene=   --   (B-S)
 359  525 HIS  ( 559 )      C   <> 550 FAD  ( 600 )      C2   D= 4.238  H-ene=   --   (B-S)
 360  525 HIS  ( 559 )      C   <> 550 FAD  ( 600 )      O2   D= 3.457  H-ene=   --   (B-S)
 361  525 HIS  ( 559 )      CB  <> 550 FAD  ( 600 )      C2   D= 3.476  H-ene=   --   (S-S)
 362  525 HIS  ( 559 )      CB  <> 550 FAD  ( 600 )      O2   D= 3.106  H-ene=   --   (S-S)
 363  525 HIS  ( 559 )      CB  <> 550 FAD  ( 600 )      N3   D= 3.578  H-ene=   --   (S-S)
 364  525 HIS  ( 559 )      CB  <> 550 FAD  ( 600 )      C4   D= 4.540  H-ene=   --   (S-S)
 365  525 HIS  ( 559 )      CG  <> 550 FAD  ( 600 )      C2   D= 4.067  H-ene=   --   (S-S)
 366  525 HIS  ( 559 )      CG  <> 550 FAD  ( 600 )      O2   D= 4.099  H-ene=   --   (S-S)
 367  525 HIS  ( 559 )      CG  <> 550 FAD  ( 600 )      N3   D= 3.733  H-ene=   --   (S-S)
 368  525 HIS  ( 559 )      CG  <> 550 FAD  ( 600 )      C4   D= 4.287  H-ene=   --   (S-S)
 369  525 HIS  ( 559 )      ND1 <> 550 FAD  ( 600 )      C2   D= 3.728  H-ene=   --   (S-S)
 370  525 HIS  ( 559 )      ND1 <> 550 FAD  ( 600 )      N3   D= 3.063  H-ene=   --   (S-S)
 371  525 HIS  ( 559 )      ND1 <> 550 FAD  ( 600 )      C4   D= 3.215  H-ene=   --   (S-S)
 372  525 HIS  ( 559 )      ND1 <> 550 FAD  ( 600 )      O4   D= 3.354  H-ene=   --   (S-S)
 373  525 HIS  ( 559 )      ND1 <> 550 FAD  ( 600 )      C4A  D= 4.004  H-ene=   --   (S-S)
 374  525 HIS  ( 559 )      CE1 <> 550 FAD  ( 600 )      N3   D= 4.198  H-ene=   --   (S-S)
 375  525 HIS  ( 559 )      CE1 <> 550 FAD  ( 600 )      C4   D= 4.036  H-ene=   --   (S-S)
 376  525 HIS  ( 559 )      CE1 <> 550 FAD  ( 600 )      O4   D= 3.841  H-ene=   --   (S-S)
 377  526 VAL  ( 560 )      N   <> 550 FAD  ( 600 )      N1   D= 4.353  H-ene=   --   (B-S)
 378  526 VAL  ( 560 )      N   <> 550 FAD  ( 600 )      C2   D= 4.088  H-ene=   --   (B-S)
 379  526 VAL  ( 560 )      N   <> 550 FAD  ( 600 )      O2   D= 3.447  H-ene=   --   (B-S)
 380  526 VAL  ( 560 )      C   <> 550 FAD  ( 600 )      O2   D= 4.063  H-ene=   --   (B-S)
 381  526 VAL  ( 560 )      CG2 <> 550 FAD  ( 600 )      N1   D= 3.990  H-ene=   --   (S-S)
 382  526 VAL  ( 560 )      CG2 <> 550 FAD  ( 600 )      C1*  D= 3.879  H-ene=   --   (S-S)
 383  526 VAL  ( 560 )      CG2 <> 550 FAD  ( 600 )      C2*  D= 4.023  H-ene=   --   (S-S)
 384  526 VAL  ( 560 )      CG2 <> 550 FAD  ( 600 )      C3*  D= 4.189  H-ene=   --   (S-S)
 385  526 VAL  ( 560 )      CG2 <> 550 FAD  ( 600 )      O3*  D= 3.129  H-ene=   --   (S-S)
 386  527 MET  ( 561 )      N   <> 550 FAD  ( 600 )      N1   D= 4.162  H-ene=   --   (B-S)
 387  527 MET  ( 561 )      N   <> 550 FAD  ( 600 )      C2   D= 4.006  H-ene=   --   (B-S)
 388  527 MET  ( 561 )      N   <> 550 FAD  ( 600 )      O2   D= 3.044  H-ene=   --   (B-S)
 389  527 MET  ( 561 )      CA  <> 550 FAD  ( 600 )      O2   D= 3.699  H-ene=   --   (B-S)
 390  527 MET  ( 561 )      CB  <> 550 FAD  ( 600 )      N1   D= 4.391  H-ene=   --   (S-S)
 391  527 MET  ( 561 )      CB  <> 550 FAD  ( 600 )      C2   D= 4.053  H-ene=   --   (S-S)
 392  527 MET  ( 561 )      CB  <> 550 FAD  ( 600 )      O2   D= 3.175  H-ene=   --   (S-S)
 393  527 MET  ( 561 )      CG  <> 550 FAD  ( 600 )      N1   D= 3.647  H-ene=   --   (S-S)
 394  527 MET  ( 561 )      CG  <> 550 FAD  ( 600 )      C2   D= 3.658  H-ene=   --   (S-S)
 395  527 MET  ( 561 )      CG  <> 550 FAD  ( 600 )      O2   D= 3.210  H-ene=   --   (S-S)
 396  527 MET  ( 561 )      CG  <> 550 FAD  ( 600 )      C2*  D= 4.284  H-ene=   --   (S-S)
 397  527 MET  ( 561 )      SD  <> 550 FAD  ( 600 )      N1   D= 4.599  H-ene=   --   (S-S)
 398  527 MET  ( 561 )      SD  <> 550 FAD  ( 600 )      C2   D= 4.495  H-ene=   --   (S-S)
 399  527 MET  ( 561 )      SD  <> 550 FAD  ( 600 )      O2   D= 4.282  H-ene=   --   (S-S)
 400  527 MET  ( 561 )      CE  <> 550 FAD  ( 600 )      N1   D= 4.423  H-ene=   --   (S-S)
 401  527 MET  ( 561 )      CE  <> 550 FAD  ( 600 )      C2   D= 3.865  H-ene=   --   (S-S)
 402  527 MET  ( 561 )      CE  <> 550 FAD  ( 600 )      O2   D= 3.706  H-ene=   --   (S-S)
 403  527 MET  ( 561 )      CE  <> 550 FAD  ( 600 )      N3   D= 3.842  H-ene=   --   (S-S)
 404  530 PHE  ( 564 )      CD2 <> 550 FAD  ( 600 )      C3*  D= 4.557  H-ene=   --   (S-S)
 405  530 PHE  ( 564 )      CD2 <> 550 FAD  ( 600 )      O3*  D= 3.874  H-ene=   --   (S-S)
 406  530 PHE  ( 564 )      CD2 <> 550 FAD  ( 600 )      C4*  D= 4.069  H-ene=   --   (S-S)
 407  530 PHE  ( 564 )      CD2 <> 550 FAD  ( 600 )      C5*  D= 3.804  H-ene=   --   (S-S)
 408  530 PHE  ( 564 )      CD2 <> 550 FAD  ( 600 )      O5*  D= 3.984  H-ene=   --   (S-S)
 409  530 PHE  ( 564 )      CE2 <> 550 FAD  ( 600 )      C3*  D= 4.504  H-ene=   --   (S-S)
 410  530 PHE  ( 564 )      CE2 <> 550 FAD  ( 600 )      O3*  D= 3.525  H-ene=   --   (S-S)
 411  530 PHE  ( 564 )      CE2 <> 550 FAD  ( 600 )      C4*  D= 4.347  H-ene=   --   (S-S)
 412  530 PHE  ( 564 )      CE2 <> 550 FAD  ( 600 )      C5*  D= 3.825  H-ene=   --   (S-S)
 
Numbering in the model:
 
 Res. # :   1 MET  (  14 )     Set-name:x
 Res. # :   2 ALA  (  15 )     Set-name:x
 Res. # :   3 ILE  (  16 )     Set-name:x
 Res. # :   4 PRO  (  17 )     Set-name:x
 Res. # :   5 ASP  (  18 )     Set-name:x
 Res. # :   6 GLU  (  19 )     Set-name:x
 Res. # :   7 PHE  (  20 )     Set-name:x
 Res. # :   8 ASP  (  21 )     Set-name:x
 Res. # :   9 ILE  (  22 )     Set-name:x
 Res. # :  10 ILE  (  23 )     Set-name:x
 Res. # :  11 VAL  (  24 )     Set-name:x
 Res. # :  12 VAL  (  25 )     Set-name:x
 Res. # :  13 GLY  (  26 )     Set-name:x
 Res. # :  14 GLY  (  27 )     Set-name:x
 Res. # :  15 GLY  (  28 )     Set-name:x
 Res. # :  16 SER  (  29 )     Set-name:x
 Res. # :  17 THR  (  30 )     Set-name:x
 Res. # :  18 GLY  (  31 )     Set-name:x
 Res. # :  19 CYS  (  32 )     Set-name:x
 Res. # :  20 CYS  (  33 )     Set-name:x
 Res. # :  21 ILE  (  34 )     Set-name:x
 Res. # :  22 ALA  (  35 )     Set-name:x
 Res. # :  23 GLY  (  36 )     Set-name:x
 Res. # :  24 ARG  (  37 )     Set-name:x
 Res. # :  25 LEU  (  38 )     Set-name:x
 Res. # :  26 ALA  (  39 )     Set-name:x
 Res. # :  27 ASP  (  40 )     Set-name:x
 Res. # :  28 ASP  (  41 )     Set-name:x
 Res. # :  29 GLN  (  42 )     Set-name:x
 Res. # :  30 ASN  (  43 )     Set-name:x
 Res. # :  31 LEU  (  44 )     Set-name:x
 Res. # :  32 THR  (  45 )     Set-name:x
 Res. # :  33 VAL  (  46 )     Set-name:x
 Res. # :  34 ALA  (  47 )     Set-name:x
 Res. # :  35 LEU  (  48 )     Set-name:x
 Res. # :  36 ILE  (  49 )     Set-name:x
 Res. # :  37 GLU  (  50 )     Set-name:x
 Res. # :  38 GLY  (  51 )     Set-name:x
 Res. # :  39 GLY  (  52 )     Set-name:x
 Res. # :  40 GLU  (  53 )     Set-name:x
 Res. # :  41 ASN  (  54 )     Set-name:x
 Res. # :  42 ASN  (  55 )     Set-name:x
 Res. # :  43 ILE  (  56 )     Set-name:x
 Res. # :  44 ASN  (  58 )     Set-name:x
 Res. # :  45 ASN  (  59 )     Set-name:x
 Res. # :  46 PRO  (  60 )     Set-name:x
 Res. # :  47 TRP  (  61 )     Set-name:x
 Res. # :  48 VAL  (  62 )     Set-name:x
 Res. # :  49 TYR  (  63 )     Set-name:x
 Res. # :  50 LEU  (  64 )     Set-name:x
 Res. # :  51 PRO  (  65 )     Set-name:x
 Res. # :  52 GLY  (  66 )     Set-name:x
 Res. # :  53 VAL  (  67 )     Set-name:x
 Res. # :  54 TYR  (  68 )     Set-name:x
 Res. # :  55 ASN  (  69 )     Set-name:x
 Res. # :  56 MET  (  70 )     Set-name:x
 Res. # :  57 ARG  (  71 )     Set-name:x
 Res. # :  58 LEU  (  72 )     Set-name:x
 Res. # :  59 ASP  (  73 )     Set-name:x
 Res. # :  60 SER  (  74 )     Set-name:x
 Res. # :  61 LYS  (  75 )     Set-name:x
 Res. # :  62 THR  (  76 )     Set-name:x
 Res. # :  63 ALA  (  77 )     Set-name:x
 Res. # :  64 THR  (  78 )     Set-name:x
 Res. # :  65 PHE  (  79 )     Set-name:x
 Res. # :  66 TYR  (  80 )     Set-name:x
 Res. # :  67 SER  (  81 )     Set-name:x
 Res. # :  68 SER  (  82 )     Set-name:x
 Res. # :  69 PRO  (  83 )     Set-name:x
 Res. # :  70 SER  (  84 )     Set-name:x
 Res. # :  71 LYS  (  85 )     Set-name:x
 Res. # :  72 ALA  (  86 )     Set-name:x
 Res. # :  73 LEU  (  87 )     Set-name:x
 Res. # :  74 ASN  (  88 )     Set-name:x
 Res. # :  75 GLY  (  89 )     Set-name:x
 Res. # :  76 ARG  (  90 )     Set-name:x
 Res. # :  77 ARG  (  91 )     Set-name:x
 Res. # :  78 ALA  (  92 )     Set-name:x
 Res. # :  79 ILE  (  93 )     Set-name:x
 Res. # :  80 VAL  (  94 )     Set-name:x
 Res. # :  81 PRO  (  95 )     Set-name:x
 Res. # :  82 CYS  (  96 )     Set-name:x
 Res. # :  83 ALA  (  97 )     Set-name:x
 Res. # :  84 ASN  (  98 )     Set-name:x
 Res. # :  85 ILE  (  99 )     Set-name:x
 Res. # :  86 LEU  ( 100 )     Set-name:x
 Res. # :  87 GLY  ( 101 )     Set-name:x
 Res. # :  88 GLY  ( 102 )     Set-name:x
 Res. # :  89 GLY  ( 103 )     Set-name:x
 Res. # :  90 SER  ( 104 )     Set-name:x
 Res. # :  91 SER  ( 105 )     Set-name:x
 Res. # :  92 ILE  ( 106 )     Set-name:x
 Res. # :  93 ASN  ( 107 )     Set-name:x
 Res. # :  94 PHE  ( 108 )     Set-name:x
 Res. # :  95 LEU  ( 109 )     Set-name:x
 Res. # :  96 MET  ( 110 )     Set-name:x
 Res. # :  97 TYR  ( 111 )     Set-name:x
 Res. # :  98 THR  ( 112 )     Set-name:x
 Res. # :  99 ARG  ( 113 )     Set-name:x
 Res. # : 100 ALA  ( 114 )     Set-name:x
 Res. # : 101 SER  ( 115 )     Set-name:x
 Res. # : 102 ALA  ( 116 )     Set-name:x
 Res. # : 103 SER  ( 117 )     Set-name:x
 Res. # : 104 ASP  ( 118 )     Set-name:x
 Res. # : 105 TYR  ( 119 )     Set-name:x
 Res. # : 106 ASP  ( 120 )     Set-name:x
 Res. # : 107 ASP  ( 121 )     Set-name:x
 Res. # : 108 TRP  ( 122 )     Set-name:x
 Res. # : 109 GLU  ( 123 )     Set-name:x
 Res. # : 110 SER  ( 128 )     Set-name:x
 Res. # : 111 GLU  ( 129 )     Set-name:x
 Res. # : 112 GLY  ( 130 )     Set-name:x
 Res. # : 113 TRP  ( 131 )     Set-name:x
 Res. # : 114 SER  ( 132 )     Set-name:x
 Res. # : 115 THR  ( 133 )     Set-name:x
 Res. # : 116 ASP  ( 134 )     Set-name:x
 Res. # : 117 GLU  ( 135 )     Set-name:x
 Res. # : 118 LEU  ( 136 )     Set-name:x
 Res. # : 119 LEU  ( 137 )     Set-name:x
 Res. # : 120 PRO  ( 138 )     Set-name:x
 Res. # : 121 LEU  ( 139 )     Set-name:x
 Res. # : 122 ILE  ( 140 )     Set-name:x
 Res. # : 123 LYS  ( 141 )     Set-name:x
 Res. # : 124 LYS  ( 142 )     Set-name:x
 Res. # : 125 ILE  ( 143 )     Set-name:x
 Res. # : 126 GLU  ( 144 )     Set-name:x
 Res. # : 127 THR  ( 145 )     Set-name:x
 Res. # : 128 TYR  ( 146 )     Set-name:x
 Res. # : 129 GLN  ( 147 )     Set-name:x
 Res. # : 130 ARG  ( 148 )     Set-name:x
 Res. # : 131 PRO  ( 149 )     Set-name:x
 Res. # : 132 CYS  ( 159 )     Set-name:x
 Res. # : 133 ASN  ( 160 )     Set-name:x
 Res. # : 134 ASN  ( 161 )     Set-name:x
 Res. # : 135 ARG  ( 162 )     Set-name:x
 Res. # : 136 ASP  ( 163 )     Set-name:x
 Res. # : 137 LEU  ( 164 )     Set-name:x
 Res. # : 138 HIS  ( 165 )     Set-name:x
 Res. # : 139 GLY  ( 166 )     Set-name:x
 Res. # : 140 PHE  ( 167 )     Set-name:x
 Res. # : 141 ASP  ( 168 )     Set-name:x
 Res. # : 142 GLY  ( 169 )     Set-name:x
 Res. # : 143 PRO  ( 170 )     Set-name:x
 Res. # : 144 ILE  ( 171 )     Set-name:x
 Res. # : 145 LYS  ( 172 )     Set-name:x
 Res. # : 146 VAL  ( 173 )     Set-name:x
 Res. # : 147 SER  ( 174 )     Set-name:x
 Res. # : 148 PHE  ( 175 )     Set-name:x
 Res. # : 149 GLY  ( 176 )     Set-name:x
 Res. # : 150 ASN  ( 177 )     Set-name:x
 Res. # : 151 TYR  ( 178 )     Set-name:x
 Res. # : 152 THR  ( 182 )     Set-name:x
 Res. # : 153 TYR  ( 183 )     Set-name:x
 Res. # : 154 PRO  ( 184 )     Set-name:x
 Res. # : 155 THR  ( 185 )     Set-name:x
 Res. # : 156 CYS  ( 186 )     Set-name:x
 Res. # : 157 GLN  ( 187 )     Set-name:x
 Res. # : 158 ASP  ( 188 )     Set-name:x
 Res. # : 159 PHE  ( 189 )     Set-name:x
 Res. # : 160 LEU  ( 190 )     Set-name:x
 Res. # : 161 ARG  ( 191 )     Set-name:x
 Res. # : 162 ALA  ( 192 )     Set-name:x
 Res. # : 163 ALA  ( 193 )     Set-name:x
 Res. # : 164 GLU  ( 194 )     Set-name:x
 Res. # : 165 SER  ( 195 )     Set-name:x
 Res. # : 166 GLN  ( 196 )     Set-name:x
 Res. # : 167 GLY  ( 197 )     Set-name:x
 Res. # : 168 ILE  ( 198 )     Set-name:x
 Res. # : 169 PRO  ( 199 )     Set-name:x
 Res. # : 170 VAL  ( 200 )     Set-name:x
 Res. # : 171 VAL  ( 201 )     Set-name:x
 Res. # : 172 ASP  ( 202 )     Set-name:x
 Res. # : 173 ASP  ( 203 )     Set-name:x
 Res. # : 174 LEU  ( 204 )     Set-name:x
 Res. # : 175 ASP  ( 205 )     Set-name:x
 Res. # : 176 PHE  ( 206 )     Set-name:x
 Res. # : 177 LYS  ( 207 )     Set-name:x
 Res. # : 178 THR  ( 208 )     Set-name:x
 Res. # : 179 SER  ( 209 )     Set-name:x
 Res. # : 180 HIS  ( 210 )     Set-name:x
 Res. # : 181 GLY  ( 211 )     Set-name:x
 Res. # : 182 ALA  ( 212 )     Set-name:x
 Res. # : 183 GLU  ( 213 )     Set-name:x
 Res. # : 184 HIS  ( 214 )     Set-name:x
 Res. # : 185 TRP  ( 215 )     Set-name:x
 Res. # : 186 LEU  ( 216 )     Set-name:x
 Res. # : 187 LYS  ( 217 )     Set-name:x
 Res. # : 188 TRP  ( 218 )     Set-name:x
 Res. # : 189 ILE  ( 219 )     Set-name:x
 Res. # : 190 ASN  ( 220 )     Set-name:x
 Res. # : 191 ARG  ( 221 )     Set-name:x
 Res. # : 192 ASP  ( 222 )     Set-name:x
 Res. # : 193 LEU  ( 223 )     Set-name:x
 Res. # : 194 GLY  ( 224 )     Set-name:x
 Res. # : 195 ARG  ( 225 )     Set-name:x
 Res. # : 196 SER  ( 226 )     Set-name:x
 Res. # : 197 ASP  ( 227 )     Set-name:x
 Res. # : 198 SER  ( 228 )     Set-name:x
 Res. # : 199 ALA  ( 229 )     Set-name:x
 Res. # : 200 HIS  ( 230 )     Set-name:x
 Res. # : 201 ALA  ( 231 )     Set-name:x
 Res. # : 202 TYR  ( 232 )     Set-name:x
 Res. # : 203 VAL  ( 233 )     Set-name:x
 Res. # : 204 HIS  ( 234 )     Set-name:x
 Res. # : 205 PRO  ( 235 )     Set-name:x
 Res. # : 206 THR  ( 236 )     Set-name:x
 Res. # : 207 MET  ( 237 )     Set-name:x
 Res. # : 208 ARG  ( 238 )     Set-name:x
 Res. # : 209 LYS  ( 239 )     Set-name:x
 Res. # : 210 GLN  ( 240 )     Set-name:x
 Res. # : 211 SER  ( 241 )     Set-name:x
 Res. # : 212 LEU  ( 242 )     Set-name:x
 Res. # : 213 PHE  ( 243 )     Set-name:x
 Res. # : 214 LEU  ( 244 )     Set-name:x
 Res. # : 215 ILE  ( 245 )     Set-name:x
 Res. # : 216 THR  ( 246 )     Set-name:x
 Res. # : 217 SER  ( 247 )     Set-name:x
 Res. # : 218 THR  ( 248 )     Set-name:x
 Res. # : 219 LYS  ( 249 )     Set-name:x
 Res. # : 220 CYS  ( 250 )     Set-name:x
 Res. # : 221 ASP  ( 251 )     Set-name:x
 Res. # : 222 LYS  ( 252 )     Set-name:x
 Res. # : 223 VAL  ( 253 )     Set-name:x
 Res. # : 224 ILE  ( 254 )     Set-name:x
 Res. # : 225 ILE  ( 255 )     Set-name:x
 Res. # : 226 GLU  ( 256 )     Set-name:x
 Res. # : 227 ASP  ( 257 )     Set-name:x
 Res. # : 228 GLY  ( 258 )     Set-name:x
 Res. # : 229 ALA  ( 259 )     Set-name:x
 Res. # : 230 VAL  ( 260 )     Set-name:x
 Res. # : 231 ALA  ( 261 )     Set-name:x
 Res. # : 232 VAL  ( 262 )     Set-name:x
 Res. # : 233 ARG  ( 263 )     Set-name:x
 Res. # : 234 THR  ( 264 )     Set-name:x
 Res. # : 235 VAL  ( 265 )     Set-name:x
 Res. # : 236 PRO  ( 266 )     Set-name:x
 Res. # : 237 MET  ( 267 )     Set-name:x
 Res. # : 238 LYS  ( 268 )     Set-name:x
 Res. # : 239 LEU  ( 269 )     Set-name:x
 Res. # : 240 ASN  ( 270 )     Set-name:x
 Res. # : 241 PRO  ( 271 )     Set-name:x
 Res. # : 242 LYS  ( 272 )     Set-name:x
 Res. # : 243 LYS  ( 273 )     Set-name:x
 Res. # : 244 PRO  ( 274 )     Set-name:x
 Res. # : 245 VAL  ( 275 )     Set-name:x
 Res. # : 246 SER  ( 276 )     Set-name:x
 Res. # : 247 ARG  ( 277 )     Set-name:x
 Res. # : 248 THR  ( 278 )     Set-name:x
 Res. # : 249 PHE  ( 279 )     Set-name:x
 Res. # : 250 ARG  ( 280 )     Set-name:x
 Res. # : 251 ALA  ( 281 )     Set-name:x
 Res. # : 252 ARG  ( 282 )     Set-name:x
 Res. # : 253 LYS  ( 283 )     Set-name:x
 Res. # : 254 GLN  ( 284 )     Set-name:x
 Res. # : 255 ILE  ( 285 )     Set-name:x
 Res. # : 256 VAL  ( 286 )     Set-name:x
 Res. # : 257 ILE  ( 287 )     Set-name:x
 Res. # : 258 SER  ( 288 )     Set-name:x
 Res. # : 259 CYS  ( 289 )     Set-name:x
 Res. # : 260 GLY  ( 290 )     Set-name:x
 Res. # : 261 THR  ( 291 )     Set-name:x
 Res. # : 262 ILE  ( 292 )     Set-name:x
 Res. # : 263 SER  ( 293 )     Set-name:x
 Res. # : 264 SER  ( 294 )     Set-name:x
 Res. # : 265 PRO  ( 295 )     Set-name:x
 Res. # : 266 LEU  ( 296 )     Set-name:x
 Res. # : 267 VAL  ( 297 )     Set-name:x
 Res. # : 268 LEU  ( 298 )     Set-name:x
 Res. # : 269 GLN  ( 299 )     Set-name:x
 Res. # : 270 ARG  ( 300 )     Set-name:x
 Res. # : 271 SER  ( 301 )     Set-name:x
 Res. # : 272 GLY  ( 302 )     Set-name:x
 Res. # : 273 ILE  ( 303 )     Set-name:x
 Res. # : 274 GLY  ( 304 )     Set-name:x
 Res. # : 275 ALA  ( 305 )     Set-name:x
 Res. # : 276 ALA  ( 306 )     Set-name:x
 Res. # : 277 HIS  ( 307 )     Set-name:x
 Res. # : 278 HIS  ( 308 )     Set-name:x
 Res. # : 279 LEU  ( 309 )     Set-name:x
 Res. # : 280 ARG  ( 310 )     Set-name:x
 Res. # : 281 SER  ( 311 )     Set-name:x
 Res. # : 282 VAL  ( 312 )     Set-name:x
 Res. # : 283 GLY  ( 313 )     Set-name:x
 Res. # : 284 VAL  ( 314 )     Set-name:x
 Res. # : 285 LYS  ( 315 )     Set-name:x
 Res. # : 286 PRO  ( 316 )     Set-name:x
 Res. # : 287 ILE  ( 317 )     Set-name:x
 Res. # : 288 VAL  ( 318 )     Set-name:x
 Res. # : 289 ASP  ( 319 )     Set-name:x
 Res. # : 290 LEU  ( 320 )     Set-name:x
 Res. # : 291 PRO  ( 321 )     Set-name:x
 Res. # : 292 VAL  ( 322 )     Set-name:x
 Res. # : 293 GLY  ( 323 )     Set-name:x
 Res. # : 294 GLU  ( 324 )     Set-name:x
 Res. # : 295 ASN  ( 325 )     Set-name:x
 Res. # : 296 PHE  ( 326 )     Set-name:x
 Res. # : 297 GLN  ( 327 )     Set-name:x
 Res. # : 298 ASP  ( 328 )     Set-name:x
 Res. # : 299 HIS  ( 329 )     Set-name:x
 Res. # : 300 THR  ( 330 )     Set-name:x
 Res. # : 301 PRO  ( 331 )     Set-name:x
 Res. # : 302 TYR  ( 332 )     Set-name:x
 Res. # : 303 TYR  ( 333 )     Set-name:x
 Res. # : 304 VAL  ( 334 )     Set-name:x
 Res. # : 305 LYS  ( 335 )     Set-name:x
 Res. # : 306 PRO  ( 336 )     Set-name:x
 Res. # : 307 ASP  ( 337 )     Set-name:x
 Res. # : 308 VAL  ( 338 )     Set-name:x
 Res. # : 309 THR  ( 339 )     Set-name:x
 Res. # : 310 PHE  ( 340 )     Set-name:x
 Res. # : 311 ASP  ( 341 )     Set-name:x
 Res. # : 312 ASP  ( 342 )     Set-name:x
 Res. # : 313 PHE  ( 343 )     Set-name:x
 Res. # : 314 VAL  ( 344 )     Set-name:x
 Res. # : 315 ARG  ( 345 )     Set-name:x
 Res. # : 316 GLY  ( 346 )     Set-name:x
 Res. # : 317 ASP  ( 347 )     Set-name:x
 Res. # : 318 VAL  ( 348 )     Set-name:x
 Res. # : 319 ALA  ( 349 )     Set-name:x
 Res. # : 320 GLN  ( 350 )     Set-name:x
 Res. # : 321 LYS  ( 351 )     Set-name:x
 Res. # : 322 ALA  ( 352 )     Set-name:x
 Res. # : 323 ALA  ( 353 )     Set-name:x
 Res. # : 324 PHE  ( 354 )     Set-name:x
 Res. # : 325 ASP  ( 355 )     Set-name:x
 Res. # : 326 GLN  ( 356 )     Set-name:x
 Res. # : 327 TRP  ( 357 )     Set-name:x
 Res. # : 328 TYR  ( 358 )     Set-name:x
 Res. # : 329 SER  ( 362 )     Set-name:x
 Res. # : 330 ASN  ( 363 )     Set-name:x
 Res. # : 331 LYS  ( 364 )     Set-name:x
 Res. # : 332 ASP  ( 365 )     Set-name:x
 Res. # : 333 GLY  ( 366 )     Set-name:x
 Res. # : 334 PRO  ( 367 )     Set-name:x
 Res. # : 335 LEU  ( 368 )     Set-name:x
 Res. # : 336 THR  ( 369 )     Set-name:x
 Res. # : 337 THR  ( 370 )     Set-name:x
 Res. # : 338 ASN  ( 371 )     Set-name:x
 Res. # : 339 GLY  ( 372 )     Set-name:x
 Res. # : 340 ILE  ( 373 )     Set-name:x
 Res. # : 341 GLU  ( 374 )     Set-name:x
 Res. # : 342 ALA  ( 375 )     Set-name:x
 Res. # : 343 GLY  ( 376 )     Set-name:x
 Res. # : 344 VAL  ( 377 )     Set-name:x
 Res. # : 345 GLU  ( 378 )     Set-name:x
 Res. # : 346 GLU  ( 379 )     Set-name:x
 Res. # : 347 GLU  ( 380 )     Set-name:x
 Res. # : 348 LEU  ( 381 )     Set-name:x
 Res. # : 349 ALA  ( 382 )     Set-name:x
 Res. # : 350 THR  ( 383 )     Set-name:x
 Res. # : 351 ALA  ( 384 )     Set-name:x
 Res. # : 352 ASP  ( 385 )     Set-name:x
 Res. # : 353 GLU  ( 386 )     Set-name:x
 Res. # : 354 ASP  ( 387 )     Set-name:x
 Res. # : 355 PHE  ( 388 )     Set-name:x
 Res. # : 356 ARG  ( 389 )     Set-name:x
 Res. # : 357 ARG  ( 390 )     Set-name:x
 Res. # : 358 GLY  ( 391 )     Set-name:x
 Res. # : 359 TYR  ( 392 )     Set-name:x
 Res. # : 360 ALA  ( 393 )     Set-name:x
 Res. # : 361 GLU  ( 394 )     Set-name:x
 Res. # : 362 TYR  ( 395 )     Set-name:x
 Res. # : 363 PHE  ( 396 )     Set-name:x
 Res. # : 364 GLU  ( 397 )     Set-name:x
 Res. # : 365 ASN  ( 398 )     Set-name:x
 Res. # : 366 LYS  ( 399 )     Set-name:x
 Res. # : 367 PRO  ( 400 )     Set-name:x
 Res. # : 368 ASP  ( 401 )     Set-name:x
 Res. # : 369 LYS  ( 402 )     Set-name:x
 Res. # : 370 PRO  ( 403 )     Set-name:x
 Res. # : 371 LEU  ( 404 )     Set-name:x
 Res. # : 372 MET  ( 405 )     Set-name:x
 Res. # : 373 HIS  ( 406 )     Set-name:x
 Res. # : 374 TYR  ( 407 )     Set-name:x
 Res. # : 375 SER  ( 408 )     Set-name:x
 Res. # : 376 VAL  ( 409 )     Set-name:x
 Res. # : 377 ILE  ( 410 )     Set-name:x
 Res. # : 378 SER  ( 411 )     Set-name:x
 Res. # : 379 GLY  ( 412 )     Set-name:x
 Res. # : 380 PHE  ( 413 )     Set-name:x
 Res. # : 381 PHE  ( 414 )     Set-name:x
 Res. # : 382 GLY  ( 415 )     Set-name:x
 Res. # : 383 ASP  ( 416 )     Set-name:x
 Res. # : 384 HIS  ( 417 )     Set-name:x
 Res. # : 385 THR  ( 418 )     Set-name:x
 Res. # : 386 LYS  ( 419 )     Set-name:x
 Res. # : 387 ILE  ( 420 )     Set-name:x
 Res. # : 388 PRO  ( 421 )     Set-name:x
 Res. # : 389 ASN  ( 422 )     Set-name:x
 Res. # : 390 MET  ( 423 )     Set-name:x
 Res. # : 391 THR  ( 424 )     Set-name:x
 Res. # : 392 MET  ( 425 )     Set-name:x
 Res. # : 393 PHE  ( 426 )     Set-name:x
 Res. # : 394 HIS  ( 427 )     Set-name:x
 Res. # : 395 PHE  ( 428 )     Set-name:x
 Res. # : 396 LEU  ( 429 )     Set-name:x
 Res. # : 397 PRO  ( 430 )     Set-name:x
 Res. # : 398 PHE  ( 431 )     Set-name:x
 Res. # : 399 SER  ( 432 )     Set-name:x
 Res. # : 400 ARG  ( 433 )     Set-name:x
 Res. # : 401 GLY  ( 434 )     Set-name:x
 Res. # : 402 PHE  ( 435 )     Set-name:x
 Res. # : 403 VAL  ( 436 )     Set-name:x
 Res. # : 404 ARG  ( 437 )     Set-name:x
 Res. # : 405 ILE  ( 438 )     Set-name:x
 Res. # : 406 THR  ( 439 )     Set-name:x
 Res. # : 407 SER  ( 440 )     Set-name:x
 Res. # : 408 ALA  ( 441 )     Set-name:x
 Res. # : 409 ASN  ( 442 )     Set-name:x
 Res. # : 410 PRO  ( 443 )     Set-name:x
 Res. # : 411 TYR  ( 444 )     Set-name:x
 Res. # : 412 ASP  ( 446 )     Set-name:x
 Res. # : 413 ALA  ( 447 )     Set-name:x
 Res. # : 414 PRO  ( 448 )     Set-name:x
 Res. # : 415 ASP  ( 449 )     Set-name:x
 Res. # : 416 PHE  ( 450 )     Set-name:x
 Res. # : 417 ASP  ( 451 )     Set-name:x
 Res. # : 418 PRO  ( 452 )     Set-name:x
 Res. # : 419 GLY  ( 453 )     Set-name:x
 Res. # : 420 PHE  ( 454 )     Set-name:x
 Res. # : 421 LEU  ( 455 )     Set-name:x
 Res. # : 422 ASN  ( 456 )     Set-name:x
 Res. # : 423 ASP  ( 457 )     Set-name:x
 Res. # : 424 GLU  ( 458 )     Set-name:x
 Res. # : 425 ARG  ( 459 )     Set-name:x
 Res. # : 426 ASP  ( 460 )     Set-name:x
 Res. # : 427 LEU  ( 461 )     Set-name:x
 Res. # : 428 TRP  ( 462 )     Set-name:x
 Res. # : 429 PRO  ( 463 )     Set-name:x
 Res. # : 430 MET  ( 464 )     Set-name:x
 Res. # : 431 VAL  ( 465 )     Set-name:x
 Res. # : 432 TRP  ( 466 )     Set-name:x
 Res. # : 433 ALA  ( 467 )     Set-name:x
 Res. # : 434 TYR  ( 468 )     Set-name:x
 Res. # : 435 LYS  ( 469 )     Set-name:x
 Res. # : 436 LYS  ( 470 )     Set-name:x
 Res. # : 437 SER  ( 471 )     Set-name:x
 Res. # : 438 ARG  ( 472 )     Set-name:x
 Res. # : 439 GLU  ( 473 )     Set-name:x
 Res. # : 440 ILE  ( 474 )     Set-name:x
 Res. # : 441 SER  ( 475 )     Set-name:x
 Res. # : 442 ASN  ( 476 )     Set-name:x
 Res. # : 443 SER  ( 477 )     Set-name:x
 Res. # : 444 GLY  ( 478 )     Set-name:x
 Res. # : 445 ALA  ( 479 )     Set-name:x
 Res. # : 446 MET  ( 480 )     Set-name:x
 Res. # : 447 GLN  ( 481 )     Set-name:x
 Res. # : 448 THR  ( 482 )     Set-name:x
 Res. # : 449 TYR  ( 483 )     Set-name:x
 Res. # : 450 PHE  ( 484 )     Set-name:x
 Res. # : 451 ALA  ( 485 )     Set-name:x
 Res. # : 452 GLY  ( 486 )     Set-name:x
 Res. # : 453 GLU  ( 487 )     Set-name:x
 Res. # : 454 THR  ( 488 )     Set-name:x
 Res. # : 455 ILE  ( 489 )     Set-name:x
 Res. # : 456 PRO  ( 490 )     Set-name:x
 Res. # : 457 GLY  ( 491 )     Set-name:x
 Res. # : 458 ASP  ( 492 )     Set-name:x
 Res. # : 459 ASN  ( 493 )     Set-name:x
 Res. # : 460 LEU  ( 494 )     Set-name:x
 Res. # : 461 ALA  ( 495 )     Set-name:x
 Res. # : 462 TYR  ( 496 )     Set-name:x
 Res. # : 463 ASP  ( 497 )     Set-name:x
 Res. # : 464 ALA  ( 498 )     Set-name:x
 Res. # : 465 ASP  ( 499 )     Set-name:x
 Res. # : 466 LEU  ( 500 )     Set-name:x
 Res. # : 467 SER  ( 501 )     Set-name:x
 Res. # : 468 ALA  ( 502 )     Set-name:x
 Res. # : 469 TRP  ( 503 )     Set-name:x
 Res. # : 470 THR  ( 504 )     Set-name:x
 Res. # : 471 GLU  ( 505 )     Set-name:x
 Res. # : 472 TYR  ( 506 )     Set-name:x
 Res. # : 473 ILE  ( 507 )     Set-name:x
 Res. # : 474 PRO  ( 508 )     Set-name:x
 Res. # : 475 TYR  ( 509 )     Set-name:x
 Res. # : 476 HIS  ( 510 )     Set-name:x
 Res. # : 477 PHE  ( 511 )     Set-name:x
 Res. # : 478 ARG  ( 512 )     Set-name:x
 Res. # : 479 PRO  ( 513 )     Set-name:x
 Res. # : 480 ASN  ( 514 )     Set-name:x
 Res. # : 481 TYR  ( 515 )     Set-name:x
 Res. # : 482 HIS  ( 516 )     Set-name:x
 Res. # : 483 GLY  ( 517 )     Set-name:x
 Res. # : 484 VAL  ( 518 )     Set-name:x
 Res. # : 485 GLY  ( 519 )     Set-name:x
 Res. # : 486 THR  ( 520 )     Set-name:x
 Res. # : 487 CYS  ( 521 )     Set-name:x
 Res. # : 488 SER  ( 522 )     Set-name:x
 Res. # : 489 MET  ( 523 )     Set-name:x
 Res. # : 490 MET  ( 524 )     Set-name:x
 Res. # : 491 PRO  ( 525 )     Set-name:x
 Res. # : 492 LYS  ( 526 )     Set-name:x
 Res. # : 493 GLU  ( 527 )     Set-name:x
 Res. # : 494 MET  ( 528 )     Set-name:x
 Res. # : 495 GLY  ( 529 )     Set-name:x
 Res. # : 496 GLY  ( 530 )     Set-name:x
 Res. # : 497 VAL  ( 531 )     Set-name:x
 Res. # : 498 VAL  ( 532 )     Set-name:x
 Res. # : 499 ASP  ( 533 )     Set-name:x
 Res. # : 500 ASN  ( 534 )     Set-name:x
 Res. # : 501 ALA  ( 535 )     Set-name:x
 Res. # : 502 ALA  ( 536 )     Set-name:x
 Res. # : 503 ARG  ( 537 )     Set-name:x
 Res. # : 504 VAL  ( 538 )     Set-name:x
 Res. # : 505 TYR  ( 539 )     Set-name:x
 Res. # : 506 GLY  ( 540 )     Set-name:x
 Res. # : 507 VAL  ( 541 )     Set-name:x
 Res. # : 508 GLN  ( 542 )     Set-name:x
 Res. # : 509 GLY  ( 543 )     Set-name:x
 Res. # : 510 LEU  ( 544 )     Set-name:x
 Res. # : 511 ARG  ( 545 )     Set-name:x
 Res. # : 512 VAL  ( 546 )     Set-name:x
 Res. # : 513 ILE  ( 547 )     Set-name:x
 Res. # : 514 ASP  ( 548 )     Set-name:x
 Res. # : 515 GLY  ( 549 )     Set-name:x
 Res. # : 516 SER  ( 550 )     Set-name:x
 Res. # : 517 ILE  ( 551 )     Set-name:x
 Res. # : 518 PRO  ( 552 )     Set-name:x
 Res. # : 519 PRO  ( 553 )     Set-name:x
 Res. # : 520 THR  ( 554 )     Set-name:x
 Res. # : 521 GLN  ( 555 )     Set-name:x
 Res. # : 522 MET  ( 556 )     Set-name:x
 Res. # : 523 SER  ( 557 )     Set-name:x
 Res. # : 524 SER  ( 558 )     Set-name:x
 Res. # : 525 HIS  ( 559 )     Set-name:x
 Res. # : 526 VAL  ( 560 )     Set-name:x
 Res. # : 527 MET  ( 561 )     Set-name:x
 Res. # : 528 THR  ( 562 )     Set-name:x
 Res. # : 529 VAL  ( 563 )     Set-name:x
 Res. # : 530 PHE  ( 564 )     Set-name:x
 Res. # : 531 TYR  ( 565 )     Set-name:x
 Res. # : 532 ALA  ( 566 )     Set-name:x
 Res. # : 533 MET  ( 567 )     Set-name:x
 Res. # : 534 ALA  ( 568 )     Set-name:x
 Res. # : 535 LEU  ( 569 )     Set-name:x
 Res. # : 536 LYS  ( 570 )     Set-name:x
 Res. # : 537 ILE  ( 571 )     Set-name:x
 Res. # : 538 SER  ( 572 )     Set-name:x
 Res. # : 539 ASP  ( 573 )     Set-name:x
 Res. # : 540 ALA  ( 574 )     Set-name:x
 Res. # : 541 ILE  ( 575 )     Set-name:x
 Res. # : 542 LEU  ( 576 )     Set-name:x
 Res. # : 543 GLU  ( 577 )     Set-name:x
 Res. # : 544 ASP  ( 578 )     Set-name:x
 Res. # : 545 TYR  ( 579 )     Set-name:x
 Res. # : 546 ALA  ( 580 )     Set-name:x
 Res. # : 547 SER  ( 581 )     Set-name:x
 Res. # : 548 MET  ( 582 )     Set-name:x
 Res. # : 549 GLN  ( 583 )     Set-name:x

Some pictures

Bad gaps

The co-factor in the ribbon.


The right eye view of the Trp s. Postscript.


The left eye view of the Trp s. Postscript.


Trp sTrp sTrp s

This tripple stereo figure is not very good, but is shows nicely that the Trp s cluster.


A ribbon view that could be OK for the publication?


A ribbon view that could be OK for the publication?


A ribbon view that could be OK for the publication?