From: peitsch@ulbio1 ()
Subject: TNFs.gif (Comments)
Organization: University of Lausanne CH (Switzerland)
X-Newsreader: TIN [version 1.1 PL8]
Date: Thu, 24 Dec 1992 10:21:43 GMT



farrah@nwnexus.wa.com@immunex.UUCP  writes:

>From:   NAME: Terry Farrah                  
>        FUNC: Protein Chemistry               
>        TEL: 206-587-0430 x4206               <FARRAH AT A1 AT GENOME>
>To:     UUCP%"peitsch@ncbi.nlm.nih.gov"@MRGATE
>
>
>    Manuel,
>    
>    It was generous of you to post your model for CD40 ligand to the net.  
>    Since we cloned that molecule here at Immunex, it won't be surprising 
>    that we are very interested in your model.  This is the first time I've 
>    seen a molecular model posted to the net.  I'm curious why you are 
>    willing to share your model with the world before publication.  Can you 
>    also post the figure legend for the model (e.g. what are the colored 
>    bands on the ribbon diagram of the monomer?)?  Would you consider 
>    posting alpha-carbon coordinates?  It took us some time to figure out 
>    how to make use of the GIF file.
>    
>    I'm writing to you directly because I currently have no means of 
>    posting (only reading).  I hope others follow your example and that 
>    bionet becomes a forum for sharing interesting models.
>    
        I think that sharing data, AS SOON AS you know they will be 
	published is a good for the advancment of science.  It also
	prevents people from spending time and money on things which 
	have already been done.

>    Sincerely,
>    
>    Terry Farrah, Immunex (farrah@immunex.com)

This is the first time I was posting something to the net.  So I thought
that posting one of my pictures from a recent modelling project would
be a nice way to start.  Nice pictures are in fact just the icing on the
cake, and are only of limited use.  In this case however, the intention
was just to show that CD40L can adopt a trimeric structure, the same way
both known TNF structures do.  Our paper (in Feb. 1993) gives the details
of the modelling procedure and the structural analysis which allow us to
make this hypothesis.  More recently, another group cloned the human CD40L
and found that the expressed molecule with biological activity is in dimeric 
and trimer form.  These data seem to confirm our model.

                     -------------------------


		     Short legend for TNFs.gif

Ribbon models of TNF-alpha, TNF-beta and the ligand of CD40 (CD40L).

Both TNF-alpha and TNF-beta are known to form trimers, as deduced
from crystallographic analysis by S.R. Sprang (1,2).  The structure
of CD40L was derived by knowledge-based molecular modelling using the 
TNF structures as input data (3).
Each chain in the trimer is depicted in another color.
The disulfide bonds in TNF-alpha and CD40L are shown in ball and sticks.
The fourth pannel is a stereo representation of on CD40L monomer.  The color
codes for the residues is given below. 

	  Color code for the monomer of CD40L

	  Color     Residues

	  RED    :  D,E              
	  GREEN  :  A,F,I,L,V        
	  YELLOW :  C,M        
	  BLUE   :  H,K,R        
	  MAGENTA:  N,Q        
	  CYAN   :  G,P        
	  WHITE  :  W        
	  ORANGE :  S,T,Y      


1. Eck-M-J, Sprang-S-R. (1989): The  structure  of  tumor  necrosis 
   factor-alpha at 2.6 A resolution. Implications for receptor binding.
   J.Biol.Chem. 264, 17595-605.

2. Eck-M-J, Ultsch-M, Rinderknecht-E, de-Vos-A-M, Sprang-S-R. (1992):
   The  structure  of  human lymphotoxin (tumor necrosis factor-beta) at
   1.9-A resolution.  J.Biol.Chem. 267, 2119-22.

3. Peitsch-M-C, Jongeneel-C-V. (1993):  International Immunology, in press
   (issue due in February).


                     -------------------------



For those who have problems with the GIF format, here is a site where you can
get a GIF-viewer for SGI's: vab02.larc.nasa.gov

how to operate:

 1. ftp vab02.larc.nasa.gov, login as anonymous/passwd=user@host.domain
 2. binary
 3. cd sgi
 4. get igif2.1.tar.Z
 5. quit
 6. uncompress igif2.1.tar.Z
 7. tar -xvf igif2.1.tar
 8. cd ./igif2.1
 9. make 

 to view a file: igif xxxx.gif

                     -------------------------

CA atom coordinates of the CD40L trimer as submitted to the Brookhaven
Protein DataBank:

ATOM      5  CA  GLY A   1      31.618  48.672  62.763  0.00  0.00
ATOM     10  CA  ASP A   2      33.601  45.787  61.309  0.00  0.00
ATOM     19  CA  GLU A   3      32.647  42.218  60.477  0.00  0.00
ATOM     29  CA  ASP A   4      35.251  40.147  58.597  0.00  0.00
ATOM     38  CA  PRO A   5      38.536  41.421  56.949  0.00  0.00
ATOM     45  CA  GLN A   6      37.258  42.203  53.482  0.00  0.00
ATOM     57  CA  ILE A   7      37.857  45.811  52.368  0.00  0.00
ATOM     66  CA  ALA A   8      34.683  47.818  52.744  0.00  0.00
ATOM     72  CA  ALA A   9      33.555  51.249  51.648  0.00  0.00
ATOM     78  CA  HIS A  10      30.353  53.224  51.577  0.00  0.00
ATOM     90  CA  VAL A  11      30.650  57.065  51.166  0.00  0.00
ATOM     98  CA  VAL A  12      27.835  59.635  50.999  0.00  0.00
ATOM    106  CA  SER A  13      27.565  63.000  49.191  0.00  0.00
ATOM    114  CA  GLU A  14      28.257  65.774  51.686  0.00  0.00
ATOM    124  CA  ALA A  15      25.740  68.528  52.581  0.00  0.00
ATOM    130  CA  ASN A  16      25.526  70.498  49.339  0.00  0.00
ATOM    141  CA  SER A  17      24.719  73.743  51.109  0.00  0.00
ATOM    149  CA  ASN A  18      28.466  73.631  51.974  0.00  0.00
ATOM    160  CA  ALA A  19      29.745  71.737  48.903  0.00  0.00
ATOM    166  CA  ALA A  20      28.365  74.544  46.704  0.00  0.00
ATOM    172  CA  SER A  21      27.661  72.772  43.412  0.00  0.00
ATOM    180  CA  VAL A  22      30.289  70.121  44.334  0.00  0.00
ATOM    188  CA  LEU A  23      30.054  66.319  44.435  0.00  0.00
ATOM    197  CA  GLN A  24      32.028  65.875  47.637  0.00  0.00
ATOM    209  CA  TRP A  25      31.984  62.351  49.004  0.00  0.00
ATOM    225  CA  ALA A  26      32.294  61.965  52.807  0.00  0.00
ATOM    231  CA  LYS A  27      32.442  59.374  55.605  0.00  0.00
ATOM    244  CA  LYS A  28      31.472  59.694  59.401  0.00  0.00
ATOM    257  CA  GLY A  29      27.688  60.040  58.805  0.00  0.00
ATOM    262  CA  TYR A  30      26.370  56.959  60.653  0.00  0.00
ATOM    276  CA  TYR A  31      26.485  54.290  57.872  0.00  0.00
ATOM    290  CA  THR A  32      29.314  55.455  55.628  0.00  0.00
ATOM    299  CA  MET A  33      31.986  52.856  56.265  0.00  0.00
ATOM    308  CA  LYS A  34      35.462  53.753  55.094  0.00  0.00
ATOM    321  CA  SER A  35      37.207  50.853  56.914  0.00  0.00
ATOM    329  CA  ASN A  36      39.646  47.866  56.404  0.00  0.00
ATOM    340  CA  LEU A  37      42.331  49.984  54.837  0.00  0.00
ATOM    349  CA  VAL A  38      39.939  52.185  52.722  0.00  0.00
ATOM    357  CA  MET A  39      41.328  55.522  51.952  0.00  0.00
ATOM    366  CA  LEU A  40      38.811  57.752  50.261  0.00  0.00
ATOM    375  CA  GLU A  41      41.411  60.298  49.146  0.00  0.00
ATOM    385  CA  ASN A  42      43.139  61.142  45.694  0.00  0.00
ATOM    396  CA  GLY A  43      40.595  63.789  44.646  0.00  0.00
ATOM    401  CA  LYS A  44      37.329  62.376  45.856  0.00  0.00
ATOM    414  CA  GLN A  45      38.616  59.057  44.699  0.00  0.00
ATOM    426  CA  LEU A  46      38.476  55.843  46.670  0.00  0.00
ATOM    435  CA  THR A  47      41.831  54.008  46.280  0.00  0.00
ATOM    444  CA  VAL A  48      42.148  50.182  45.921  0.00  0.00
ATOM    452  CA  LYS A  49      44.477  48.149  48.179  0.00  0.00
ATOM    465  CA  ARG A  50      44.232  44.367  47.613  0.00  0.00
ATOM    482  CA  GLU A  51      43.482  42.879  44.164  0.00  0.00
ATOM    492  CA  GLY A  52      40.186  41.194  43.404  0.00  0.00
ATOM    497  CA  LEU A  53      36.536  40.964  42.502  0.00  0.00
ATOM    506  CA  TYR A  54      35.066  44.190  43.955  0.00  0.00
ATOM    520  CA  TYR A  55      31.354  45.059  43.928  0.00  0.00
ATOM    534  CA  VAL A  56      31.235  48.730  43.006  0.00  0.00
ATOM    542  CA  TYR A  57      28.033  50.692  43.214  0.00  0.00
ATOM    556  CA  THR A  58      26.783  54.225  43.071  0.00  0.00
ATOM    565  CA  GLN A  59      23.446  55.959  43.305  0.00  0.00
ATOM    577  CA  VAL A  60      22.293  59.604  42.963  0.00  0.00
ATOM    585  CA  THR A  61      19.130  61.844  42.709  0.00  0.00
ATOM    594  CA  PHE A  62      17.927  65.017  40.874  0.00  0.00
ATOM    606  CA  CYS A  63      15.333  67.810  40.994  0.00  0.00
ATOM    613  CA  SER A  64      14.917  71.079  39.167  0.00  0.00
ATOM    621  CA  ASN A  65      11.904  73.213  39.981  0.00  0.00
ATOM    632  CA  ARG A  66      11.010  73.655  36.318  0.00  0.00
ATOM    649  CA  GLU A  67      12.562  72.515  33.087  0.00  0.00
ATOM    659  CA  PRO A  68      15.106  74.918  31.426  0.00  0.00
ATOM    666  CA  SER A  69      15.923  75.529  27.704  0.00  0.00
ATOM    674  CA  SER A  70      16.078  72.719  25.113  0.00  0.00
ATOM    682  CA  GLN A  71      17.955  69.988  27.036  0.00  0.00
ATOM    694  CA  ARG A  72      19.350  69.174  30.445  0.00  0.00
ATOM    711  CA  PRO A  73      20.463  65.410  30.251  0.00  0.00
ATOM    718  CA  PHE A  74      22.024  64.212  33.461  0.00  0.00
ATOM    730  CA  ILE A  75      25.052  62.055  32.747  0.00  0.00
ATOM    739  CA  VAL A  76      26.437  60.219  35.718  0.00  0.00
ATOM    747  CA  GLY A  77      29.490  57.993  35.420  0.00  0.00
ATOM    752  CA  LEU A  78      32.017  55.915  37.284  0.00  0.00
ATOM    761  CA  TRP A  79      35.620  56.161  36.172  0.00  0.00
ATOM    777  CA  LEU A  80      38.711  54.121  37.057  0.00  0.00
ATOM    786  CA  LYS A  81      42.348  55.163  37.218  0.00  0.00
ATOM    799  CA  PRO A  82      44.830  52.229  37.610  0.00  0.00
ATOM    806  CA  SER A  83      48.259  51.098  36.477  0.00  0.00
ATOM    814  CA  ILE A  84      47.359  52.247  32.919  0.00  0.00
ATOM    823  CA  GLY A  85      47.168  55.746  34.359  0.00  0.00
ATOM    828  CA  SER A  86      44.171  57.181  32.499  0.00  0.00
ATOM    836  CA  GLU A  87      40.611  57.608  33.662  0.00  0.00
ATOM    846  CA  ARG A  88      38.735  54.804  31.987  0.00  0.00
ATOM    863  CA  ILE A  89      34.975  54.407  32.421  0.00  0.00
ATOM    872  CA  LEU A  90      33.478  51.335  34.137  0.00  0.00
ATOM    881  CA  LEU A  91      29.864  52.351  34.786  0.00  0.00
ATOM    890  CA  LYS A  92      27.485  54.909  33.246  0.00  0.00
ATOM    903  CA  ALA A  93      23.971  56.248  33.479  0.00  0.00
ATOM    909  CA  ALA A  94      22.319  58.946  31.374  0.00  0.00
ATOM    915  CA  ASN A  95      18.929  60.566  31.981  0.00  0.00
ATOM    926  CA  THR A  96      16.791  63.201  30.321  0.00  0.00
ATOM    935  CA  HIS A  97      14.951  65.823  32.358  0.00  0.00
ATOM    947  CA  SER A  98      11.325  65.335  31.271  0.00  0.00
ATOM    955  CA  SER A  99       9.460  66.972  28.433  0.00  0.00
ATOM    963  CA  SER A 100       8.280  70.119  30.132  0.00  0.00
ATOM    971  CA  GLN A 101       7.897  69.610  33.884  0.00  0.00
ATOM    983  CA  LEU A 102       8.124  71.341  37.310  0.00  0.00
ATOM    992  CA  CYS A 103      10.334  69.545  39.820  0.00  0.00
ATOM    999  CA  GLU A 104      11.911  67.129  37.432  0.00  0.00
ATOM   1009  CA  GLN A 105      12.556  64.734  40.232  0.00  0.00
ATOM   1021  CA  GLN A 106      14.794  61.976  39.227  0.00  0.00
ATOM   1033  CA  SER A 107      17.137  59.365  40.680  0.00  0.00
ATOM   1041  CA  VAL A 108      19.702  56.965  39.198  0.00  0.00
ATOM   1049  CA  HIS A 109      21.614  53.874  40.225  0.00  0.00
ATOM   1061  CA  LEU A 110      24.774  52.447  38.626  0.00  0.00
ATOM   1070  CA  GLY A 111      26.076  49.049  39.894  0.00  0.00
ATOM   1075  CA  GLY A 112      28.569  46.348  38.831  0.00  0.00
ATOM   1080  CA  VAL A 113      31.273  43.822  39.916  0.00  0.00
ATOM   1088  CA  PHE A 114      34.818  44.790  38.863  0.00  0.00
ATOM   1100  CA  GLU A 115      38.270  43.269  39.088  0.00  0.00
ATOM   1110  CA  LEU A 116      40.330  45.963  40.736  0.00  0.00
ATOM   1119  CA  GLN A 117      44.120  46.167  41.172  0.00  0.00
ATOM   1131  CA  ALA A 118      46.342  47.248  44.115  0.00  0.00
ATOM   1137  CA  GLY A 119      47.097  50.977  43.873  0.00  0.00
ATOM   1142  CA  ALA A 120      44.108  51.838  41.626  0.00  0.00
ATOM   1148  CA  SER A 121      41.771  54.817  42.222  0.00  0.00
ATOM   1156  CA  VAL A 122      37.956  54.759  41.753  0.00  0.00
ATOM   1164  CA  PHE A 123      35.915  57.932  41.172  0.00  0.00
ATOM   1176  CA  VAL A 124      32.247  58.826  40.646  0.00  0.00
ATOM   1184  CA  ASN A 125      31.359  62.049  38.889  0.00  0.00
ATOM   1195  CA  VAL A 126      28.206  63.782  37.619  0.00  0.00
ATOM   1203  CA  THR A 127      28.138  66.353  34.751  0.00  0.00
ATOM   1212  CA  GLU A 128      25.864  68.786  36.631  0.00  0.00
ATOM   1222  CA  ALA A 129      26.467  68.775  40.408  0.00  0.00
ATOM   1228  CA  SER A 130      23.255  70.580  41.456  0.00  0.00
ATOM   1236  CA  GLN A 131      22.067  67.527  43.412  0.00  0.00
ATOM   1248  CA  VAL A 132      19.267  67.438  46.008  0.00  0.00
ATOM   1256  CA  ILE A 133      20.132  67.782  49.738  0.00  0.00
ATOM   1265  CA  HIS A 134      17.353  66.522  52.101  0.00  0.00
ATOM   1277  CA  ARG A 135      17.771  62.796  52.754  0.00  0.00
ATOM   1294  CA  VAL A 136      20.830  60.540  53.501  0.00  0.00
ATOM   1302  CA  GLY A 137      20.582  57.264  51.503  0.00  0.00
ATOM   1307  CA  PHE A 138      20.069  58.957  48.172  0.00  0.00
ATOM   1319  CA  SER A 139      23.409  60.231  46.940  0.00  0.00
ATOM   1327  CA  SER A 140      26.086  57.672  47.599  0.00  0.00
ATOM   1335  CA  PHE A 141      29.146  55.778  46.394  0.00  0.00
ATOM   1347  CA  GLY A 142      30.092  52.298  47.672  0.00  0.00
ATOM   1352  CA  LEU A 143      32.637  49.541  47.237  0.00  0.00
ATOM   1361  CA  LEU A 144      32.938  46.016  48.659  0.00  0.00
ATOM   1370  CA  LYS A 145      35.394  43.132  48.246  0.00  0.00
ATOM   1383  CA  LEU A 146      34.514  39.569  47.250  0.00  0.00
TER    1391      LEU A 146                                        
ATOM   1396  CA  GLY B   1      42.467  38.842  36.500  0.00  0.00
ATOM   1401  CA  ASP B   2      41.285  36.229  38.995  0.00  0.00
ATOM   1410  CA  GLU B   3      41.012  36.365  42.777  0.00  0.00
ATOM   1420  CA  ASP B   4      39.085  33.874  44.876  0.00  0.00
ATOM   1429  CA  PRO B   5      37.587  30.772  43.039  0.00  0.00
ATOM   1436  CA  GLN B   6      33.988  32.045  42.813  0.00  0.00
ATOM   1448  CA  ILE B   7      32.496  31.941  39.290  0.00  0.00
ATOM   1457  CA  ALA B   8      32.545  35.470  37.963  0.00  0.00
ATOM   1463  CA  ALA B   9      31.087  37.015  34.862  0.00  0.00
ATOM   1469  CA  HIS B  10      30.700  40.527  33.563  0.00  0.00
ATOM   1481  CA  VAL B  11      29.910  41.054  29.817  0.00  0.00
ATOM   1489  CA  VAL B  12      29.287  44.290  27.886  0.00  0.00
ATOM   1497  CA  SER B  13      27.147  45.058  24.798  0.00  0.00
ATOM   1505  CA  GLU B  14      29.435  45.131  21.783  0.00  0.00
ATOM   1515  CA  ALA B  15      29.929  48.204  19.536  0.00  0.00
ATOM   1521  CA  ASN B  16      26.505  48.523  17.908  0.00  0.00
ATOM   1532  CA  SER B  17      27.920  50.158  14.804  0.00  0.00
ATOM   1540  CA  ASN B  18      28.869  46.504  14.043  0.00  0.00
ATOM   1551  CA  ALA B  19      26.092  44.679  15.943  0.00  0.00
ATOM   1557  CA  ALA B  20      23.530  46.451  13.734  0.00  0.00
ATOM   1563  CA  SER B  21      20.425  46.592  15.940  0.00  0.00
ATOM   1571  CA  VAL B  22      21.743  43.542  17.878  0.00  0.00
ATOM   1579  CA  LEU B  23      22.228  43.055  21.631  0.00  0.00
ATOM   1588  CA  GLN B  24      25.545  41.257  21.337  0.00  0.00
ATOM   1600  CA  TRP B  25      27.269  40.614  24.640  0.00  0.00
ATOM   1616  CA  ALA B  26      31.115  40.454  24.666  0.00  0.00
ATOM   1622  CA  LYS B  27      34.186  39.951  26.871  0.00  0.00
ATOM   1635  CA  LYS B  28      37.863  41.210  26.298  0.00  0.00
ATOM   1648  CA  GLY B  29      37.059  44.959  26.660  0.00  0.00
ATOM   1653  CA  TYR B  30      39.260  45.818  29.662  0.00  0.00
ATOM   1667  CA  TYR B  31      36.964  44.786  32.565  0.00  0.00
ATOM   1681  CA  THR B  32      34.442  42.384  31.097  0.00  0.00
ATOM   1690  CA  MET B  33      35.189  39.247  33.079  0.00  0.00
ATOM   1699  CA  LYS B  34      34.407  35.815  31.702  0.00  0.00
ATOM   1712  CA  SER B  35      36.554  33.747  34.120  0.00  0.00
ATOM   1720  CA  ASN B  36      36.401  30.805  36.670  0.00  0.00
ATOM   1731  CA  LEU B  37      34.788  28.486  34.161  0.00  0.00
ATOM   1740  CA  VAL B  38      32.354  31.097  32.651  0.00  0.00
ATOM   1748  CA  MET B  39      31.257  30.358  29.192  0.00  0.00
ATOM   1757  CA  LEU B  40      29.284  33.136  27.618  0.00  0.00
ATOM   1766  CA  GLU B  41      27.937  31.052  24.723  0.00  0.00
ATOM   1776  CA  ASN B  42      24.485  29.340  23.860  0.00  0.00
ATOM   1787  CA  GLY B  43      23.141  32.295  21.880  0.00  0.00
ATOM   1792  CA  LYS B  44      24.356  35.267  23.867  0.00  0.00
ATOM   1805  CA  GLN B  45      23.579  33.336  26.979  0.00  0.00
ATOM   1817  CA  LEU B  46      25.862  32.887  29.947  0.00  0.00
ATOM   1826  CA  THR B  47      25.805  29.210  31.074  0.00  0.00
ATOM   1835  CA  VAL B  48      25.864  28.146  34.779  0.00  0.00
ATOM   1843  CA  LYS B  49      28.396  25.602  36.081  0.00  0.00
ATOM   1856  CA  ARG B  50      28.091  25.102  39.868  0.00  0.00
ATOM   1873  CA  GLU B  51      24.673  25.145  41.587  0.00  0.00
ATOM   1883  CA  GLY B  52      24.240  28.104  43.945  0.00  0.00
ATOM   1888  CA  LEU B  53      23.293  31.536  45.168  0.00  0.00
ATOM   1897  CA  TYR B  54      24.304  33.807  42.261  0.00  0.00
ATOM   1911  CA  TYR B  55      23.975  37.608  42.135  0.00  0.00
ATOM   1925  CA  VAL B  56      22.692  38.409  38.659  0.00  0.00
ATOM   1933  CA  TYR B  57      22.579  41.931  37.347  0.00  0.00
ATOM   1947  CA  THR B  58      22.045  43.876  34.183  0.00  0.00
ATOM   1956  CA  GLN B  59      21.952  47.504  33.132  0.00  0.00
ATOM   1968  CA  VAL B  60      21.103  49.126  29.758  0.00  0.00
ATOM   1976  CA  THR B  61      20.484  52.600  28.151  0.00  0.00
ATOM   1985  CA  PHE B  62      18.346  54.391  25.488  0.00  0.00
ATOM   1997  CA  CYS B  63      18.126  57.501  23.288  0.00  0.00
ATOM   2004  CA  SER B  64      15.895  58.440  20.406  0.00  0.00
ATOM   2012  CA  ASN B  65      16.389  61.922  19.026  0.00  0.00
ATOM   2023  CA  ARG B  66      12.693  62.745  19.013  0.00  0.00
ATOM   2040  CA  GLU B  67       9.734  60.725  20.150  0.00  0.00
ATOM   2050  CA  PRO B  68       7.856  58.666  17.441  0.00  0.00
ATOM   2057  CA  SER B  69       4.129  57.731  17.049  0.00  0.00
ATOM   2065  CA  SER B  70       1.981  56.939  20.142  0.00  0.00
ATOM   2073  CA  GLN B  71       4.195  54.547  22.126  0.00  0.00
ATOM   2085  CA  ARG B  72       7.759  53.273  22.319  0.00  0.00
ATOM   2102  CA  PRO B  73       7.837  51.418  25.800  0.00  0.00
ATOM   2109  CA  PHE B  74      11.180  49.854  26.493  0.00  0.00
ATOM   2121  CA  ILE B  75      10.802  46.373  27.859  0.00  0.00
ATOM   2130  CA  VAL B  76      14.005  44.884  29.083  0.00  0.00
ATOM   2138  CA  GLY B  77      14.105  41.463  30.717  0.00  0.00
ATOM   2143  CA  LEU B  78      16.261  38.703  32.092  0.00  0.00
ATOM   2152  CA  TRP B  79      15.292  35.135  31.268  0.00  0.00
ATOM   2168  CA  LEU B  80      16.456  31.724  32.527  0.00  0.00
ATOM   2177  CA  LYS B  81      16.661  28.400  30.734  0.00  0.00
ATOM   2190  CA  PRO B  82      17.472  25.612  33.284  0.00  0.00
ATOM   2197  CA  SER B  83      16.568  21.927  33.792  0.00  0.00
ATOM   2205  CA  ILE B  84      12.927  22.798  32.954  0.00  0.00
ATOM   2214  CA  GLY B  85      14.038  23.667  29.443  0.00  0.00
ATOM   2219  CA  SER B  86      11.922  26.779  28.833  0.00  0.00
ATOM   2227  CA  GLU B  87      12.728  30.450  29.061  0.00  0.00
ATOM   2237  CA  ARG B  88      11.332  31.647  32.346  0.00  0.00
ATOM   2254  CA  ILE B  89      11.617  35.294  33.431  0.00  0.00
ATOM   2263  CA  LEU B  90      13.673  36.191  36.504  0.00  0.00
ATOM   2272  CA  LEU B  91      13.908  39.979  36.208  0.00  0.00
ATOM   2281  CA  LYS B  92      12.065  42.770  34.351  0.00  0.00
ATOM   2294  CA  ALA B  93      12.350  46.453  33.520  0.00  0.00
ATOM   2300  CA  ALA B  94       9.621  48.452  31.744  0.00  0.00
ATOM   2306  CA  ASN B  95       9.993  52.096  30.721  0.00  0.00
ATOM   2317  CA  THR B  96       8.100  54.704  28.747  0.00  0.00
ATOM   2326  CA  HIS B  97       9.792  57.026  26.292  0.00  0.00
ATOM   2338  CA  SER B  98       8.421  60.398  27.500  0.00  0.00
ATOM   2346  CA  SER B  99       5.468  62.551  26.528  0.00  0.00
ATOM   2354  CA  SER B 100       6.765  64.425  23.479  0.00  0.00
ATOM   2362  CA  GLN B 101      10.528  64.753  23.819  0.00  0.00
ATOM   2374  CA  LEU B 102      13.761  65.355  21.841  0.00  0.00
ATOM   2383  CA  CYS B 103      16.447  62.783  22.676  0.00  0.00
ATOM   2390  CA  GLU B 104      14.432  60.474  24.867  0.00  0.00
ATOM   2400  CA  GLN B 105      17.526  59.571  26.812  0.00  0.00
ATOM   2412  CA  GLN B 106      16.876  56.779  29.180  0.00  0.00
ATOM   2424  CA  SER B 107      18.710  54.171  31.250  0.00  0.00
ATOM   2432  CA  VAL B 108      17.621  51.102  33.214  0.00  0.00
ATOM   2440  CA  HIS B 109      19.093  48.692  35.707  0.00  0.00
ATOM   2452  CA  LEU B 110      17.791  45.253  36.765  0.00  0.00
ATOM   2461  CA  GLY B 111      19.397  43.317  39.688  0.00  0.00
ATOM   2466  CA  GLY B 112      18.711  40.233  41.857  0.00  0.00
ATOM   2471  CA  VAL B 113      20.220  37.254  43.776  0.00  0.00
ATOM   2479  CA  PHE B 114      19.118  33.852  42.409  0.00  0.00
ATOM   2491  CA  GLU B 115      19.564  30.140  42.991  0.00  0.00
ATOM   2501  CA  LEU B 116      21.110  28.977  39.740  0.00  0.00
ATOM   2510  CA  GLN B 117      21.819  25.351  38.812  0.00  0.00
ATOM   2522  CA  ALA B 118      24.545  23.332  37.053  0.00  0.00
ATOM   2528  CA  GLY B 119      23.820  23.363  33.317  0.00  0.00
ATOM   2533  CA  ALA B 120      21.476  26.371  33.296  0.00  0.00
ATOM   2539  CA  SER B 121      21.666  29.163  30.678  0.00  0.00
ATOM   2547  CA  VAL B 122      21.053  32.854  31.547  0.00  0.00
ATOM   2555  CA  PHE B 123      20.095  35.486  28.952  0.00  0.00
ATOM   2567  CA  VAL B 124      19.349  39.219  28.861  0.00  0.00
ATOM   2575  CA  ASN B 125      17.205  40.602  26.072  0.00  0.00
ATOM   2586  CA  VAL B 126      15.645  43.957  25.116  0.00  0.00
ATOM   2594  CA  THR B 127      12.513  44.383  22.909  0.00  0.00
ATOM   2603  CA  GLU B 128      14.031  47.165  20.761  0.00  0.00
ATOM   2613  CA  ALA B 129      17.806  46.762  20.308  0.00  0.00
ATOM   2619  CA  SER B 130      18.595  50.280  18.999  0.00  0.00
ATOM   2627  CA  GLN B 131      20.796  51.013  22.024  0.00  0.00
ATOM   2639  CA  VAL B 132      23.306  53.886  22.391  0.00  0.00
ATOM   2647  CA  ILE B 133      27.011  53.369  21.530  0.00  0.00
ATOM   2656  CA  HIS B 134      29.265  56.059  23.120  0.00  0.00
ATOM   2668  CA  ARG B 135      30.356  55.026  26.620  0.00  0.00
ATOM   2685  CA  VAL B 136      31.703  51.734  28.125  0.00  0.00
ATOM   2693  CA  GLY B 137      29.831  50.866  31.393  0.00  0.00
ATOM   2698  CA  PHE B 138      26.424  51.531  29.865  0.00  0.00
ATOM   2710  CA  SER B 139      24.854  48.378  28.603  0.00  0.00
ATOM   2718  CA  SER B 140      26.041  45.342  30.433  0.00  0.00
ATOM   2726  CA  PHE B 141      25.222  41.905  31.802  0.00  0.00
ATOM   2738  CA  GLY B 142      26.926  40.501  34.923  0.00  0.00
ATOM   2743  CA  LEU B 143      26.836  37.422  37.122  0.00  0.00
ATOM   2752  CA  LEU B 144      28.583  36.611  40.405  0.00  0.00
ATOM   2761  CA  LYS B 145      28.627  33.585  42.721  0.00  0.00
ATOM   2774  CA  LEU B 146      28.389  34.095  46.465  0.00  0.00
TER    2782      LEU B 146                                        
ATOM   2787  CA  GLY C   1      17.903  25.619  46.795  0.00  0.00
ATOM   2792  CA  ASP C   2      20.702  26.523  49.216  0.00  0.00
ATOM   2801  CA  GLU C   3      24.428  27.061  48.737  0.00  0.00
ATOM   2811  CA  ASP C   4      26.843  28.139  51.477  0.00  0.00
ATOM   2820  CA  PRO C   5      25.459  29.312  54.944  0.00  0.00
ATOM   2827  CA  GLN C   6      25.226  33.038  54.311  0.00  0.00
ATOM   2839  CA  ILE C   7      21.758  34.453  55.094  0.00  0.00
ATOM   2848  CA  ALA C   8      19.834  34.953  51.885  0.00  0.00
ATOM   2854  CA  ALA C   9      16.535  36.576  51.077  0.00  0.00
ATOM   2860  CA  HIS C  10      14.631  37.529  47.965  0.00  0.00
ATOM   2872  CA  VAL C  11      10.853  38.325  48.175  0.00  0.00
ATOM   2880  CA  VAL C  12       8.412  39.419  45.451  0.00  0.00
ATOM   2888  CA  SER C  13       5.265  41.596  45.595  0.00  0.00
ATOM   2896  CA  GLU C  14       2.256  39.295  45.644  0.00  0.00
ATOM   2906  CA  ALA C  15      -0.474  39.287  42.944  0.00  0.00
ATOM   2912  CA  ASN C  16      -2.099  42.688  43.470  0.00  0.00
ATOM   2923  CA  SER C  17      -5.444  41.496  42.170  0.00  0.00
ATOM   2931  CA  ASN C  18      -5.587  39.939  45.690  0.00  0.00
ATOM   2942  CA  ALA C  19      -3.392  42.410  47.615  0.00  0.00
ATOM   2948  CA  ALA C  20      -5.851  45.181  46.686  0.00  0.00
ATOM   2954  CA  SER C  21      -3.673  48.308  46.692  0.00  0.00
ATOM   2962  CA  VAL C  22      -1.247  46.548  49.107  0.00  0.00
ATOM   2970  CA  LEU C  23       2.531  46.055  48.879  0.00  0.00
ATOM   2979  CA  GLN C  24       2.506  42.482  50.125  0.00  0.00
ATOM   2991  CA  TRP C  25       5.859  40.751  49.915  0.00  0.00
ATOM   3007  CA  ALA C  26       5.821  36.938  49.422  0.00  0.00
ATOM   3013  CA  LYS C  27       8.056  33.875  48.957  0.00  0.00
ATOM   3026  CA  LYS C  28       7.314  30.452  47.162  0.00  0.00
ATOM   3039  CA  GLY C  29       7.127  31.863  43.579  0.00  0.00
ATOM   3044  CA  TYR C  30       9.971  29.934  41.867  0.00  0.00
ATOM   3058  CA  TYR C  31      12.994  32.072  42.898  0.00  0.00
ATOM   3072  CA  THR C  32      11.931  34.105  45.919  0.00  0.00
ATOM   3081  CA  MET C  33      14.379  32.868  48.544  0.00  0.00
ATOM   3090  CA  LYS C  34      13.471  33.073  52.200  0.00  0.00
ATOM   3103  CA  SER C  35      16.184  30.681  53.469  0.00  0.00
ATOM   3111  CA  ASN C  36      19.275  30.341  55.795  0.00  0.00
ATOM   3122  CA  LEU C  37      17.225  31.459  58.758  0.00  0.00
ATOM   3131  CA  VAL C  38      15.298  34.303  56.960  0.00  0.00
ATOM   3139  CA  MET C  39      12.026  35.188  58.457  0.00  0.00
ATOM   3148  CA  LEU C  40      10.022  37.576  56.359  0.00  0.00
ATOM   3157  CA  GLU C  41       7.537  38.533  59.092  0.00  0.00
ATOM   3167  CA  ASN C  42       6.997  41.633  61.468  0.00  0.00
ATOM   3178  CA  GLY C  43       4.599  43.440  59.135  0.00  0.00
ATOM   3183  CA  LYS C  44       6.032  42.748  55.711  0.00  0.00
ATOM   3196  CA  GLN C  45       9.430  43.227  57.194  0.00  0.00
ATOM   3208  CA  LEU C  46      12.394  40.942  56.754  0.00  0.00
ATOM   3217  CA  THR C  47      14.096  40.388  60.160  0.00  0.00
ATOM   3226  CA  VAL C  48      17.931  40.212  60.555  0.00  0.00
ATOM   3234  CA  LYS C  49      19.767  37.385  62.378  0.00  0.00
ATOM   3247  CA  ARG C  50      23.610  37.570  62.232  0.00  0.00
ATOM   3264  CA  GLU C  51      25.480  40.905  62.475  0.00  0.00
ATOM   3274  CA  GLY C  52      27.196  42.010  59.312  0.00  0.00
ATOM   3279  CA  LEU C  53      27.529  43.868  56.075  0.00  0.00
ATOM   3288  CA  TYR C  54      24.371  43.051  54.111  0.00  0.00
ATOM   3302  CA  TYR C  55      23.614  43.852  50.465  0.00  0.00
ATOM   3316  CA  VAL C  56      20.103  45.266  50.486  0.00  0.00
ATOM   3324  CA  TYR C  57      18.244  45.832  47.260  0.00  0.00
ATOM   3338  CA  THR C  58      14.791  46.607  45.969  0.00  0.00
ATOM   3347  CA  GLN C  59      13.104  47.281  42.649  0.00  0.00
ATOM   3359  CA  VAL C  60       9.486  48.274  41.830  0.00  0.00
ATOM   3367  CA  THR C  61       7.367  49.450  38.787  0.00  0.00
ATOM   3376  CA  PHE C  62       4.464  51.853  37.883  0.00  0.00
ATOM   3388  CA  CYS C  63       1.750  52.507  35.264  0.00  0.00
ATOM   3395  CA  SER C  64      -1.231  54.809  35.228  0.00  0.00
ATOM   3403  CA  ASN C  65      -3.330  54.897  32.087  0.00  0.00
ATOM   3414  CA  ARG C  66      -3.236  58.685  31.827  0.00  0.00
ATOM   3431  CA  GLU C  67      -1.715  61.316  34.059  0.00  0.00
ATOM   3441  CA  PRO C  68      -4.012  62.746  36.852  0.00  0.00
ATOM   3448  CA  SER C  69      -4.334  66.253  38.440  0.00  0.00
ATOM   3456  CA  SER C  70      -1.163  68.319  39.043  0.00  0.00
ATOM   3464  CA  GLN C  71       1.285  65.809  40.553  0.00  0.00
ATOM   3476  CA  ARG C  72       1.613  62.107  41.299  0.00  0.00
ATOM   3493  CA  PRO C  73       5.343  61.700  42.477  0.00  0.00
ATOM   3500  CA  PHE C  74       6.202  58.151  43.370  0.00  0.00
ATOM   3512  CA  ILE C  75       8.256  57.968  46.538  0.00  0.00
ATOM   3521  CA  VAL C  76       9.745  54.597  47.240  0.00  0.00
ATOM   3529  CA  GLY C  77      11.846  53.995  50.320  0.00  0.00
ATOM   3534  CA  LEU C  78      13.661  51.423  52.372  0.00  0.00
ATOM   3543  CA  TRP C  79      13.446  51.767  56.137  0.00  0.00
ATOM   3559  CA  LEU C  80      15.263  50.094  59.046  0.00  0.00
ATOM   3568  CA  LYS C  81      14.017  49.253  62.526  0.00  0.00
ATOM   3581  CA  PRO C  82      16.913  48.023  64.765  0.00  0.00
ATOM   3588  CA  SER C  83      17.931  48.311  68.443  0.00  0.00
ATOM   3596  CA  ILE C  84      17.097  52.044  68.244  0.00  0.00
ATOM   3605  CA  GLY C  85      13.481  51.034  67.781  0.00  0.00
ATOM   3610  CA  SER C  86      12.385  53.656  65.242  0.00  0.00
ATOM   3618  CA  GLU C  87      12.000  53.500  61.489  0.00  0.00
ATOM   3628  CA  ARG C  88      15.128  55.074  60.118  0.00  0.00
ATOM   3645  CA  ILE C  89      15.724  55.430  56.366  0.00  0.00
ATOM   3654  CA  LEU C  90      18.518  53.623  54.482  0.00  0.00
ATOM   3663  CA  LEU C  91      17.555  54.001  50.825  0.00  0.00
ATOM   3672  CA  LYS C  92      15.247  56.338  48.925  0.00  0.00
ATOM   3685  CA  ALA C  93      14.076  56.708  45.345  0.00  0.00
ATOM   3691  CA  ALA C  94      11.727  59.459  44.146  0.00  0.00
ATOM   3697  CA  ASN C  95      10.090  59.769  40.742  0.00  0.00
ATOM   3708  CA  THR C  96       7.771  62.082  38.926  0.00  0.00
ATOM   3717  CA  HIS C  97       5.008  60.734  36.673  0.00  0.00
ATOM   3729  CA  SER C  98       5.666  62.453  33.282  0.00  0.00
ATOM   3737  CA  SER C  99       4.248  65.703  31.794  0.00  0.00
ATOM   3745  CA  SER C 100       0.915  64.702  30.338  0.00  0.00
ATOM   3753  CA  GLN C 101       1.336  61.037  29.375  0.00  0.00
ATOM   3765  CA  LEU C 102      -0.923  57.998  28.800  0.00  0.00
ATOM   3774  CA  CYS C 103       0.372  54.886  30.559  0.00  0.00
ATOM   3781  CA  GLU C 104       2.908  56.609  32.692  0.00  0.00
ATOM   3791  CA  GLN C 105       5.076  53.560  32.631  0.00  0.00
ATOM   3803  CA  GLN C 106       7.759  53.725  35.193  0.00  0.00
ATOM   3815  CA  SER C 107      10.188  51.398  36.948  0.00  0.00
ATOM   3823  CA  VAL C 108      12.525  52.115  39.886  0.00  0.00
ATOM   3831  CA  HIS C 109      15.426  50.397  41.579  0.00  0.00
ATOM   3843  CA  LEU C 110      17.041  51.122  44.965  0.00  0.00
ATOM   3852  CA  GLY C 111      20.315  49.413  45.996  0.00  0.00
ATOM   3857  CA  GLY C 112      23.109  49.563  48.609  0.00  0.00
ATOM   3862  CA  VAL C 113      25.360  47.663  51.126  0.00  0.00
ATOM   3870  CA  PHE C 114      24.602  48.297  54.803  0.00  0.00
ATOM   3882  CA  GLU C 115      25.745  46.995  58.198  0.00  0.00
ATOM   3892  CA  LEU C 116      22.837  45.250  59.920  0.00  0.00
ATOM   3901  CA  GLN C 117      22.559  43.973  63.497  0.00  0.00
ATOM   3913  CA  ALA C 118      21.024  40.803  65.026  0.00  0.00
ATOM   3919  CA  GLY C 119      17.336  41.407  65.770  0.00  0.00
ATOM   3924  CA  ALA C 120      16.849  44.234  63.265  0.00  0.00
ATOM   3930  CA  SER C 121      13.795  44.451  60.968  0.00  0.00
ATOM   3938  CA  VAL C 122      14.034  45.713  57.348  0.00  0.00
ATOM   3946  CA  PHE C 123      11.053  47.041  55.367  0.00  0.00
ATOM   3958  CA  VAL C 124      10.329  48.408  51.892  0.00  0.00
ATOM   3966  CA  ASN C 125       7.361  50.693  51.397  0.00  0.00
ATOM   3977  CA  VAL C 126       5.864  52.759  48.557  0.00  0.00
ATOM   3985  CA  THR C 127       3.637  55.862  49.036  0.00  0.00
ATOM   3994  CA  GLU C 128       1.064  54.790  46.419  0.00  0.00
ATOM   4004  CA  ALA C 129       0.644  50.995  46.233  0.00  0.00
ATOM   4010  CA  SER C 130      -1.242  50.811  42.901  0.00  0.00
ATOM   4018  CA  GLN C 131       1.600  48.833  41.304  0.00  0.00
ATOM   4030  CA  VAL C 132       1.493  46.841  38.036  0.00  0.00
ATOM   4038  CA  ILE C 133       0.692  43.089  38.068  0.00  0.00
ATOM   4047  CA  HIS C 134       1.754  41.242  34.864  0.00  0.00
ATOM   4059  CA  ARG C 135       5.386  40.102  35.015  0.00  0.00
ATOM   4076  CA  VAL C 136       7.440  38.325  37.770  0.00  0.00
ATOM   4084  CA  GLY C 137      10.840  40.005  38.462  0.00  0.00
ATOM   4089  CA  PHE C 138       9.457  43.538  38.544  0.00  0.00
ATOM   4101  CA  SER C 139       8.427  44.420  42.063  0.00  0.00
ATOM   4109  CA  SER C 140      10.794  42.810  44.495  0.00  0.00
ATOM   4117  CA  PHE C 141      12.747  43.119  47.730  0.00  0.00
ATOM   4129  CA  GLY C 142      16.018  41.252  48.370  0.00  0.00
ATOM   4134  CA  LEU C 143      18.722  40.892  50.992  0.00  0.00
ATOM   4143  CA  LEU C 144      22.091  39.130  50.973  0.00  0.00
ATOM   4152  CA  LYS C 145      24.820  38.659  53.577  0.00  0.00
ATOM   4165  CA  LEU C 146      28.397  39.354  52.695  0.00  0.00
TER    4173      LEU C 146                                        
END