*HEADER    TOXIN                                   06-JAN-02   1KQI              
*TITLE     NMR SOLUTION STRUCTURE OF THE TRANS PRO30 ISOMER OF ACTX-             
*TITLE    2 HI:OB4219                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTX-HI:OB4219;                                            
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HADRONYCHE INFENSA;                             
*SOURCE   3 ORGANISM_COMMON: FUNNEL-WEB SPIDER;                                  
*SOURCE   4 OTHER_DETAILS: HADRONYCHE INFENSA FOUND AT ORCHID BEACH,             
*SOURCE   5 FRASER ISLAND, AUSTRALIA                                             
*KEYWDS    HADRONYCHE INFENSA, FUNNEL WEB, SPIDER VENOM, CIS-TRANS               
*KEYWDS   2 ISOMERISATION, DISULFIDE RICH, CYSTINE KNOT, SOLUTION                
*KEYWDS   3 STRUCTURE, NMR SPECTROSCOPY                                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.J.ROSENGREN, D.WILSON, N.L.DALY, P.F.ALEWOOD, D.J.CRAIK             
*REVDAT   1   06-FEB-02 1KQI    0                                                
!Hbonds
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assign (resid  25 and name  HB#)   (resid  26 and name   HN)   3.530    1.730    1.730  
assign (resid  25 and name  HB#)   (resid  26 and name HG2#)   4.600    2.800    2.800  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   3.200    1.400    1.400  
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assign (resid  26 and name   HB)   (resid  27 and name   HN)   2.625    0.825    0.825  
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assign (resid  26 and name   HB)   (resid  27 and name  HE#)   4.710    2.910    2.910  
assign (resid  26 and name HG2#)   (resid  27 and name   HN)   4.165    2.365    2.365  
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assign (resid  26 and name HG12)   (resid  27 and name  HD#)   4.710    2.910    2.910  
assign (resid  26 and name HG12)   (resid  27 and name  HE#)   4.710    2.910    2.910  
assign (resid  26 and name HG11)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  26 and name HG11)   (resid  27 and name  HD#)   4.710    2.910    2.910  
assign (resid  26 and name HG11)   (resid  27 and name  HE#)   4.710    2.910    2.910  
assign (resid  26 and name HD1#)   (resid  27 and name   HN)   3.545    1.745    1.745  
assign (resid  26 and name HD1#)   (resid  27 and name  HD#)   5.225    3.425    3.425  
assign (resid  26 and name HD1#)   (resid  27 and name  HE#)   5.225    3.425    3.425  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   3.310    1.510    1.510  
assign (resid  27 and name   HA)   (resid  28 and name  HD#)   4.710    2.910    2.910  
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assign (resid  27 and name  HB2)   (resid  28 and name  HD#)   4.710    2.910    2.910  
assign (resid  27 and name  HB1)   (resid  28 and name  HD#)   4.710    2.910    2.910  
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assign (resid  29 and name   HA)   (resid  30 and name  HD1)   2.300    0.500    0.500  
assign (resid  29 and name   HA)   (resid  30 and name  HD#)   2.160    0.360    0.360  
assign (resid  29 and name  HB1)   (resid  30 and name  HB#)   4.075    2.275    2.275  
assign (resid  29 and name  HB1)   (resid  30 and name  HG#)   4.090    2.290    2.290  
assign (resid  29 and name  HB1)   (resid  30 and name  HD2)   2.830    1.030    1.330  
assign (resid  29 and name  HB1)   (resid  30 and name  HD1)   2.830    1.030    1.330  
assign (resid  29 and name  HB1)   (resid  30 and name  HD#)   2.745    0.945    0.945  
assign (resid  29 and name  HB2)   (resid  30 and name  HB#)   4.090    2.290    2.290  
assign (resid  29 and name  HB2)   (resid  30 and name  HD2)   3.650    1.850    1.850  
assign (resid  29 and name  HB2)   (resid  30 and name  HD1)   3.650    1.850    1.850  
assign (resid  29 and name  HB2)   (resid  30 and name  HD#)   3.450    1.650    1.650  
assign (resid  29 and name  HD#)   (resid  30 and name  HG2)   4.720    2.920    2.920  
assign (resid  29 and name  HD#)   (resid  30 and name  HG1)   4.720    2.920    2.920  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.350    0.550    0.550  
assign (resid  30 and name  HB2)   (resid  31 and name   HN)   2.815    1.015    1.015  
assign (resid  30 and name  HB1)   (resid  31 and name   HN)   2.815    1.015    1.015  
assign (resid  30 and name  HD#)   (resid  31 and name   HA)   4.090    2.290    2.290  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.505    0.705    0.705  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   3.325    1.525    1.525  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   3.325    1.525    1.525  
assign (resid  31 and name  HB1)   (resid  32 and name   HA)   3.155    1.355    1.355  
assign (resid  32 and name   HN)   (resid  33 and name   HN)   3.510    1.710    1.710  
assign (resid  32 and name   HA)   (resid  33 and name   HN)   2.580    0.780    0.780  
assign (resid  32 and name  HB2)   (resid  33 and name   HN)   2.935    1.135    1.135  
assign (resid  32 and name  HB1)   (resid  33 and name   HN)   2.935    1.135    1.135  
assign (resid  32 and name  HB#)   (resid  33 and name   HN)   2.760    0.960    0.960  
assign (resid  33 and name   HA)   (resid  34 and name   HN)   2.455    0.655    0.655  
assign (resid  33 and name  HB1)   (resid  34 and name   HN)   3.340    1.540    1.540  
assign (resid  34 and name   HA)   (resid  35 and name  HB#)   3.935    2.135    2.135  
assign (resid  34 and name   HA)   (resid  35 and name  HD2)   2.315    0.515    0.515  
assign (resid  34 and name   HA)   (resid  35 and name  HD1)   2.315    0.515    0.515  
assign (resid  34 and name   HA)   (resid  35 and name  HD#)   2.205    0.405    0.405  
assign (resid  34 and name  HB2)   (resid  35 and name  HD2)   3.125    1.325    1.325  
assign (resid  34 and name  HB2)   (resid  35 and name  HD1)   3.125    1.325    1.325  
assign (resid  34 and name  HB1)   (resid  35 and name  HD2)   3.125    1.325    1.325  
assign (resid  34 and name  HB1)   (resid  35 and name  HD1)   3.125    1.325    1.325  
assign (resid  34 and name  HB#)   (resid  35 and name  HD#)   2.910    1.110    1.110  
assign (resid  34 and name  HG2)   (resid  35 and name  HD2)   3.650    1.850    1.850  
assign (resid  34 and name  HG2)   (resid  35 and name  HD1)   3.650    1.850    1.850  
assign (resid  34 and name  HG1)   (resid  35 and name  HD2)   3.650    1.850    1.850  
assign (resid  34 and name  HG1)   (resid  35 and name  HD1)   3.650    1.850    1.850  
assign (resid  34 and name  HG#)   (resid  35 and name  HD#)   3.490    1.690    1.690  
assign (resid  34 and name  HD#)   (resid  35 and name  HD2)   3.575    1.775    1.775  
assign (resid  34 and name  HD#)   (resid  35 and name  HD1)   3.575    1.775    1.775  
assign (resid  34 and name  HD#)   (resid  35 and name  HD#)   3.375    1.575    1.575  
assign (resid  35 and name   HA)   (resid  36 and name   HN)   2.425    0.625    0.625  
assign (resid  35 and name  HB2)   (resid  36 and name   HN)   2.935    1.135    1.135  
assign (resid  35 and name  HB1)   (resid  36 and name   HN)   2.935    1.135    1.135  
assign (resid  35 and name  HB#)   (resid  36 and name   HN)   2.780    0.980    0.980  
assign (resid  36 and name   HN)   (resid  37 and name   HN)   3.110    1.310    1.310  
assign (resid  36 and name   HA)   (resid  37 and name   HN)   2.145    0.345    0.345  
assign (resid  36 and name  HB#)   (resid  37 and name   HN)   3.360    1.560    1.560  
assign (resid  36 and name  HG#)   (resid  37 and name   HN)   3.900    2.100    2.100  
assign (resid  36 and name  HD#)   (resid  37 and name   HN)   4.090    2.290    2.290  
assign (resid  37 and name   HN)   (resid  38 and name   HN)   2.580    0.780    0.780  
assign (resid  37 and name  HA#)   (resid  38 and name  HB#)   4.265    2.465    2.465  
assign (resid  37 and name  HA#)   (resid  38 and name  HB#)   4.265    2.465    2.465  
assign (resid   3 and name  HB#)   (resid   7 and name   HN)   4.090    2.290    2.290  
assign (resid   5 and name   HA)   (resid   7 and name   HN)   3.045    1.245    1.245  
assign (resid   5 and name  HG#)   (resid   7 and name   HN)   4.090    2.290    2.290  
assign (resid  10 and name  HB#)   (resid  13 and name   HN)   3.375    1.575    1.575  
assign (resid  10 and name  HB#)   (resid  13 and name   HA)   3.545    1.745    1.745  
assign (resid  11 and name  HG1)   (resid  13 and name   HN)   3.650    1.850    2.150  
assign (resid  11 and name  HD2)   (resid  13 and name   HN)   3.650    1.850    1.850  
assign (resid  18 and name   HN)   (resid  21 and name  HB#)   3.885    2.085    2.085  
assign (resid  18 and name  HB2)   (resid  21 and name   HN)   3.090    1.290    1.290  
assign (resid  18 and name  HB1)   (resid  21 and name   HN)   3.340    1.540    1.540  
assign (resid  19 and name   HA)   (resid  21 and name   HN)   2.300    0.500    0.500  
assign (resid  19 and name   HA)   (resid  21 and name  HB#)   4.090    2.290    2.290  
assign (resid  19 and name   HA)   (resid  22 and name  HD#)   4.715    2.915    2.915  
assign (resid  19 and name  HB2)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  19 and name  HB1)   (resid  21 and name   HN)   3.650    1.850    1.850  
assign (resid  19 and name  HG#)   (resid  21 and name   HN)   4.090    2.290    2.290  
assign (resid  19 and name  HD#)   (resid  21 and name   HN)   4.090    2.290    2.290  
assign (resid  22 and name  HB#)   (resid  24 and name   HN)   3.780    1.980    1.980  
assign (resid  26 and name   HB)   (resid  29 and name   HN)   3.245    1.445    1.445  
assign (resid  26 and name HG2#)   (resid  29 and name  HE#)   5.230    3.430    3.430  
assign (resid  26 and name HG1#)   (resid  29 and name   HN)   4.090    2.290    2.290  
assign (resid  26 and name HD1#)   (resid  29 and name   HN)   4.165    2.365    2.365  
assign (resid  26 and name HD1#)   (resid  29 and name  HE#)   5.230    3.430    3.430  
assign (resid  27 and name   HN)   (resid  29 and name   HN)   3.185    1.385    1.385  
assign (resid  27 and name  HB2)   (resid  29 and name   HN)   3.200    1.400    1.400  
assign (resid  27 and name  HB1)   (resid  29 and name   HN)   3.510    1.710    1.710  
assign (resid  30 and name   HA)   (resid  32 and name   HN)   3.590    1.790    1.790  
assign (resid  32 and name  HB2)   (resid  34 and name   HE)   3.650    1.850    1.850  
assign (resid  32 and name  HB1)   (resid  34 and name   HE)   3.650    1.850    1.850  
assign (resid  34 and name  HB2)   (resid  38 and name  HD1)   3.650    1.850    1.850  
assign (resid  34 and name  HB2)   (resid  38 and name  HE3)   3.650    1.850    1.850  
assign (resid  34 and name  HB1)   (resid  38 and name  HD1)   3.650    1.850    1.850  
assign (resid  34 and name  HB1)   (resid  38 and name  HE3)   3.650    1.850    1.850  
assign (resid  34 and name  HB#)   (resid  38 and name  HE3)   4.090    2.290    2.290  
assign (resid  34 and name  HG#)   (resid  38 and name  HD1)   4.090    2.290    2.290  
assign (resid  34 and name  HG#)   (resid  38 and name  HE3)   4.090    2.290    2.290  
assign (resid  34 and name  HG#)   (resid  38 and name  HE3)   4.090    2.290    2.290  
assign (resid  35 and name  HB#)   (resid  38 and name   HN)   4.040    2.240    2.240  
assign (resid  35 and name  HB#)   (resid  38 and name  HD1)   4.090    2.290    2.290  
assign (resid  35 and name  HG#)   (resid  38 and name  HB#)   4.525    2.725    2.725  
assign (resid  35 and name  HG#)   (resid  38 and name  HD1)   4.090    2.290    2.290  
assign (resid  35 and name  HG#)   (resid  38 and name  HE3)   4.090    2.290    2.290  
assign (resid  35 and name  HD#)   (resid  38 and name  HE3)   4.090    2.290    2.290  
assign (resid  36 and name   HA)   (resid  38 and name   HN)   2.875    1.075    1.075  
assign (resid   2 and name   HA)   (resid  15 and name  HB2)   3.215    1.415    1.415  
assign (resid   2 and name   HA)   (resid  15 and name  HB1)   3.215    1.415    1.415  
assign (resid   2 and name   HA)   (resid  15 and name  HB#)   2.955    1.155    1.155  
assign (resid   2 and name   HA)   (resid  16 and name   HN)   3.075    1.275    1.275  
assign (resid   2 and name   HA)   (resid  16 and name   HA)   3.385    1.585    1.585  
assign (resid   2 and name   HA)   (resid  16 and name  HB2)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid  16 and name  HB1)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid  17 and name   HN)   3.590    1.790    1.790  
assign (resid   2 and name   HA)   (resid  18 and name   HN)   3.385    1.585    1.585  
assign (resid   2 and name   HA)   (resid  18 and name   HA)   3.325    1.525    1.525  
assign (resid   2 and name  HB2)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB2)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB2)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB1)   (resid  19 and name   HN)   3.650    1.850    1.850  
assign (resid   2 and name  HB#)   (resid  17 and name   HA)   3.560    1.760    1.760  
assign (resid   2 and name  HB#)   (resid  18 and name   HN)   3.405    1.605    1.605  
assign (resid   3 and name   HN)   (resid  17 and name   HA)   2.640    0.840    0.840  
assign (resid   3 and name   HN)   (resid  17 and name  HB2)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid  18 and name   HN)   2.875    1.075    1.075  
assign (resid   3 and name   HA)   (resid  17 and name   HA)   3.060    1.260    1.260  
assign (resid   3 and name   HA)   (resid  18 and name   HN)   3.450    1.650    1.650  
assign (resid   3 and name  HB2)   (resid   9 and name  HB2)   4.525    2.725    2.725  
assign (resid   3 and name  HB2)   (resid   9 and name  HB1)   4.525    2.725    2.725  
assign (resid   3 and name  HB2)   (resid  15 and name  HB2)   3.970    2.170    2.170  
assign (resid   3 and name  HB2)   (resid  15 and name  HB1)   3.970    2.170    2.170  
assign (resid   3 and name  HB2)   (resid  17 and name   HA)   2.640    0.840    0.840  
assign (resid   3 and name  HB2)   (resid  17 and name  HB1)   3.650    1.850    1.850  
assign (resid   3 and name  HB2)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name  HB1)   (resid   9 and name  HB2)   4.525    2.725    2.725  
assign (resid   3 and name  HB1)   (resid   9 and name  HB1)   4.525    2.725    2.725  
assign (resid   3 and name  HB1)   (resid  15 and name  HB2)   3.970    2.170    2.170  
assign (resid   3 and name  HB1)   (resid  15 and name  HB1)   3.970    2.170    2.170  
assign (resid   3 and name  HB1)   (resid  17 and name   HA)   2.640    0.840    0.840  
assign (resid   3 and name  HB1)   (resid  17 and name  HB1)   3.650    1.850    1.850  
assign (resid   3 and name  HB1)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name  HB#)   (resid   9 and name  HB#)   4.060    2.260    2.260  
assign (resid   3 and name  HB#)   (resid  15 and name  HB#)   3.400    1.600    1.600  
assign (resid   3 and name  HB#)   (resid  17 and name   HN)   3.700    1.900    1.900  
assign (resid   3 and name  HB#)   (resid  17 and name   HA)   2.370    0.570    0.570  
assign (resid   3 and name  HB#)   (resid  18 and name   HN)   3.410    1.610    1.610  
assign (resid   3 and name   HG)   (resid   9 and name  HB#)   3.980    2.180    2.180  
assign (resid   3 and name   HG)   (resid  15 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HG)   (resid  15 and name  HB2)   2.890    1.090    1.090  
assign (resid   3 and name   HG)   (resid  15 and name  HB1)   2.890    1.090    1.090  
assign (resid   3 and name   HG)   (resid  15 and name  HB#)   2.795    0.995    0.995  
assign (resid   3 and name   HG)   (resid  16 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HG)   (resid  17 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name   HG)   (resid  17 and name   HA)   2.580    0.780    0.780  
assign (resid   3 and name   HG)   (resid  18 and name   HN)   3.650    1.850    1.850  
assign (resid   3 and name  HD#)   (resid   8 and name   HN)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid   9 and name   HN)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid   9 and name  HB2)   3.770    1.970    1.970  
assign (resid   3 and name  HD#)   (resid   9 and name  HB1)   3.770    1.970    1.970  
assign (resid   3 and name  HD#)   (resid   9 and name  HB#)   3.700    1.900    1.900  
assign (resid   3 and name  HD#)   (resid  10 and name   HN)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid  15 and name   HN)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid  15 and name  HB#)   4.180    2.380    2.380  
assign (resid   3 and name  HD#)   (resid  16 and name   HN)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid  16 and name   HA)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid  16 and name  HB2)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid  16 and name  HB1)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid  17 and name   HN)   4.715    2.915    2.915  
assign (resid   3 and name  HD#)   (resid  17 and name   HA)   3.955    2.155    2.155  
assign (resid   3 and name  HD#)   (resid  18 and name   HN)   4.715    2.915    2.915  
assign (resid   4 and name   HA)   (resid  18 and name   HN)   3.340    1.540    1.540  
assign (resid   4 and name   HA)   (resid  18 and name  HB2)   3.650    1.850    1.850  
assign (resid   4 and name   HA)   (resid  18 and name  HB1)   3.650    1.850    1.850  
assign (resid   5 and name  HB#)   (resid  33 and name  HB2)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid  33 and name  HB1)   4.090    2.290    2.290  
assign (resid   5 and name  HB#)   (resid  34 and name   HA)   3.950    2.150    2.150  
assign (resid   6 and name   HN)   (resid  32 and name  HB#)   4.090    2.290    2.290  
assign (resid   6 and name   HN)   (resid  33 and name   HN)   3.420    1.620    1.620  
assign (resid   6 and name   HN)   (resid  33 and name  HB2)   2.905    1.105    1.105  
assign (resid   6 and name   HN)   (resid  33 and name  HB1)   3.280    1.480    1.480  
assign (resid   6 and name   HN)   (resid  34 and name   HA)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid  34 and name  HD#)   4.090    2.290    2.290  
assign (resid   6 and name   HA)   (resid  32 and name   HA)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  32 and name  HB2)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  32 and name  HB1)   3.650    1.850    1.850  
assign (resid   6 and name   HA)   (resid  32 and name  HB#)   3.420    1.620    1.620  
assign (resid   6 and name   HA)   (resid  33 and name   HN)   3.215    1.415    1.415  
assign (resid   6 and name   HA)   (resid  34 and name   HE)   3.495    1.695    1.695  
assign (resid   6 and name  HB#)   (resid  35 and name  HD#)   4.090    2.290    2.290  
assign (resid   7 and name   HN)   (resid  33 and name   HN)   3.435    1.635    1.635  
assign (resid   7 and name   HN)   (resid  33 and name  HB2)   2.815    1.015    1.015  
assign (resid   7 and name   HN)   (resid  33 and name  HB1)   3.650    1.850    1.850  
assign (resid   7 and name  HB#)   (resid  33 and name   HN)   4.135    2.335    2.335  
assign (resid   8 and name   HN)   (resid  32 and name   HA)   3.400    1.600    1.600  
assign (resid   8 and name   HA)   (resid  32 and name   HA)   2.240    0.440    0.440  
assign (resid   8 and name   HA)   (resid  32 and name  HB#)   3.080    1.280    1.280  
assign (resid   8 and name   HA)   (resid  33 and name   HN)   3.030    1.230    1.230  
assign (resid   8 and name  HB#)   (resid  32 and name   HA)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid  31 and name  HB2)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  31 and name  HB1)   3.650    1.850    1.850  
assign (resid   9 and name   HN)   (resid  32 and name   HA)   2.535    0.735    0.735  
assign (resid   9 and name   HN)   (resid  32 and name  HB#)   4.090    2.290    2.290  
assign (resid   9 and name   HN)   (resid  33 and name   HN)   3.650    1.850    1.850  
assign (resid   9 and name  HB#)   (resid  15 and name   HN)   4.090    2.290    2.290  
assign (resid   9 and name  HB#)   (resid  33 and name   HN)   4.090    2.290    2.290  
assign (resid  10 and name  HB#)   (resid  15 and name   HN)   4.090    2.290    2.290  
assign (resid  17 and name  HB2)   (resid  22 and name   HA)   3.170    1.370    1.370  
assign (resid  17 and name  HB2)   (resid  33 and name  HB1)   3.435    1.635    1.635  
assign (resid  17 and name  HB1)   (resid  22 and name   HA)   3.200    1.400    1.400  
assign (resid  17 and name  HB1)   (resid  33 and name  HB2)   3.310    1.510    1.510  
assign (resid  17 and name  HB1)   (resid  33 and name  HB1)   2.845    1.045    1.045  
assign (resid  20 and name  HB#)   (resid  35 and name  HB#)   4.525    2.725    2.725  
assign (resid  21 and name   HN)   (resid  35 and name  HB#)   4.090    2.290    2.290  
assign (resid  21 and name   HA)   (resid  35 and name  HB#)   4.090    2.290    2.290  
assign (resid  21 and name   HA)   (resid  36 and name   HA)   2.830    1.030    1.230  
assign (resid  21 and name  HB2)   (resid  33 and name  HB2)   2.860    1.060    1.060  
assign (resid  21 and name  HB1)   (resid  33 and name  HB2)   2.860    1.060    1.060  
assign (resid  21 and name  HB#)   (resid  34 and name   HN)   4.090    2.290    2.290  
assign (resid  21 and name  HB#)   (resid  36 and name   HN)   4.090    2.290    2.290  
assign (resid  21 and name  HB#)   (resid  36 and name  HB#)   3.350    1.550    1.550  
assign (resid  22 and name   HN)   (resid  34 and name   HN)   2.920    1.120    1.120  
assign (resid  22 and name HD1#)   (resid  37 and name   HN)   4.165    2.365    2.365  
assign (resid  22 and name HD2#)   (resid  37 and name   HN)   4.165    2.365    2.365  
assign (resid  22 and name  HD#)   (resid  35 and name   HA)   4.715    2.915    2.915  
assign (resid  22 and name  HD#)   (resid  36 and name   HA)   3.850    2.050    2.050  
assign (resid  22 and name  HD#)   (resid  36 and name  HB#)   5.030    3.230    3.230  
assign (resid  22 and name  HD#)   (resid  36 and name  HG#)   5.155    3.355    3.355  
assign (resid  23 and name   HA)   (resid  33 and name   HN)   3.605    1.805    1.805  
assign (resid  23 and name   HA)   (resid  33 and name   HA)   2.300    0.500    0.500  
assign (resid  23 and name   HA)   (resid  34 and name   HN)   3.540    1.740    1.740  
assign (resid  24 and name   HN)   (resid  32 and name   HN)   2.660    0.860    0.860  
assign (resid  24 and name   HN)   (resid  33 and name   HA)   2.535    0.735    0.735  
assign (resid  24 and name   HN)   (resid  34 and name   HN)   3.435    1.635    1.635  
assign (resid  24 and name  HB2)   (resid  34 and name  HB#)   3.335    1.535    1.535  
assign (resid  24 and name  HB2)   (resid  34 and name  HG2)   3.650    1.850    1.850  
assign (resid  24 and name  HB2)   (resid  34 and name  HG1)   3.650    1.850    1.850  
assign (resid  24 and name  HB2)   (resid  34 and name  HG#)   3.585    1.785    1.785  
assign (resid  24 and name  HB2)   (resid  38 and name  HE3)   3.650    1.850    1.850  
assign (resid  24 and name  HB1)   (resid  38 and name  HE3)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  31 and name   HA)   2.100    0.300    0.300  
assign (resid  25 and name   HA)   (resid  32 and name   HN)   3.295    1.495    1.495  
assign (resid  26 and name   HN)   (resid  31 and name   HA)   3.650    1.850    1.850  
assign (resid  26 and name HG2#)   (resid  38 and name  HD1)   4.165    2.365    2.365  
assign (resid  26 and name HG2#)   (resid  38 and name  HE3)   4.165    2.365    2.365  
assign (resid  26 and name HG2#)   (resid  38 and name  HE3)   4.165    2.365    2.365  
assign (resid  26 and name HG2#)   (resid  38 and name  HZ3)   4.165    2.365    2.365  
assign (resid  26 and name HG1#)   (resid  38 and name  HD1)   4.090    2.290    2.290  
assign (resid  26 and name HD1#)   (resid  38 and name  HD1)   4.165    2.365    2.365  
assign (resid  26 and name HD1#)   (resid  38 and name  HZ3)   4.165    2.365    2.365  
assign (resid  26 and name HD1#)   (resid  38 and name  HH2)   4.165    2.365    2.365  


! phi angles

 !!   Cys 2
assign (resid   1 and name C )   (resid  2 and name N ) 
       (resid   2 and name CA)   (resid  2 and name C )    1 -120.0   40.0  2 
 !!   Leu 3
assign (resid   2 and name C )   (resid  3 and name N ) 
       (resid   3 and name CA)   (resid  3 and name C )    1 -120.0   40.0  2 
 !!    Cys 4 
 assign (resid   3 and name C )   (resid  4 and name N ) 
        (resid   4 and name CA)   (resid  4 and name C )   1 -120.0   40.0  2 
 !!    Glu 5
 assign (resid   4 and name C )   (resid  5 and name N ) 
        (resid   5 and name CA)   (resid  5 and name C )   1 -100.0   80.0  2 
 !!    Ala 6   
 assign (resid   5 and name C )   (resid   6 and name N ) 
        (resid   6 and name CA)   (resid   6 and name C )  1   60.0   30.0  2
 !!    Ala 7  
 assign (resid   6 and name C )   (resid   7 and name N ) 
        (resid   7 and name CA)   (resid   7 and name C )   1 -120.0   40.0  2
 !!    Asp 8 
 assign (resid   7 and name C )   (resid  8 and name N ) 
        (resid   8 and name CA)   (resid  8 and name C )    1 -100.0   80.0  2 
 !!    Cys 9   
 assign (resid   8 and name C )   (resid   9 and name N ) 
        (resid   9 and name CA)   (resid   9 and name C )   1 -120.0   40.0  2
 !!    Ser 10  
 assign (resid   9 and name C )   (resid   10 and name N ) 
        (resid   10 and name CA)   (resid  10 and name C )  1 -120.0   40.0  2
 !!    Trp 12  
 assign (resid   11 and name C )   (resid  12 and name N ) 
        (resid   12 and name CA)   (resid  12 and name C )  1 -120.0   40.0  2
 !!    Ser 13  
 assign (resid   12 and name C )   (resid  13 and name N ) 
        (resid   13 and name CA)   (resid  13 and name C )  1 -100.0   80.0  2
 !!    Gly 14  
 assign (resid   13 and name C )   (resid  14 and name N ) 
        (resid   14 and name CA)   (resid  14 and name C )  1 -180.0   40.0  2
 !!    Asp 15
 assign (resid   14 and name C )   (resid  15 and name N ) 
        (resid   15 and name CA)   (resid  15 and name C )  1 -100.0   80.0  2 
 !!    Ser 16 
 assign (resid   15 and name C )   (resid  16 and name N ) 
        (resid   16 and name CA)   (resid  16 and name C )  1 -120.0   40.0  2 
  !!   Cys 17 
 assign (resid   16 and name C )   (resid  17 and name N ) 
        (resid   17 and name CA)   (resid  17 and name C )  1 -100.0   80.0  2
 !!    Cys 18 
 assign (resid   17 and name C )   (resid  18 and name N ) 
        (resid   18 and name CA)   (resid  18 and name C )  1 -100.0   80.0  2 
 !!    Lys 19 
 assign (resid   18 and name C )   (resid  19 and name N ) 
        (resid   19 and name CA)   (resid  19 and name C )  1 -120.0   40.0  2 
 !!    Tyr 21 
 !assign (resid   20 and name C )   (resid  21 and name N ) 
 !       (resid   21 and name CA)   (resid  21 and name C )  1 -120.0   40.0  2 
 !!    Leu 22 
 assign (resid   21 and name C )   (resid  22 and name N ) 
        (resid   22 and name CA)   (resid  22 and name C )  1 -100.0   80.0  2 
 !!    Ser 24 
 assign (resid   23 and name C )   (resid  24 and name N ) 
        (resid   24 and name CA)   (resid  24 and name C )  1 -120.0   40.0  2 
 !!    Cys 25 
 assign (resid   24 and name C )   (resid  25 and name N ) 
        (resid   25 and name CA)   (resid  25 and name C )  1 -120.0   40.0  2 
 !!    Ile 26 
 assign (resid   25 and name C )   (resid  26 and name N ) 
        (resid   26 and name CA)   (resid  26 and name C )  1 -120.0   40.0  2 
 !!    Phe 27 
 assign (resid   26 and name C )   (resid  27 and name N ) 
        (resid   27 and name CA)   (resid  27 and name C )  1 -100.0   80.0  2 
 !!    Phe 28 
 assign (resid   27 and name C )   (resid  28 and name N ) 
        (resid   28 and name CA)   (resid  28 and name C )  1 -100.0   80.0  2 
 !!    Cys 31 
 assign (resid   30 and name C )   (resid  31 and name N ) 
        (resid   31 and name CA)   (resid  31 and name C )  1 -100.0   80.0  2 
 !!    Ser 32 
 assign (resid   31 and name C )   (resid  32 and name N ) 
        (resid   32 and name CA)   (resid  32 and name C )  1 -120.0   40.0  2 
 !!    Arg 34   
 assign (resid   33 and name C )   (resid   34 and name N ) 
        (resid   34 and name CA)   (resid   34 and name C ) 1 -120.0   40.0  2
 !!    Lys 36   
 assign (resid   35 and name C )   (resid   36 and name N ) 
        (resid   36 and name CA)   (resid   36 and name C ) 1 -120.0   40.0  2
 !!    Gly 37   
 assign (resid   36 and name C )   (resid   37 and name N ) 
        (resid   37 and name CA)   (resid   37 and name C ) 1   -0.0  140.0  2

!chi Angles

 !!    Cys  2 
assign (resid   2 and name N )   (resid  2 and name CA) 
       (resid   2 and name CB)   (resid  2 and name SG)    1   60.0   30.0  2 
 !!    Trp  12 
assign (resid   12 and name N )   (resid  12 and name CA) 
       (resid   12 and name CB)   (resid  12 and name CG)   1  -60.0   30.0  2 
 !!    Ser 16   
 assign (resid   16 and name N )   (resid  16 and name CA) 
        (resid   16 and name CB)   (resid  16 and name OG)  1  -60.0   30.0  2
 !!    Cys  17 
 assign (resid   17 and name N )   (resid  17 and name CA) 
        (resid   17 and name CB)   (resid  17 and name SG)  1  -60.0   30.0  2 
 !!    Cys  18   
 assign (resid   18 and name N )   (resid  18 and name CA) 
        (resid   18 and name CB)   (resid  18 and name SG)  1  -60.0   30.0  2
 !!    Cys  23 
 assign (resid   23 and name N )   (resid  23 and name CA) 
        (resid   23 and name CB)   (resid  23 and name SG)  1 -180.0   30.0  2 
 !!    Ser 24   
 assign (resid   24 and name N )   (resid  24 and name CA) 
        (resid   24 and name CB)   (resid  24 and name OG) 1   60.0   30.0  2
 !!    Ile  26   
assign (resid   26 and name N )   (resid  26 and name CA ) 
       (resid   26 and name CB)   (resid  26 and name CG2)  1  -60.0   30.0  2
 !!    Phe  27 
 assign (resid   27 and name N )   (resid  27 and name CA) 
        (resid   27 and name CB)   (resid  27 and name CG)  1  -60.0   30.0  2 
 !!    Tyr 29 
 assign (resid   29 and name N )   (resid  29 and name CA) 
        (resid   29 and name CB)   (resid  29 and name CG)  1  -60.0   30.0  2 
 !!    Cys  31   
 assign (resid   31 and name N )   (resid  31 and name CA) 
        (resid   31 and name CB)   (resid  31 and name SG)  1  -60.0   30.0  2
 !!    Ser  32 
 assign (resid   32 and name N )   (resid  32 and name CA) 
        (resid   32 and name CB)   (resid  32 and name OG)  1   60.0   30.0  2 
 !!    Cys  33   
 assign (resid   33 and name N )   (resid  33 and name CA) 
        (resid   33 and name CB)   (resid  33 and name SG)  1  -60.0   30.0  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS   1          1HT       LYS   1 -15.737  -3.456  -1.730
    2   2H    LYS   1          2HT       LYS   1 -14.532  -3.815  -0.597
    3   3H    LYS   1          3HT       LYS   1 -14.880  -4.911  -1.838
    4    HA   LYS   1           HA       LYS   1 -13.583  -3.891  -3.290
    5   1HB   LYS   1          2HB       LYS   1 -13.622  -1.428  -3.572
    6   2HB   LYS   1          1HB       LYS   1 -15.234  -2.127  -3.581
    7   1HG   LYS   1          2HG       LYS   1 -15.681  -1.331  -1.386
    8   2HG   LYS   1          1HG       LYS   1 -13.994  -0.868  -1.145
    9   1HD   LYS   1          2HD       LYS   1 -14.330   0.685  -3.155
   10   2HD   LYS   1          1HD       LYS   1 -16.057   0.406  -2.921
   11   1HE   LYS   1          2HE       LYS   1 -16.125   1.589  -0.976
   12   2HE   LYS   1          1HE       LYS   1 -14.466   1.178  -0.540
   13   1HZ   LYS   1          1HZ       LYS   1 -15.206   3.087  -2.689
   14   2HZ   LYS   1          2HZ       LYS   1 -13.639   2.756  -2.125
   15   3HZ   LYS   1          3HZ       LYS   1 -14.761   3.537  -1.120
   16    H    CYS   2           H        CYS   2 -11.398  -3.433  -3.260
   17    HA   CYS   2           HA       CYS   2 -10.131  -2.127  -1.047
   18   1HB   CYS   2          2HB       CYS   2  -8.766  -4.106  -0.374
   19   2HB   CYS   2          1HB       CYS   2 -10.466  -4.245   0.051
   20    H    LEU   3           H        LEU   3  -7.819  -1.990  -1.331
   21    HA   LEU   3           HA       LEU   3  -7.149  -1.603  -4.097
   22   1HB   LEU   3          2HB       LEU   3  -5.465  -1.290  -1.611
   23   2HB   LEU   3          1HB       LEU   3  -5.074  -0.677  -3.200
   24    HG   LEU   3           HG       LEU   3  -7.427   0.213  -1.543
   25   1HD1  LEU   3          1HD1      LEU   3  -4.748   0.848  -1.206
   26   2HD1  LEU   3          2HD1      LEU   3  -6.135   1.740  -0.579
   27   3HD1  LEU   3          3HD1      LEU   3  -5.413   2.201  -2.121
   28   1HD2  LEU   3          1HD2      LEU   3  -6.348   1.117  -4.206
   29   2HD2  LEU   3          2HD2      LEU   3  -7.477   2.066  -3.240
   30   3HD2  LEU   3          3HD2      LEU   3  -7.954   0.481  -3.846
   31    H    ALA   4           H        ALA   4  -6.107  -3.004  -5.374
   32    HA   ALA   4           HA       ALA   4  -5.309  -5.564  -4.353
   33   1HB   ALA   4          1HB       ALA   4  -4.491  -5.569  -6.944
   34   2HB   ALA   4          2HB       ALA   4  -5.759  -4.344  -6.980
   35   3HB   ALA   4          3HB       ALA   4  -6.122  -5.971  -6.403
   36    H    GLU   5           H        GLU   5  -3.171  -6.275  -5.913
   37    HA   GLU   5           HA       GLU   5  -1.011  -5.291  -4.381
   38   1HB   GLU   5          2HB       GLU   5   0.374  -6.593  -6.140
   39   2HB   GLU   5          1HB       GLU   5  -0.669  -7.475  -5.041
   40   1HG   GLU   5          2HG       GLU   5  -1.709  -6.688  -7.720
   41   2HG   GLU   5          1HG       GLU   5  -0.600  -8.053  -7.583
   42    H    ALA   6           H        ALA   6   0.336  -3.770  -4.664
   43    HA   ALA   6           HA       ALA   6   1.483  -1.999  -5.455
   44   1HB   ALA   6          1HB       ALA   6   2.561  -2.848  -7.234
   45   2HB   ALA   6          2HB       ALA   6   1.393  -1.921  -8.175
   46   3HB   ALA   6          3HB       ALA   6   1.114  -3.635  -7.865
   47    H    ALA   7           H        ALA   7  -1.188  -1.699  -4.707
   48    HA   ALA   7           HA       ALA   7  -2.186   0.283  -6.649
   49   1HB   ALA   7          1HB       ALA   7  -3.512  -1.714  -5.160
   50   2HB   ALA   7          2HB       ALA   7  -4.213  -0.517  -6.250
   51   3HB   ALA   7          3HB       ALA   7  -4.047  -0.154  -4.532
   52    H    ASP   8           H        ASP   8  -2.264   2.411  -6.148
   53    HA   ASP   8           HA       ASP   8  -0.791   3.410  -3.981
   54   1HB   ASP   8          2HB       ASP   8  -1.774   5.628  -4.632
   55   2HB   ASP   8          1HB       ASP   8  -1.008   4.751  -5.949
   56    H    CYS   9           H        CYS   9  -1.310   4.128  -1.986
   57    HA   CYS   9           HA       CYS   9  -3.934   3.357  -0.994
   58   1HB   CYS   9          2HB       CYS   9  -1.665   4.461   0.642
   59   2HB   CYS   9          1HB       CYS   9  -3.029   3.506   1.196
   60    H    SER  10           H        SER  10  -5.185   4.734   0.345
   61    HA   SER  10           HA       SER  10  -5.363   7.412  -0.680
   62   1HB   SER  10          2HB       SER  10  -7.342   7.518   0.893
   63   2HB   SER  10          1HB       SER  10  -7.417   6.233  -0.314
   64    HG   SER  10           HG       SER  10  -6.326   5.754   2.243
   65    HA   PRO  11           HA       PRO  11  -2.774   9.286   2.385
   66   1HB   PRO  11          2HB       PRO  11  -3.728  11.847   2.106
   67   2HB   PRO  11          1HB       PRO  11  -2.542  11.099   1.033
   68   1HG   PRO  11          2HG       PRO  11  -5.490  11.431   0.666
   69   2HG   PRO  11          1HG       PRO  11  -4.185  11.618  -0.519
   70   1HD   PRO  11          2HD       PRO  11  -5.724   9.414  -0.432
   71   2HD   PRO  11          1HD       PRO  11  -4.004   9.342  -0.867
   72    H    TRP  12           H        TRP  12  -6.250  10.123   2.424
   73    HA   TRP  12           HA       TRP  12  -6.086  10.078   5.360
   74   1HB   TRP  12          2HB       TRP  12  -7.628  12.061   3.678
   75   2HB   TRP  12          1HB       TRP  12  -7.809  11.887   5.419
   76    HD1  TRP  12           HD       TRP  12  -5.552  12.487   6.908
   77    HE1  TRP  12           1HE      TRP  12  -3.741  14.260   6.464
   78    HE3  TRP  12           3HE      TRP  12  -6.399  13.289   1.930
   79    HZ2  TRP  12           2HZ      TRP  12  -2.800  15.801   4.295
   80    HZ3  TRP  12           3HZ      TRP  12  -5.003  14.933   0.747
   81    HH2  TRP  12           HH       TRP  12  -3.242  16.163   1.907
   82    H    SER  13           H        SER  13  -8.227   9.761   2.545
   83    HA   SER  13           HA       SER  13  -9.646   7.646   3.931
   84   1HB   SER  13          2HB       SER  13 -10.850   9.770   4.505
   85   2HB   SER  13          1HB       SER  13 -11.151  10.012   2.785
   86    HG   SER  13           HG       SER  13 -12.469   8.450   4.546
   87    H    GLY  14           H        GLY  14 -10.500   6.143   2.569
   88   1HA   GLY  14          2HA       GLY  14 -11.230   6.377  -0.072
   89   2HA   GLY  14          1HA       GLY  14  -9.496   6.087  -0.094
   90    H    ASP  15           H        ASP  15  -9.424   4.055  -0.857
   91    HA   ASP  15           HA       ASP  15 -11.094   2.008   0.384
   92   1HB   ASP  15          2HB       ASP  15  -9.499   2.134  -2.140
   93   2HB   ASP  15          1HB       ASP  15  -9.872   0.567  -1.439
   94    H    SER  16           H        SER  16 -10.240   0.115   1.247
   95    HA   SER  16           HA       SER  16  -7.607   0.462   2.451
   96   1HB   SER  16          2HB       SER  16  -9.646  -1.680   3.060
   97   2HB   SER  16          1HB       SER  16  -8.272  -1.194   4.051
   98    HG   SER  16           HG       SER  16  -9.803   0.944   3.537
   99    H    CYS  17           H        CYS  17  -6.018  -1.180   2.343
  100    HA   CYS  17           HA       CYS  17  -5.723  -2.394  -0.180
  101   1HB   CYS  17          2HB       CYS  17  -4.260  -3.056   2.387
  102   2HB   CYS  17          1HB       CYS  17  -3.725  -3.444   0.758
  103    H    CYS  18           H        CYS  18  -5.932  -4.503  -0.866
  104    HA   CYS  18           HA       CYS  18  -7.849  -6.165   0.446
  105   1HB   CYS  18          2HB       CYS  18  -5.953  -6.799  -1.837
  106   2HB   CYS  18          1HB       CYS  18  -7.281  -7.824  -1.316
  107    H    LYS  19           H        LYS  19  -7.508  -8.030   1.614
  108    HA   LYS  19           HA       LYS  19  -4.954  -8.189   2.901
  109   1HB   LYS  19          2HB       LYS  19  -5.927  -9.694   4.410
  110   2HB   LYS  19          1HB       LYS  19  -7.185  -8.545   4.046
  111   1HG   LYS  19          2HG       LYS  19  -6.947 -11.288   2.825
  112   2HG   LYS  19          1HG       LYS  19  -7.994 -10.868   4.178
  113   1HD   LYS  19          2HD       LYS  19  -9.271  -9.371   2.781
  114   2HD   LYS  19          1HD       LYS  19  -8.157  -9.621   1.435
  115   1HE   LYS  19          2HE       LYS  19  -8.772 -12.018   1.429
  116   2HE   LYS  19          1HE       LYS  19  -9.951 -11.692   2.697
  117   1HZ   LYS  19          1HZ       LYS  19  -9.976 -10.741  -0.105
  118   2HZ   LYS  19          2HZ       LYS  19 -10.942 -10.036   1.090
  119   3HZ   LYS  19          3HZ       LYS  19 -11.142 -11.668   0.698
  120    HA   PRO  20           HA       PRO  20  -3.846  -9.296   3.898
  121   1HB   PRO  20          2HB       PRO  20  -1.598 -10.694   4.272
  122   2HB   PRO  20          1HB       PRO  20  -3.182 -11.451   4.466
  123   1HG   PRO  20          2HG       PRO  20  -1.190 -11.794   2.313
  124   2HG   PRO  20          1HG       PRO  20  -2.473 -12.892   2.841
  125   1HD   PRO  20          2HD       PRO  20  -2.500 -11.014   0.636
  126   2HD   PRO  20          1HD       PRO  20  -3.744 -12.194   1.096
  127    H    TYR  21           H        TYR  21  -3.196  -8.137   1.167
  128    HA   TYR  21           HA       TYR  21  -0.445  -7.484   1.080
  129   1HB   TYR  21          2HB       TYR  21  -2.726  -5.898  -0.143
  130   2HB   TYR  21          1HB       TYR  21  -1.026  -5.810  -0.579
  131    HD1  TYR  21           1HD      TYR  21  -3.916  -8.168  -0.529
  132    HD2  TYR  21           2HD      TYR  21  -0.151  -7.184  -2.243
  133    HE1  TYR  21           1HE      TYR  21  -4.223  -9.941  -2.204
  134    HE2  TYR  21           2HE      TYR  21  -0.449  -8.951  -3.925
  135    HH   TYR  21           HH       TYR  21  -2.554 -10.160  -4.996
  136    H    LEU  22           H        LEU  22   0.627  -5.595   1.626
  137    HA   LEU  22           HA       LEU  22  -0.723  -3.960   3.674
  138   1HB   LEU  22          2HB       LEU  22   0.880  -5.502   4.667
  139   2HB   LEU  22          1HB       LEU  22   2.131  -4.937   3.579
  140    HG   LEU  22           HG       LEU  22   1.933  -2.675   4.662
  141   1HD1  LEU  22          1HD1      LEU  22   0.459  -2.231   6.279
  142   2HD1  LEU  22          2HD1      LEU  22   0.729  -3.780   7.077
  143   3HD1  LEU  22          3HD1      LEU  22  -0.386  -3.673   5.715
  144   1HD2  LEU  22          1HD2      LEU  22   2.612  -4.433   6.904
  145   2HD2  LEU  22          2HD2      LEU  22   3.597  -3.243   6.053
  146   3HD2  LEU  22          3HD2      LEU  22   3.391  -4.860   5.380
  147    H    CYS  23           H        CYS  23  -0.462  -1.771   3.558
  148    HA   CYS  23           HA       CYS  23   0.440  -0.652   1.108
  149   1HB   CYS  23          2HB       CYS  23  -1.381   0.337   2.480
  150   2HB   CYS  23          1HB       CYS  23  -0.192   0.776   3.701
  151    H    SER  24           H        SER  24   2.487  -0.488   0.571
  152    HA   SER  24           HA       SER  24   4.538  -0.284   2.611
  153   1HB   SER  24          2HB       SER  24   6.102  -0.629   0.730
  154   2HB   SER  24          1HB       SER  24   4.850  -1.865   0.756
  155    HG   SER  24           HG       SER  24   4.313   0.406  -0.749
  156    H    CYS  25           H        CYS  25   5.314   1.602   3.255
  157    HA   CYS  25           HA       CYS  25   5.145   3.908   1.428
  158   1HB   CYS  25          2HB       CYS  25   4.900   3.876   4.448
  159   2HB   CYS  25          1HB       CYS  25   5.003   5.336   3.473
  160    H    ILE  26           H        ILE  26   7.273   2.403   1.116
  161    HA   ILE  26           HA       ILE  26   9.409   3.142   2.899
  162    HB   ILE  26           HB       ILE  26  10.853   1.900   1.242
  163   1HG1  ILE  26          2HG1      ILE  26   8.148   1.236   0.056
  164   2HG1  ILE  26          1HG1      ILE  26   9.430   2.143  -0.734
  165   1HG2  ILE  26          1HG2      ILE  26   9.129   1.007   3.239
  166   2HG2  ILE  26          2HG2      ILE  26  10.523   0.153   2.578
  167   3HG2  ILE  26          3HG2      ILE  26   8.916  -0.134   1.911
  168   1HD1  ILE  26          1HD1      ILE  26  10.815  -0.033  -0.292
  169   2HD1  ILE  26          2HD1      ILE  26   9.717   0.081  -1.668
  170   3HD1  ILE  26          3HD1      ILE  26   9.216  -0.772  -0.207
  171    H    PHE  27           H        PHE  27  11.551   3.556   1.336
  172    HA   PHE  27           HA       PHE  27  11.295   6.314   0.725
  173   1HB   PHE  27          2HB       PHE  27  13.562   4.361   0.395
  174   2HB   PHE  27          1HB       PHE  27  13.703   6.063  -0.025
  175    HD1  PHE  27           1HD      PHE  27  12.367   4.110   2.880
  176    HD2  PHE  27           2HD      PHE  27  14.829   7.305   1.522
  177    HE1  PHE  27           1HE      PHE  27  12.961   4.636   5.207
  178    HE2  PHE  27           2HE      PHE  27  15.428   7.836   3.849
  179    HZ   PHE  27           HZ       PHE  27  14.495   6.500   5.695
  180    H    PHE  28           H        PHE  28  12.333   3.623  -1.378
  181    HA   PHE  28           HA       PHE  28  12.200   5.210  -3.725
  182   1HB   PHE  28          2HB       PHE  28  13.670   3.192  -3.383
  183   2HB   PHE  28          1HB       PHE  28  12.236   2.195  -3.601
  184    HD1  PHE  28           1HD      PHE  28  13.352   5.257  -5.404
  185    HD2  PHE  28           2HD      PHE  28  12.505   1.092  -5.612
  186    HE1  PHE  28           1HE      PHE  28  13.689   5.314  -7.840
  187    HE2  PHE  28           2HE      PHE  28  12.841   1.141  -8.048
  188    HZ   PHE  28           HZ       PHE  28  13.434   3.254  -9.165
  189    H    TYR  29           H        TYR  29   9.927   3.065  -2.157
  190    HA   TYR  29           HA       TYR  29   8.051   3.546  -4.371
  191   1HB   TYR  29          2HB       TYR  29   8.067   1.310  -2.337
  192   2HB   TYR  29          1HB       TYR  29   6.775   1.588  -3.499
  193    HD1  TYR  29           1HD      TYR  29   6.882   0.647  -5.625
  194    HD2  TYR  29           2HD      TYR  29  10.420   0.838  -3.271
  195    HE1  TYR  29           1HE      TYR  29   8.042  -0.763  -7.268
  196    HE2  TYR  29           2HE      TYR  29  11.593  -0.568  -4.912
  197    HH   TYR  29           HH       TYR  29  11.406  -1.172  -7.292
  198    HA   PRO  30           HA       PRO  30   5.875   6.126  -1.464
  199   1HB   PRO  30          2HB       PRO  30   3.792   6.725  -3.091
  200   2HB   PRO  30          1HB       PRO  30   5.385   7.467  -3.274
  201   1HG   PRO  30          2HG       PRO  30   4.161   5.205  -4.801
  202   2HG   PRO  30          1HG       PRO  30   5.128   6.567  -5.398
  203   1HD   PRO  30          2HD       PRO  30   6.150   4.076  -4.999
  204   2HD   PRO  30          1HD       PRO  30   7.117   5.553  -4.847
  205    H    CYS  31           H        CYS  31   3.695   6.166  -0.484
  206    HA   CYS  31           HA       CYS  31   2.896   3.751   0.524
  207   1HB   CYS  31          2HB       CYS  31   1.332   6.306   0.199
  208   2HB   CYS  31          1HB       CYS  31   0.716   4.919   1.089
  209    H    SER  32           H        SER  32   2.395   2.072  -0.652
  210    HA   SER  32           HA       SER  32  -0.058   2.076  -2.176
  211   1HB   SER  32          2HB       SER  32   1.165   0.885  -4.110
  212   2HB   SER  32          1HB       SER  32   1.348   2.635  -4.000
  213    HG   SER  32           HG       SER  32   3.353   2.235  -2.881
  214    H    CYS  33           H        CYS  33  -1.054   0.091  -2.060
  215    HA   CYS  33           HA       CYS  33  -0.122  -1.748  -0.133
  216   1HB   CYS  33          2HB       CYS  33  -2.179  -2.456  -2.210
  217   2HB   CYS  33          1HB       CYS  33  -2.069  -2.990  -0.544
  218    H    ARG  34           H        ARG  34   1.361  -3.192  -0.321
  219    HA   ARG  34           HA       ARG  34   1.974  -4.386  -2.948
  220   1HB   ARG  34          2HB       ARG  34   3.738  -3.361  -0.757
  221   2HB   ARG  34          1HB       ARG  34   4.261  -4.798  -1.613
  222   1HG   ARG  34          2HG       ARG  34   5.117  -2.526  -2.418
  223   2HG   ARG  34          1HG       ARG  34   4.522  -3.662  -3.625
  224   1HD   ARG  34          2HD       ARG  34   2.451  -2.491  -3.806
  225   2HD   ARG  34          1HD       ARG  34   2.838  -1.478  -2.421
  226    HE   ARG  34           HE       ARG  34   3.804  -0.048  -3.874
  227   1HH1  ARG  34          1HH1      ARG  34   4.132  -3.257  -5.263
  228   2HH1  ARG  34          2HH1      ARG  34   4.869  -2.687  -6.722
  229   1HH2  ARG  34          1HH2      ARG  34   4.752   0.696  -5.794
  230   2HH2  ARG  34          2HH2      ARG  34   5.226  -0.430  -7.023
  231    HA   PRO  35           HA       PRO  35   1.067  -8.400  -1.383
  232   1HB   PRO  35          2HB       PRO  35   3.862  -9.236  -1.936
  233   2HB   PRO  35          1HB       PRO  35   2.340  -9.946  -2.484
  234   1HG   PRO  35          2HG       PRO  35   3.888  -8.496  -4.126
  235   2HG   PRO  35          1HG       PRO  35   2.119  -8.462  -4.232
  236   1HD   PRO  35          2HD       PRO  35   3.990  -6.425  -3.143
  237   2HD   PRO  35          1HD       PRO  35   2.420  -6.210  -3.936
  238    H    LYS  36           H        LYS  36   1.507  -9.887   0.355
  239    HA   LYS  36           HA       LYS  36   2.720  -8.580   2.611
  240   1HB   LYS  36          2HB       LYS  36   0.631 -10.038   2.667
  241   2HB   LYS  36          1HB       LYS  36   1.698 -11.422   2.469
  242   1HG   LYS  36          2HG       LYS  36   1.178 -11.201   4.784
  243   2HG   LYS  36          1HG       LYS  36   2.866 -10.741   4.559
  244   1HD   LYS  36          2HD       LYS  36   2.312  -8.411   4.681
  245   2HD   LYS  36          1HD       LYS  36   0.585  -8.774   4.683
  246   1HE   LYS  36          2HE       LYS  36   0.906  -9.983   6.832
  247   2HE   LYS  36          1HE       LYS  36   2.583  -9.439   6.838
  248   1HZ   LYS  36          1HZ       LYS  36   1.996  -7.363   7.422
  249   2HZ   LYS  36          2HZ       LYS  36   0.591  -8.108   7.997
  250   3HZ   LYS  36          3HZ       LYS  36   0.591  -7.361   6.478
  251    H    GLY  37           H        GLY  37   4.850  -8.538   2.749
  252   1HA   GLY  37          2HA       GLY  37   6.962  -9.470   3.157
  253   2HA   GLY  37          1HA       GLY  37   6.357 -11.027   2.593
  254    H    TRP  38           H        TRP  38   6.319  -7.830   1.105
  255    HA   TRP  38           HA       TRP  38   7.020  -8.824  -1.455
  256   1HB   TRP  38          2HB       TRP  38   6.855  -6.551  -2.194
  257   2HB   TRP  38          1HB       TRP  38   5.596  -6.785  -0.988
  258    HD1  TRP  38           HD       TRP  38   8.979  -5.043  -1.470
  259    HE1  TRP  38           1HE      TRP  38   9.215  -3.181   0.282
  260    HE3  TRP  38           3HE      TRP  38   4.777  -5.976   1.282
  261    HZ2  TRP  38           2HZ      TRP  38   7.808  -2.228   2.535
  262    HZ3  TRP  38           3HZ      TRP  38   4.295  -4.544   3.219
  263    HH2  TRP  38           HH       TRP  38   5.780  -2.707   3.832
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1 -14.358  -3.126  -1.606
    2   2H    LYS   1          2HT       LYS   1 -14.511  -4.153  -2.941
    3   3H    LYS   1          3HT       LYS   1 -15.384  -2.705  -2.883
    4    HA   LYS   1           HA       LYS   1 -13.103  -2.981  -4.207
    5   1HB   LYS   1          2HB       LYS   1 -14.702  -1.074  -4.223
    6   2HB   LYS   1          1HB       LYS   1 -14.009  -0.506  -2.712
    7   1HG   LYS   1          2HG       LYS   1 -11.794  -0.375  -3.950
    8   2HG   LYS   1          1HG       LYS   1 -12.736  -0.587  -5.428
    9   1HD   LYS   1          2HD       LYS   1 -14.032   1.404  -4.915
   10   2HD   LYS   1          1HD       LYS   1 -13.167   1.596  -3.390
   11   1HE   LYS   1          2HE       LYS   1 -11.048   1.662  -4.861
   12   2HE   LYS   1          1HE       LYS   1 -12.164   1.976  -6.189
   13   1HZ   LYS   1          1HZ       LYS   1 -11.948   4.103  -5.579
   14   2HZ   LYS   1          2HZ       LYS   1 -11.290   3.715  -4.063
   15   3HZ   LYS   1          3HZ       LYS   1 -12.969   3.721  -4.284
   16    H    CYS   2           H        CYS   2 -10.923  -2.832  -3.895
   17    HA   CYS   2           HA       CYS   2  -9.768  -1.819  -1.477
   18   1HB   CYS   2          2HB       CYS   2  -8.654  -3.956  -0.840
   19   2HB   CYS   2          1HB       CYS   2 -10.395  -3.980  -0.600
   20    H    LEU   3           H        LEU   3  -7.460  -1.833  -1.562
   21    HA   LEU   3           HA       LEU   3  -6.511  -1.388  -4.243
   22   1HB   LEU   3          2HB       LEU   3  -5.080  -1.231  -1.592
   23   2HB   LEU   3          1HB       LEU   3  -4.492  -0.600  -3.115
   24    HG   LEU   3           HG       LEU   3  -6.985   0.358  -1.718
   25   1HD1  LEU   3          1HD1      LEU   3  -4.342   0.841  -1.021
   26   2HD1  LEU   3          2HD1      LEU   3  -5.760   1.764  -0.523
   27   3HD1  LEU   3          3HD1      LEU   3  -4.834   2.262  -1.940
   28   1HD2  LEU   3          1HD2      LEU   3  -7.291   1.858  -3.408
   29   2HD2  LEU   3          2HD2      LEU   3  -6.569   0.537  -4.327
   30   3HD2  LEU   3          3HD2      LEU   3  -5.577   1.907  -3.826
   31    H    ALA   4           H        ALA   4  -5.551  -2.883  -5.471
   32    HA   ALA   4           HA       ALA   4  -4.902  -5.465  -4.400
   33   1HB   ALA   4          1HB       ALA   4  -5.949  -5.157  -6.615
   34   2HB   ALA   4          2HB       ALA   4  -4.459  -6.100  -6.682
   35   3HB   ALA   4          3HB       ALA   4  -4.456  -4.410  -7.187
   36    H    GLU   5           H        GLU   5  -2.757  -6.198  -6.005
   37    HA   GLU   5           HA       GLU   5  -0.590  -5.511  -4.366
   38   1HB   GLU   5          2HB       GLU   5   0.791  -6.719  -6.071
   39   2HB   GLU   5          1HB       GLU   5  -0.567  -7.636  -5.440
   40   1HG   GLU   5          2HG       GLU   5  -0.779  -6.132  -8.021
   41   2HG   GLU   5          1HG       GLU   5  -0.063  -7.739  -7.952
   42    H    ALA   6           H        ALA   6   0.743  -3.921  -4.371
   43    HA   ALA   6           HA       ALA   6   1.927  -2.075  -4.914
   44   1HB   ALA   6          1HB       ALA   6   3.215  -2.623  -6.633
   45   2HB   ALA   6          2HB       ALA   6   1.985  -1.951  -7.703
   46   3HB   ALA   6          3HB       ALA   6   1.966  -3.669  -7.307
   47    H    ALA   7           H        ALA   7  -0.699  -1.641  -4.338
   48    HA   ALA   7           HA       ALA   7  -1.449   0.456  -6.278
   49   1HB   ALA   7          1HB       ALA   7  -3.679   0.028  -5.974
   50   2HB   ALA   7          2HB       ALA   7  -3.448  -0.624  -4.353
   51   3HB   ALA   7          3HB       ALA   7  -3.016  -1.592  -5.763
   52    H    ASP   8           H        ASP   8  -1.163   2.457  -5.587
   53    HA   ASP   8           HA       ASP   8  -0.177   3.210  -3.141
   54   1HB   ASP   8          2HB       ASP   8  -1.761   4.804  -5.151
   55   2HB   ASP   8          1HB       ASP   8  -0.999   5.530  -3.739
   56    H    CYS   9           H        CYS   9  -0.914   3.577  -1.192
   57    HA   CYS   9           HA       CYS   9  -3.813   3.458  -0.744
   58   1HB   CYS   9          2HB       CYS   9  -2.778   3.059   1.725
   59   2HB   CYS   9          1HB       CYS   9  -3.166   1.766   0.600
   60    H    SER  10           H        SER  10  -4.799   4.868   0.671
   61    HA   SER  10           HA       SER  10  -3.621   7.488   0.767
   62   1HB   SER  10          2HB       SER  10  -6.229   6.540   1.974
   63   2HB   SER  10          1HB       SER  10  -5.767   8.205   1.619
   64    HG   SER  10           HG       SER  10  -6.843   7.743  -0.158
   65    HA   PRO  11           HA       PRO  11  -1.693   6.961   4.728
   66   1HB   PRO  11          2HB       PRO  11  -1.277   9.605   5.258
   67   2HB   PRO  11          1HB       PRO  11  -0.289   8.668   4.130
   68   1HG   PRO  11          2HG       PRO  11  -2.598  10.492   3.556
   69   2HG   PRO  11          1HG       PRO  11  -1.033  10.391   2.738
   70   1HD   PRO  11          2HD       PRO  11  -3.211   9.252   1.695
   71   2HD   PRO  11          1HD       PRO  11  -1.620   8.472   1.572
   72    H    TRP  12           H        TRP  12  -4.003   9.696   4.574
   73    HA   TRP  12           HA       TRP  12  -4.625   9.407   7.363
   74   1HB   TRP  12          2HB       TRP  12  -5.957  11.131   5.265
   75   2HB   TRP  12          1HB       TRP  12  -6.190  11.259   7.006
   76    HD1  TRP  12           HD       TRP  12  -3.977  12.084   8.441
   77    HE1  TRP  12           1HE      TRP  12  -2.108  13.714   7.754
   78    HE3  TRP  12           3HE      TRP  12  -4.627  11.980   3.371
   79    HZ2  TRP  12           2HZ      TRP  12  -1.055  14.820   5.380
   80    HZ3  TRP  12           3HZ      TRP  12  -3.153  13.358   1.964
   81    HH2  TRP  12           HH       TRP  12  -1.405  14.748   2.949
   82    H    SER  13           H        SER  13  -6.564   9.132   4.385
   83    HA   SER  13           HA       SER  13  -7.976   6.845   5.398
   84   1HB   SER  13          2HB       SER  13  -9.482   9.457   5.068
   85   2HB   SER  13          1HB       SER  13 -10.232   7.882   5.320
   86    HG   SER  13           HG       SER  13  -8.365   8.328   7.209
   87    H    GLY  14           H        GLY  14  -8.930   5.690   3.779
   88   1HA   GLY  14          2HA       GLY  14  -9.861   6.641   1.338
   89   2HA   GLY  14          1HA       GLY  14  -8.164   6.237   1.114
   90    H    ASP  15           H        ASP  15  -8.754   4.563  -0.340
   91    HA   ASP  15           HA       ASP  15 -10.471   2.429   0.425
   92   1HB   ASP  15          2HB       ASP  15  -8.389   2.627  -1.750
   93   2HB   ASP  15          1HB       ASP  15  -9.444   1.240  -1.534
   94    H    SER  16           H        SER  16  -9.992   0.412   1.172
   95    HA   SER  16           HA       SER  16  -7.491   0.184   2.613
   96   1HB   SER  16          2HB       SER  16  -9.757  -1.799   2.589
   97   2HB   SER  16          1HB       SER  16  -8.507  -1.603   3.815
   98    HG   SER  16           HG       SER  16  -9.791   0.721   3.488
   99    H    CYS  17           H        CYS  17  -6.026  -1.515   2.368
  100    HA   CYS  17           HA       CYS  17  -5.648  -2.427  -0.299
  101   1HB   CYS  17          2HB       CYS  17  -4.304  -3.521   2.184
  102   2HB   CYS  17          1HB       CYS  17  -3.701  -3.571   0.534
  103    H    CYS  18           H        CYS  18  -5.894  -4.501  -1.152
  104    HA   CYS  18           HA       CYS  18  -7.979  -6.122  -0.089
  105   1HB   CYS  18          2HB       CYS  18  -5.928  -6.785  -2.228
  106   2HB   CYS  18          1HB       CYS  18  -7.393  -7.700  -1.897
  107    H    LYS  19           H        LYS  19  -7.816  -8.120   0.908
  108    HA   LYS  19           HA       LYS  19  -5.454  -8.414   2.503
  109   1HB   LYS  19          2HB       LYS  19  -6.731 -10.428   3.401
  110   2HB   LYS  19          1HB       LYS  19  -7.426  -8.850   3.690
  111   1HG   LYS  19          2HG       LYS  19  -8.311 -10.410   1.310
  112   2HG   LYS  19          1HG       LYS  19  -8.910 -10.856   2.908
  113   1HD   LYS  19          2HD       LYS  19  -9.124  -8.116   1.655
  114   2HD   LYS  19          1HD       LYS  19 -10.428  -9.301   1.755
  115   1HE   LYS  19          2HE       LYS  19 -10.362  -9.209   4.181
  116   2HE   LYS  19          1HE       LYS  19  -8.994  -8.098   4.124
  117   1HZ   LYS  19          1HZ       LYS  19 -11.344  -7.157   4.462
  118   2HZ   LYS  19          2HZ       LYS  19 -11.535  -7.403   2.800
  119   3HZ   LYS  19          3HZ       LYS  19 -10.316  -6.378   3.368
  120    HA   PRO  20           HA       PRO  20  -4.317  -9.503   3.465
  121   1HB   PRO  20          2HB       PRO  20  -2.130 -10.951   3.915
  122   2HB   PRO  20          1HB       PRO  20  -3.733 -11.694   3.956
  123   1HG   PRO  20          2HG       PRO  20  -1.593 -11.962   1.937
  124   2HG   PRO  20          1HG       PRO  20  -2.935 -13.057   2.303
  125   1HD   PRO  20          2HD       PRO  20  -2.758 -11.034   0.225
  126   2HD   PRO  20          1HD       PRO  20  -4.035 -12.239   0.495
  127    H    TYR  21           H        TYR  21  -3.504  -8.112   0.921
  128    HA   TYR  21           HA       TYR  21  -0.719  -7.573   1.034
  129   1HB   TYR  21          2HB       TYR  21  -2.874  -5.809  -0.157
  130   2HB   TYR  21          1HB       TYR  21  -1.148  -5.709  -0.463
  131    HD1  TYR  21           1HD      TYR  21  -0.090  -7.102  -2.050
  132    HD2  TYR  21           2HD      TYR  21  -4.156  -7.794  -1.016
  133    HE1  TYR  21           1HE      TYR  21  -0.309  -8.634  -3.957
  134    HE2  TYR  21           2HE      TYR  21  -4.385  -9.333  -2.919
  135    HH   TYR  21           HH       TYR  21  -2.643  -9.405  -5.430
  136    H    LEU  22           H        LEU  22   0.387  -5.817   1.798
  137    HA   LEU  22           HA       LEU  22  -0.952  -4.360   3.982
  138   1HB   LEU  22          2HB       LEU  22   0.720  -6.010   4.700
  139   2HB   LEU  22          1HB       LEU  22   1.923  -5.232   3.695
  140    HG   LEU  22           HG       LEU  22   1.560  -3.152   5.126
  141   1HD1  LEU  22          1HD1      LEU  22   0.496  -3.343   7.202
  142   2HD1  LEU  22          2HD1      LEU  22   0.417  -5.102   7.094
  143   3HD1  LEU  22          3HD1      LEU  22  -0.608  -4.107   6.059
  144   1HD2  LEU  22          1HD2      LEU  22   3.348  -3.752   6.360
  145   2HD2  LEU  22          2HD2      LEU  22   3.323  -5.181   5.328
  146   3HD2  LEU  22          3HD2      LEU  22   2.590  -5.239   6.931
  147    H    CYS  23           H        CYS  23  -0.794  -2.160   4.020
  148    HA   CYS  23           HA       CYS  23   0.172  -0.786   1.711
  149   1HB   CYS  23          2HB       CYS  23  -1.745   0.083   2.964
  150   2HB   CYS  23          1HB       CYS  23  -0.743   0.277   4.398
  151    H    SER  24           H        SER  24   2.198  -0.118   1.331
  152    HA   SER  24           HA       SER  24   3.980   0.263   3.636
  153   1HB   SER  24          2HB       SER  24   5.802  -0.795   2.273
  154   2HB   SER  24          1HB       SER  24   4.514  -1.907   2.729
  155    HG   SER  24           HG       SER  24   3.843  -0.799   0.415
  156    H    CYS  25           H        CYS  25   5.238   2.024   3.559
  157    HA   CYS  25           HA       CYS  25   5.181   3.622   1.094
  158   1HB   CYS  25          2HB       CYS  25   4.212   4.370   3.523
  159   2HB   CYS  25          1HB       CYS  25   5.867   4.956   3.646
  160    H    ILE  26           H        ILE  26   7.002   2.566   0.275
  161    HA   ILE  26           HA       ILE  26   9.450   2.514   1.772
  162    HB   ILE  26           HB       ILE  26  10.455   1.716  -0.435
  163   1HG1  ILE  26          2HG1      ILE  26   8.425   2.604  -1.770
  164   2HG1  ILE  26          1HG1      ILE  26   9.089   1.035  -2.207
  165   1HG2  ILE  26          1HG2      ILE  26   8.315   0.163   0.997
  166   2HG2  ILE  26          2HG2      ILE  26  10.042   0.207   1.354
  167   3HG2  ILE  26          3HG2      ILE  26   9.468  -0.551  -0.132
  168   1HD1  ILE  26          1HD1      ILE  26   6.765   0.768  -2.259
  169   2HD1  ILE  26          2HD1      ILE  26   6.543   1.640  -0.742
  170   3HD1  ILE  26          3HD1      ILE  26   7.272   0.034  -0.736
  171    H    PHE  27           H        PHE  27  11.417   3.114   0.047
  172    HA   PHE  27           HA       PHE  27  11.564   5.927   0.306
  173   1HB   PHE  27          2HB       PHE  27  13.398   3.912  -0.974
  174   2HB   PHE  27          1HB       PHE  27  13.773   5.627  -0.901
  175    HD1  PHE  27           1HD      PHE  27  12.522   3.029   1.493
  176    HD2  PHE  27           2HD      PHE  27  15.273   6.184   0.723
  177    HE1  PHE  27           1HE      PHE  27  13.498   2.719   3.729
  178    HE2  PHE  27           2HE      PHE  27  16.253   5.878   2.958
  179    HZ   PHE  27           HZ       PHE  27  15.367   4.144   4.464
  180    H    PHE  28           H        PHE  28  12.145   4.089  -2.699
  181    HA   PHE  28           HA       PHE  28  11.778   6.374  -4.322
  182   1HB   PHE  28          2HB       PHE  28  13.179   4.397  -4.930
  183   2HB   PHE  28          1HB       PHE  28  11.698   3.483  -5.198
  184    HD1  PHE  28           1HD      PHE  28  11.495   3.095  -7.457
  185    HD2  PHE  28           2HD      PHE  28  12.668   6.963  -6.127
  186    HE1  PHE  28           1HE      PHE  28  11.409   3.914  -9.775
  187    HE2  PHE  28           2HE      PHE  28  12.582   7.790  -8.442
  188    HZ   PHE  28           HZ       PHE  28  11.952   6.264 -10.270
  189    H    TYR  29           H        TYR  29   9.667   3.658  -3.541
  190    HA   TYR  29           HA       TYR  29   7.541   4.878  -5.134
  191   1HB   TYR  29          2HB       TYR  29   7.681   2.180  -3.773
  192   2HB   TYR  29          1HB       TYR  29   6.292   2.770  -4.676
  193    HD1  TYR  29           1HD      TYR  29   6.142   2.395  -6.969
  194    HD2  TYR  29           2HD      TYR  29   9.914   1.965  -5.049
  195    HE1  TYR  29           1HE      TYR  29   7.082   1.456  -9.038
  196    HE2  TYR  29           2HE      TYR  29  10.864   1.030  -7.114
  197    HH   TYR  29           HH       TYR  29   9.593   1.342 -10.032
  198    HA   PRO  30           HA       PRO  30   5.790   6.647  -1.481
  199   1HB   PRO  30          2HB       PRO  30   3.292   7.144  -2.431
  200   2HB   PRO  30          1HB       PRO  30   4.700   8.122  -2.859
  201   1HG   PRO  30          2HG       PRO  30   3.382   5.922  -4.401
  202   2HG   PRO  30          1HG       PRO  30   3.997   7.482  -4.979
  203   1HD   PRO  30          2HD       PRO  30   5.376   5.174  -5.279
  204   2HD   PRO  30          1HD       PRO  30   6.178   6.741  -5.045
  205    H    CYS  31           H        CYS  31   3.383   6.491  -0.467
  206    HA   CYS  31           HA       CYS  31   3.253   3.964   0.726
  207   1HB   CYS  31          2HB       CYS  31   1.129   6.115   0.579
  208   2HB   CYS  31          1HB       CYS  31   1.096   4.740   1.671
  209    H    SER  32           H        SER  32   2.848   2.193  -0.435
  210    HA   SER  32           HA       SER  32   0.309   2.044  -1.863
  211   1HB   SER  32          2HB       SER  32   1.603   0.771  -3.719
  212   2HB   SER  32          1HB       SER  32   1.668   2.533  -3.710
  213    HG   SER  32           HG       SER  32   3.682   2.371  -2.614
  214    H    CYS  33           H        CYS  33  -0.670   0.093  -1.735
  215    HA   CYS  33           HA       CYS  33   0.173  -1.743   0.239
  216   1HB   CYS  33          2HB       CYS  33  -1.853  -2.337  -1.916
  217   2HB   CYS  33          1HB       CYS  33  -1.771  -3.001  -0.296
  218    H    ARG  34           H        ARG  34   1.384  -3.478   0.121
  219    HA   ARG  34           HA       ARG  34   2.059  -4.613  -2.510
  220   1HB   ARG  34          2HB       ARG  34   3.956  -4.232  -0.174
  221   2HB   ARG  34          1HB       ARG  34   4.350  -5.000  -1.705
  222   1HG   ARG  34          2HG       ARG  34   3.677  -2.106  -1.247
  223   2HG   ARG  34          1HG       ARG  34   5.245  -2.785  -1.686
  224   1HD   ARG  34          2HD       ARG  34   4.409  -3.464  -3.833
  225   2HD   ARG  34          1HD       ARG  34   2.770  -2.979  -3.394
  226    HE   ARG  34           HE       ARG  34   3.309  -0.809  -3.867
  227   1HH1  ARG  34          1HH1      ARG  34   6.268  -2.675  -3.668
  228   2HH1  ARG  34          2HH1      ARG  34   7.273  -1.370  -4.202
  229   1HH2  ARG  34          1HH2      ARG  34   4.613   0.910  -4.532
  230   2HH2  ARG  34          2HH2      ARG  34   6.324   0.680  -4.699
  231    HA   PRO  35           HA       PRO  35   1.008  -8.617  -1.001
  232   1HB   PRO  35          2HB       PRO  35   3.826  -9.487  -1.366
  233   2HB   PRO  35          1HB       PRO  35   2.336 -10.198  -1.995
  234   1HG   PRO  35          2HG       PRO  35   3.998  -8.777  -3.554
  235   2HG   PRO  35          1HG       PRO  35   2.240  -8.748  -3.781
  236   1HD   PRO  35          2HD       PRO  35   4.037  -6.683  -2.639
  237   2HD   PRO  35          1HD       PRO  35   2.494  -6.496  -3.494
  238    H    LYS  36           H        LYS  36   1.179  -9.965   0.834
  239    HA   LYS  36           HA       LYS  36   2.438  -8.727   3.108
  240   1HB   LYS  36          2HB       LYS  36   0.153 -10.006   2.949
  241   2HB   LYS  36          1HB       LYS  36   1.143 -11.444   3.149
  242   1HG   LYS  36          2HG       LYS  36   1.208  -9.149   5.091
  243   2HG   LYS  36          1HG       LYS  36   0.074 -10.491   5.233
  244   1HD   LYS  36          2HD       LYS  36   2.019 -12.045   5.287
  245   2HD   LYS  36          1HD       LYS  36   3.086 -10.639   5.306
  246   1HE   LYS  36          2HE       LYS  36   0.996 -11.314   7.374
  247   2HE   LYS  36          1HE       LYS  36   2.737 -11.514   7.558
  248   1HZ   LYS  36          1HZ       LYS  36   2.123  -8.863   6.779
  249   2HZ   LYS  36          2HZ       LYS  36   2.925  -9.407   8.165
  250   3HZ   LYS  36          3HZ       LYS  36   1.239  -9.275   8.161
  251    H    GLY  37           H        GLY  37   4.511  -8.914   2.062
  252   1HA   GLY  37          2HA       GLY  37   6.498 -10.172   3.086
  253   2HA   GLY  37          1HA       GLY  37   5.770 -11.567   2.288
  254    H    TRP  38           H        TRP  38   6.005  -8.226   1.230
  255    HA   TRP  38           HA       TRP  38   6.725  -8.911  -1.413
  256   1HB   TRP  38          2HB       TRP  38   6.828  -6.545  -1.822
  257   2HB   TRP  38          1HB       TRP  38   5.489  -6.833  -0.719
  258    HD1  TRP  38           HD       TRP  38   9.101  -5.484  -0.704
  259    HE1  TRP  38           1HE      TRP  38   9.370  -3.889   1.294
  260    HE3  TRP  38           3HE      TRP  38   4.527  -6.134   1.484
  261    HZ2  TRP  38           2HZ      TRP  38   7.849  -3.016   3.501
  262    HZ3  TRP  38           3HZ      TRP  38   4.015  -4.881   3.535
  263    HH2  TRP  38           HH       TRP  38   5.642  -3.354   4.522
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1 -13.910  -0.097   0.522
    2   2H    LYS   1          2HT       LYS   1 -14.468   0.633  -0.894
    3   3H    LYS   1          3HT       LYS   1 -12.875   0.898  -0.375
    4    HA   LYS   1           HA       LYS   1 -13.789  -1.847  -0.949
    5   1HB   LYS   1          2HB       LYS   1 -14.413  -0.519  -2.921
    6   2HB   LYS   1          1HB       LYS   1 -12.806   0.191  -2.970
    7   1HG   LYS   1          2HG       LYS   1 -11.906  -2.135  -3.305
    8   2HG   LYS   1          1HG       LYS   1 -13.575  -2.663  -3.518
    9   1HD   LYS   1          2HD       LYS   1 -13.837  -1.191  -5.420
   10   2HD   LYS   1          1HD       LYS   1 -12.218  -0.533  -5.169
   11   1HE   LYS   1          2HE       LYS   1 -11.267  -2.764  -5.577
   12   2HE   LYS   1          1HE       LYS   1 -12.889  -3.390  -5.874
   13   1HZ   LYS   1          1HZ       LYS   1 -13.066  -2.226  -7.848
   14   2HZ   LYS   1          2HZ       LYS   1 -11.443  -2.706  -7.862
   15   3HZ   LYS   1          3HZ       LYS   1 -11.851  -1.119  -7.443
   16    H    CYS   2           H        CYS   2 -11.930  -3.250  -1.154
   17    HA   CYS   2           HA       CYS   2  -9.651  -2.143   0.176
   18   1HB   CYS   2          2HB       CYS   2  -8.667  -4.370   0.074
   19   2HB   CYS   2          1HB       CYS   2 -10.306  -4.426   0.688
   20    H    LEU   3           H        LEU   3  -7.636  -1.934  -0.531
   21    HA   LEU   3           HA       LEU   3  -7.377  -1.058  -3.247
   22   1HB   LEU   3          2HB       LEU   3  -5.391  -1.197  -0.977
   23   2HB   LEU   3          1HB       LEU   3  -5.127  -0.376  -2.495
   24    HG   LEU   3           HG       LEU   3  -7.268   0.348  -0.502
   25   1HD1  LEU   3          1HD1      LEU   3  -4.474   1.005  -0.617
   26   2HD1  LEU   3          2HD1      LEU   3  -5.679   1.431   0.598
   27   3HD1  LEU   3          3HD1      LEU   3  -5.460   2.452  -0.824
   28   1HD2  LEU   3          1HD2      LEU   3  -6.368   1.755  -3.013
   29   2HD2  LEU   3          2HD2      LEU   3  -7.591   2.327  -1.878
   30   3HD2  LEU   3          3HD2      LEU   3  -7.877   0.862  -2.818
   31    H    ALA   4           H        ALA   4  -6.253  -2.014  -4.894
   32    HA   ALA   4           HA       ALA   4  -5.789  -4.826  -4.668
   33   1HB   ALA   4          1HB       ALA   4  -4.819  -3.626  -7.122
   34   2HB   ALA   4          2HB       ALA   4  -6.456  -3.110  -6.716
   35   3HB   ALA   4          3HB       ALA   4  -6.086  -4.827  -6.869
   36    H    GLU   5           H        GLU   5  -3.775  -5.603  -6.056
   37    HA   GLU   5           HA       GLU   5  -1.518  -5.160  -4.416
   38   1HB   GLU   5          2HB       GLU   5  -0.375  -6.659  -6.076
   39   2HB   GLU   5          1HB       GLU   5  -1.816  -7.332  -5.328
   40   1HG   GLU   5          2HG       GLU   5  -3.098  -6.691  -7.353
   41   2HG   GLU   5          1HG       GLU   5  -1.581  -6.185  -8.098
   42    H    ALA   6           H        ALA   6   0.198  -3.962  -4.680
   43    HA   ALA   6           HA       ALA   6   1.539  -2.265  -5.358
   44   1HB   ALA   6          1HB       ALA   6   1.256  -2.483  -8.213
   45   2HB   ALA   6          2HB       ALA   6   1.388  -4.088  -7.493
   46   3HB   ALA   6          3HB       ALA   6   2.641  -2.883  -7.195
   47    H    ALA   7           H        ALA   7  -1.083  -1.608  -4.768
   48    HA   ALA   7           HA       ALA   7  -1.670   0.487  -6.766
   49   1HB   ALA   7          1HB       ALA   7  -3.438  -1.133  -4.995
   50   2HB   ALA   7          2HB       ALA   7  -3.607  -0.746  -6.707
   51   3HB   ALA   7          3HB       ALA   7  -3.951   0.481  -5.488
   52    H    ASP   8           H        ASP   8  -1.709   2.580  -6.173
   53    HA   ASP   8           HA       ASP   8  -0.385   3.443  -3.879
   54   1HB   ASP   8          2HB       ASP   8  -0.938   4.686  -6.116
   55   2HB   ASP   8          1HB       ASP   8  -2.391   5.198  -5.264
   56    H    CYS   9           H        CYS   9  -1.064   4.195  -1.905
   57    HA   CYS   9           HA       CYS   9  -3.574   3.140  -0.985
   58   1HB   CYS   9          2HB       CYS   9  -1.587   4.803   0.564
   59   2HB   CYS   9          1HB       CYS   9  -2.835   3.754   1.224
   60    H    SER  10           H        SER  10  -5.047   4.469   0.378
   61    HA   SER  10           HA       SER  10  -5.882   6.759  -1.127
   62   1HB   SER  10          2HB       SER  10  -7.740   6.782   0.588
   63   2HB   SER  10          1HB       SER  10  -7.571   5.268  -0.304
   64    HG   SER  10           HG       SER  10  -6.467   5.789   2.264
   65    HA   PRO  11           HA       PRO  11  -3.570   9.528   1.554
   66   1HB   PRO  11          2HB       PRO  11  -4.259  11.644  -0.285
   67   2HB   PRO  11          1HB       PRO  11  -2.695  10.865  -0.044
   68   1HG   PRO  11          2HG       PRO  11  -4.193  10.607  -2.322
   69   2HG   PRO  11          1HG       PRO  11  -3.020   9.402  -1.768
   70   1HD   PRO  11          2HD       PRO  11  -5.999   9.413  -1.490
   71   2HD   PRO  11          1HD       PRO  11  -4.905   8.063  -1.866
   72    H    TRP  12           H        TRP  12  -6.460  10.874  -0.061
   73    HA   TRP  12           HA       TRP  12  -7.116  12.404   2.307
   74   1HB   TRP  12          2HB       TRP  12  -8.582  12.170  -0.331
   75   2HB   TRP  12          1HB       TRP  12  -8.976  13.300   0.958
   76    HD1  TRP  12           HD       TRP  12  -7.355  15.404   1.289
   77    HE1  TRP  12           1HE      TRP  12  -5.654  16.521  -0.286
   78    HE3  TRP  12           3HE      TRP  12  -6.883  11.675  -2.177
   79    HZ2  TRP  12           2HZ      TRP  12  -4.299  15.908  -2.684
   80    HZ3  TRP  12           3HZ      TRP  12  -5.368  12.023  -4.084
   81    HH2  TRP  12           HH       TRP  12  -4.104  14.097  -4.331
   82    H    SER  13           H        SER  13  -8.405   9.682   0.487
   83    HA   SER  13           HA       SER  13 -10.613   9.351   2.341
   84   1HB   SER  13          2HB       SER  13  -9.804   7.556   0.044
   85   2HB   SER  13          1HB       SER  13 -11.377   7.634   0.839
   86    HG   SER  13           HG       SER  13 -11.262   9.966   0.105
   87    H    GLY  14           H        GLY  14 -10.759   6.527   2.409
   88   1HA   GLY  14          2HA       GLY  14  -8.257   5.510   3.402
   89   2HA   GLY  14          1HA       GLY  14  -9.435   5.820   4.661
   90    H    ASP  15           H        ASP  15  -8.155   3.458   3.097
   91    HA   ASP  15           HA       ASP  15 -10.363   1.664   3.482
   92   1HB   ASP  15          2HB       ASP  15  -9.605   2.516   0.760
   93   2HB   ASP  15          1HB       ASP  15  -9.655   0.783   0.995
   94    H    SER  16           H        SER  16  -9.689  -0.508   3.467
   95    HA   SER  16           HA       SER  16  -6.861  -0.803   4.069
   96   1HB   SER  16          2HB       SER  16  -8.986  -2.937   4.218
   97   2HB   SER  16          1HB       SER  16  -7.438  -2.893   5.058
   98    HG   SER  16           HG       SER  16  -8.900  -0.685   5.603
   99    H    CYS  17           H        CYS  17  -5.495  -2.258   3.001
  100    HA   CYS  17           HA       CYS  17  -6.023  -2.586   0.201
  101   1HB   CYS  17          2HB       CYS  17  -3.767  -3.877   1.738
  102   2HB   CYS  17          1HB       CYS  17  -3.802  -3.406   0.041
  103    H    CYS  18           H        CYS  18  -6.371  -4.523  -0.916
  104    HA   CYS  18           HA       CYS  18  -7.897  -6.525   0.342
  105   1HB   CYS  18          2HB       CYS  18  -6.370  -6.757  -2.262
  106   2HB   CYS  18          1HB       CYS  18  -7.724  -7.750  -1.756
  107    H    LYS  19           H        LYS  19  -7.381  -8.580   0.990
  108    HA   LYS  19           HA       LYS  19  -4.681  -8.925   1.885
  109   1HB   LYS  19          2HB       LYS  19  -5.545 -11.018   2.867
  110   2HB   LYS  19          1HB       LYS  19  -6.496  -9.621   3.324
  111   1HG   LYS  19          2HG       LYS  19  -8.195 -10.224   1.693
  112   2HG   LYS  19          1HG       LYS  19  -7.227 -11.609   1.182
  113   1HD   LYS  19          2HD       LYS  19  -7.401 -12.548   3.446
  114   2HD   LYS  19          1HD       LYS  19  -8.393 -11.171   3.932
  115   1HE   LYS  19          2HE       LYS  19 -10.081 -11.799   2.283
  116   2HE   LYS  19          1HE       LYS  19  -9.084 -13.160   1.771
  117   1HZ   LYS  19          1HZ       LYS  19  -9.327 -14.154   3.925
  118   2HZ   LYS  19          2HZ       LYS  19 -10.865 -13.795   3.319
  119   3HZ   LYS  19          3HZ       LYS  19 -10.176 -12.812   4.510
  120    HA   PRO  20           HA       PRO  20  -3.376 -10.241   2.418
  121   1HB   PRO  20          2HB       PRO  20  -1.079 -11.563   2.056
  122   2HB   PRO  20          1HB       PRO  20  -2.601 -12.418   2.335
  123   1HG   PRO  20          2HG       PRO  20  -1.018 -12.170  -0.141
  124   2HG   PRO  20          1HG       PRO  20  -2.203 -13.402   0.316
  125   1HD   PRO  20          2HD       PRO  20  -2.583 -11.059  -1.342
  126   2HD   PRO  20          1HD       PRO  20  -3.737 -12.358  -0.982
  127    H    TYR  21           H        TYR  21  -3.351  -8.080   0.628
  128    HA   TYR  21           HA       TYR  21  -0.491  -7.372   0.464
  129   1HB   TYR  21          2HB       TYR  21  -2.784  -5.920  -0.884
  130   2HB   TYR  21          1HB       TYR  21  -1.060  -5.726  -1.189
  131    HD1  TYR  21           1HD      TYR  21   0.208  -7.543  -2.313
  132    HD2  TYR  21           2HD      TYR  21  -4.027  -7.665  -1.948
  133    HE1  TYR  21           1HE      TYR  21   0.113  -9.264  -4.065
  134    HE2  TYR  21           2HE      TYR  21  -4.134  -9.386  -3.700
  135    HH   TYR  21           HH       TYR  21  -1.760 -10.015  -5.811
  136    H    LEU  22           H        LEU  22   0.269  -5.472   1.327
  137    HA   LEU  22           HA       LEU  22  -1.533  -4.085   3.200
  138   1HB   LEU  22          2HB       LEU  22  -0.093  -5.661   4.391
  139   2HB   LEU  22          1HB       LEU  22   1.324  -4.953   3.646
  140    HG   LEU  22           HG       LEU  22   0.765  -2.802   4.828
  141   1HD1  LEU  22          1HD1      LEU  22  -1.328  -4.586   6.020
  142   2HD1  LEU  22          2HD1      LEU  22  -1.503  -2.966   5.347
  143   3HD1  LEU  22          3HD1      LEU  22  -0.694  -3.194   6.897
  144   1HD2  LEU  22          1HD2      LEU  22   1.968  -3.408   6.684
  145   2HD2  LEU  22          2HD2      LEU  22   2.324  -4.761   5.609
  146   3HD2  LEU  22          3HD2      LEU  22   1.111  -4.937   6.878
  147    H    CYS  23           H        CYS  23  -1.234  -1.877   3.415
  148    HA   CYS  23           HA       CYS  23  -0.053  -0.500   1.241
  149   1HB   CYS  23          2HB       CYS  23  -1.968   0.449   2.420
  150   2HB   CYS  23          1HB       CYS  23  -1.040   0.535   3.912
  151    H    SER  24           H        SER  24   2.004  -0.006   0.942
  152    HA   SER  24           HA       SER  24   3.732   0.263   3.305
  153   1HB   SER  24          2HB       SER  24   5.565  -0.720   1.881
  154   2HB   SER  24          1HB       SER  24   4.277  -1.849   2.296
  155    HG   SER  24           HG       SER  24   3.593  -0.646   0.035
  156    H    CYS  25           H        CYS  25   5.166   1.937   3.284
  157    HA   CYS  25           HA       CYS  25   5.339   3.559   0.856
  158   1HB   CYS  25          2HB       CYS  25   3.649   4.357   2.743
  159   2HB   CYS  25          1HB       CYS  25   5.127   4.943   3.500
  160    H    ILE  26           H        ILE  26   7.402   2.990   0.456
  161    HA   ILE  26           HA       ILE  26   9.381   3.468   2.570
  162    HB   ILE  26           HB       ILE  26  10.930   2.068   1.145
  163   1HG1  ILE  26          2HG1      ILE  26   9.323   2.253  -0.894
  164   2HG1  ILE  26          1HG1      ILE  26  10.158   0.733  -0.604
  165   1HG2  ILE  26          1HG2      ILE  26   9.753   1.307   3.210
  166   2HG2  ILE  26          2HG2      ILE  26  10.184   0.017   2.087
  167   3HG2  ILE  26          3HG2      ILE  26   8.519   0.591   2.173
  168   1HD1  ILE  26          1HD1      ILE  26   7.489   1.012   0.621
  169   2HD1  ILE  26          2HD1      ILE  26   8.248  -0.380  -0.151
  170   3HD1  ILE  26          3HD1      ILE  26   7.548   0.903  -1.137
  171    H    PHE  27           H        PHE  27  11.645   3.657   1.069
  172    HA   PHE  27           HA       PHE  27  11.571   6.376   0.300
  173   1HB   PHE  27          2HB       PHE  27  13.696   4.256   0.128
  174   2HB   PHE  27          1HB       PHE  27  13.964   5.896  -0.442
  175    HD1  PHE  27           1HD      PHE  27  15.228   7.137   0.998
  176    HD2  PHE  27           2HD      PHE  27  12.434   4.364   2.616
  177    HE1  PHE  27           1HE      PHE  27  15.871   7.820   3.271
  178    HE2  PHE  27           2HE      PHE  27  13.071   5.045   4.892
  179    HZ   PHE  27           HZ       PHE  27  14.791   6.775   5.222
  180    H    PHE  28           H        PHE  28  12.441   3.517  -1.655
  181    HA   PHE  28           HA       PHE  28  12.398   5.002  -4.081
  182   1HB   PHE  28          2HB       PHE  28  13.791   2.944  -3.610
  183   2HB   PHE  28          1HB       PHE  28  12.324   1.997  -3.824
  184    HD1  PHE  28           1HD      PHE  28  13.464   4.969  -5.740
  185    HD2  PHE  28           2HD      PHE  28  12.733   0.777  -5.761
  186    HE1  PHE  28           1HE      PHE  28  13.862   4.916  -8.167
  187    HE2  PHE  28           2HE      PHE  28  13.130   0.717  -8.188
  188    HZ   PHE  28           HZ       PHE  28  13.695   2.788  -9.394
  189    H    TYR  29           H        TYR  29  10.069   2.945  -2.450
  190    HA   TYR  29           HA       TYR  29   8.200   3.409  -4.677
  191   1HB   TYR  29          2HB       TYR  29   8.329   1.216  -2.623
  192   2HB   TYR  29          1HB       TYR  29   6.846   1.560  -3.502
  193    HD1  TYR  29           1HD      TYR  29   6.432   0.118  -5.216
  194    HD2  TYR  29           2HD      TYR  29  10.472   1.159  -4.394
  195    HE1  TYR  29           1HE      TYR  29   7.171  -1.329  -7.058
  196    HE2  TYR  29           2HE      TYR  29  11.223  -0.284  -6.240
  197    HH   TYR  29           HH       TYR  29  10.559  -1.482  -8.030
  198    HA   PRO  30           HA       PRO  30   6.084   6.212  -1.961
  199   1HB   PRO  30          2HB       PRO  30   3.885   6.575  -3.517
  200   2HB   PRO  30          1HB       PRO  30   5.441   7.342  -3.856
  201   1HG   PRO  30          2HG       PRO  30   4.226   4.899  -5.080
  202   2HG   PRO  30          1HG       PRO  30   5.110   6.221  -5.861
  203   1HD   PRO  30          2HD       PRO  30   6.252   3.830  -5.287
  204   2HD   PRO  30          1HD       PRO  30   7.164   5.350  -5.293
  205    H    CYS  31           H        CYS  31   3.729   6.409  -1.150
  206    HA   CYS  31           HA       CYS  31   3.071   4.123   0.306
  207   1HB   CYS  31          2HB       CYS  31   1.388   6.543  -0.375
  208   2HB   CYS  31          1HB       CYS  31   0.927   5.324   0.803
  209    H    SER  32           H        SER  32   2.615   2.280  -0.749
  210    HA   SER  32           HA       SER  32   0.139   2.145  -2.243
  211   1HB   SER  32          2HB       SER  32   1.372   0.849  -4.097
  212   2HB   SER  32          1HB       SER  32   1.518   2.608  -4.098
  213    HG   SER  32           HG       SER  32   3.520   2.251  -2.865
  214    H    CYS  33           H        CYS  33  -0.824   0.167  -2.113
  215    HA   CYS  33           HA       CYS  33   0.143  -1.620  -0.118
  216   1HB   CYS  33          2HB       CYS  33  -2.083  -2.176  -2.088
  217   2HB   CYS  33          1HB       CYS  33  -1.838  -2.906  -0.509
  218    H    ARG  34           H        ARG  34   1.380  -3.280  -0.318
  219    HA   ARG  34           HA       ARG  34   1.823  -4.572  -2.930
  220   1HB   ARG  34          2HB       ARG  34   4.016  -4.054  -0.897
  221   2HB   ARG  34          1HB       ARG  34   4.195  -4.667  -2.534
  222   1HG   ARG  34          2HG       ARG  34   3.142  -1.915  -1.994
  223   2HG   ARG  34          1HG       ARG  34   4.870  -2.254  -2.076
  224   1HD   ARG  34          2HD       ARG  34   4.685  -2.996  -4.339
  225   2HD   ARG  34          1HD       ARG  34   2.923  -2.945  -4.268
  226    HE   ARG  34           HE       ARG  34   3.682  -0.390  -3.697
  227   1HH1  ARG  34          1HH1      ARG  34   4.424  -2.570  -6.337
  228   2HH1  ARG  34          2HH1      ARG  34   4.499  -1.311  -7.521
  229   1HH2  ARG  34          1HH2      ARG  34   3.777   1.264  -5.233
  230   2HH2  ARG  34          2HH2      ARG  34   4.130   0.885  -6.893
  231    HA   PRO  35           HA       PRO  35   1.230  -8.476  -0.892
  232   1HB   PRO  35          2HB       PRO  35   4.139  -9.067  -1.234
  233   2HB   PRO  35          1HB       PRO  35   2.737 -10.066  -1.630
  234   1HG   PRO  35          2HG       PRO  35   4.102  -8.766  -3.530
  235   2HG   PRO  35          1HG       PRO  35   2.344  -8.966  -3.620
  236   1HD   PRO  35          2HD       PRO  35   3.938  -6.541  -3.012
  237   2HD   PRO  35          1HD       PRO  35   2.322  -6.686  -3.725
  238    H    LYS  36           H        LYS  36   1.229  -9.105   1.244
  239    HA   LYS  36           HA       LYS  36   2.703  -7.472   3.079
  240   1HB   LYS  36          2HB       LYS  36   0.356  -8.285   3.468
  241   2HB   LYS  36          1HB       LYS  36   1.003  -9.902   3.684
  242   1HG   LYS  36          2HG       LYS  36   2.029  -7.670   5.378
  243   2HG   LYS  36          1HG       LYS  36   0.469  -8.404   5.745
  244   1HD   LYS  36          2HD       LYS  36   1.548 -10.607   5.874
  245   2HD   LYS  36          1HD       LYS  36   3.107  -9.856   5.527
  246   1HE   LYS  36          2HE       LYS  36   2.931  -8.537   7.574
  247   2HE   LYS  36          1HE       LYS  36   1.360  -9.263   7.914
  248   1HZ   LYS  36          1HZ       LYS  36   3.453 -11.186   7.464
  249   2HZ   LYS  36          2HZ       LYS  36   2.308 -11.105   8.707
  250   3HZ   LYS  36          3HZ       LYS  36   3.731 -10.196   8.809
  251    H    GLY  37           H        GLY  37   4.797  -7.817   3.156
  252   1HA   GLY  37          2HA       GLY  37   6.606  -9.000   4.178
  253   2HA   GLY  37          1HA       GLY  37   5.746 -10.507   3.875
  254    H    TRP  38           H        TRP  38   6.429  -7.790   1.737
  255    HA   TRP  38           HA       TRP  38   7.266  -9.530  -0.375
  256   1HB   TRP  38          2HB       TRP  38   7.324  -7.583  -1.736
  257   2HB   TRP  38          1HB       TRP  38   5.966  -7.353  -0.643
  258    HD1  TRP  38           HD       TRP  38   9.212  -5.805  -1.711
  259    HE1  TRP  38           1HE      TRP  38   9.614  -3.621  -0.425
  260    HE3  TRP  38           3HE      TRP  38   5.513  -6.222   1.796
  261    HZ2  TRP  38           2HZ      TRP  38   8.520  -2.251   1.782
  262    HZ3  TRP  38           3HZ      TRP  38   5.264  -4.433   3.460
  263    HH2  TRP  38           HH       TRP  38   6.736  -2.487   3.452
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1 -15.467  -1.964   0.422
    2   2H    LYS   1          2HT       LYS   1 -14.223  -2.886   1.102
    3   3H    LYS   1          3HT       LYS   1 -15.079  -3.475  -0.234
    4    HA   LYS   1           HA       LYS   1 -13.841  -2.361  -1.693
    5   1HB   LYS   1          2HB       LYS   1 -13.895  -0.116   0.335
    6   2HB   LYS   1          1HB       LYS   1 -13.123   0.002  -1.236
    7   1HG   LYS   1          2HG       LYS   1 -15.274  -0.290  -2.333
    8   2HG   LYS   1          1HG       LYS   1 -16.061  -0.453  -0.759
    9   1HD   LYS   1          2HD       LYS   1 -16.315   1.820  -1.616
   10   2HD   LYS   1          1HD       LYS   1 -15.317   1.810  -0.160
   11   1HE   LYS   1          2HE       LYS   1 -13.360   1.602  -1.918
   12   2HE   LYS   1          1HE       LYS   1 -14.550   2.330  -2.994
   13   1HZ   LYS   1          1HZ       LYS   1 -12.903   3.616  -1.177
   14   2HZ   LYS   1          2HZ       LYS   1 -14.469   3.720  -0.529
   15   3HZ   LYS   1          3HZ       LYS   1 -14.162   4.302  -2.088
   16    H    CYS   2           H        CYS   2 -11.658  -2.511  -2.097
   17    HA   CYS   2           HA       CYS   2  -9.741  -2.013  -0.071
   18   1HB   CYS   2          2HB       CYS   2  -8.759  -4.227   0.110
   19   2HB   CYS   2          1HB       CYS   2 -10.411  -4.228   0.686
   20    H    LEU   3           H        LEU   3  -7.665  -1.991  -0.799
   21    HA   LEU   3           HA       LEU   3  -7.440  -1.472  -3.633
   22   1HB   LEU   3          2HB       LEU   3  -5.495  -1.179  -1.351
   23   2HB   LEU   3          1HB       LEU   3  -5.188  -0.656  -2.990
   24    HG   LEU   3           HG       LEU   3  -7.383   0.398  -1.212
   25   1HD1  LEU   3          1HD1      LEU   3  -6.079   2.171  -0.663
   26   2HD1  LEU   3          2HD1      LEU   3  -5.135   2.081  -2.150
   27   3HD1  LEU   3          3HD1      LEU   3  -4.823   0.944  -0.837
   28   1HD2  LEU   3          1HD2      LEU   3  -6.887   0.601  -4.065
   29   2HD2  LEU   3          2HD2      LEU   3  -6.946   2.181  -3.282
   30   3HD2  LEU   3          3HD2      LEU   3  -8.307   1.068  -3.128
   31    H    ALA   4           H        ALA   4  -6.325  -2.658  -5.110
   32    HA   ALA   4           HA       ALA   4  -5.633  -5.352  -4.400
   33   1HB   ALA   4          1HB       ALA   4  -5.142  -5.617  -6.797
   34   2HB   ALA   4          2HB       ALA   4  -5.392  -3.885  -7.022
   35   3HB   ALA   4          3HB       ALA   4  -6.733  -4.911  -6.509
   36    H    GLU   5           H        GLU   5  -3.507  -6.038  -5.903
   37    HA   GLU   5           HA       GLU   5  -1.338  -5.095  -4.323
   38   1HB   GLU   5          2HB       GLU   5   0.029  -6.651  -5.690
   39   2HB   GLU   5          1HB       GLU   5  -1.366  -7.408  -4.934
   40   1HG   GLU   5          2HG       GLU   5  -2.572  -7.278  -7.066
   41   2HG   GLU   5          1HG       GLU   5  -1.140  -6.566  -7.814
   42    H    ALA   6           H        ALA   6   0.253  -3.808  -4.790
   43    HA   ALA   6           HA       ALA   6   1.460  -2.144  -5.716
   44   1HB   ALA   6          1HB       ALA   6   0.771  -3.786  -8.095
   45   2HB   ALA   6          2HB       ALA   6   2.348  -3.352  -7.435
   46   3HB   ALA   6          3HB       ALA   6   1.428  -2.172  -8.369
   47    H    ALA   7           H        ALA   7  -1.155  -1.626  -4.905
   48    HA   ALA   7           HA       ALA   7  -2.050   0.370  -6.881
   49   1HB   ALA   7          1HB       ALA   7  -3.505  -1.570  -5.463
   50   2HB   ALA   7          2HB       ALA   7  -4.139  -0.281  -6.487
   51   3HB   ALA   7          3HB       ALA   7  -3.938  -0.015  -4.755
   52    H    ASP   8           H        ASP   8  -2.207   2.509  -6.294
   53    HA   ASP   8           HA       ASP   8  -0.594   3.438  -4.195
   54   1HB   ASP   8          2HB       ASP   8  -1.527   5.664  -4.702
   55   2HB   ASP   8          1HB       ASP   8  -1.040   4.806  -6.159
   56    H    CYS   9           H        CYS   9  -1.116   4.470  -2.228
   57    HA   CYS   9           HA       CYS   9  -3.841   4.320  -1.258
   58   1HB   CYS   9          2HB       CYS   9  -3.157   2.989   0.763
   59   2HB   CYS   9          1HB       CYS   9  -3.164   2.079  -0.743
   60    H    SER  10           H        SER  10  -3.484   4.685   1.381
   61    HA   SER  10           HA       SER  10  -1.508   6.720   1.905
   62   1HB   SER  10          2HB       SER  10  -4.467   7.385   1.861
   63   2HB   SER  10          1HB       SER  10  -3.219   8.418   2.558
   64    HG   SER  10           HG       SER  10  -2.671   7.616  -0.010
   65    HA   PRO  11           HA       PRO  11  -1.607   4.912   5.885
   66   1HB   PRO  11          2HB       PRO  11  -1.215   7.237   7.376
   67   2HB   PRO  11          1HB       PRO  11   0.054   6.234   6.666
   68   1HG   PRO  11          2HG       PRO  11  -1.176   8.750   5.633
   69   2HG   PRO  11          1HG       PRO  11   0.509   8.208   5.554
   70   1HD   PRO  11          2HD       PRO  11  -1.077   8.075   3.419
   71   2HD   PRO  11          1HD       PRO  11   0.104   6.793   3.765
   72    H    TRP  12           H        TRP  12  -3.574   7.856   5.476
   73    HA   TRP  12           HA       TRP  12  -5.526   6.643   7.316
   74   1HB   TRP  12          2HB       TRP  12  -4.968   9.608   7.108
   75   2HB   TRP  12          1HB       TRP  12  -6.093   8.825   8.209
   76    HD1  TRP  12           HD       TRP  12  -4.949   7.315  10.211
   77    HE1  TRP  12           1HE      TRP  12  -2.710   7.651  11.436
   78    HE3  TRP  12           3HE      TRP  12  -2.646  10.418   6.862
   79    HZ2  TRP  12           2HZ      TRP  12  -0.292   9.052  11.039
   80    HZ3  TRP  12           3HZ      TRP  12  -0.373  11.216   7.363
   81    HH2  TRP  12           HH       TRP  12   0.778  10.546   9.409
   82    H    SER  13           H        SER  13  -5.182   9.211   4.876
   83    HA   SER  13           HA       SER  13  -7.967   9.091   4.193
   84   1HB   SER  13          2HB       SER  13  -6.704  11.212   4.145
   85   2HB   SER  13          1HB       SER  13  -5.697  10.576   2.846
   86    HG   SER  13           HG       SER  13  -7.520  10.487   1.529
   87    H    GLY  14           H        GLY  14  -7.500   6.609   3.747
   88   1HA   GLY  14          2HA       GLY  14  -7.739   6.303   0.910
   89   2HA   GLY  14          1HA       GLY  14  -6.198   5.698   1.500
   90    H    ASP  15           H        ASP  15  -8.409   4.268   0.259
   91    HA   ASP  15           HA       ASP  15  -9.888   2.767   2.127
   92   1HB   ASP  15          2HB       ASP  15  -9.135   2.402  -0.749
   93   2HB   ASP  15          1HB       ASP  15  -9.841   1.048   0.119
   94    H    SER  16           H        SER  16  -9.599   0.514   2.705
   95    HA   SER  16           HA       SER  16  -6.885  -0.034   3.485
   96   1HB   SER  16          2HB       SER  16  -9.230  -1.906   3.754
   97   2HB   SER  16          1HB       SER  16  -7.781  -1.835   4.751
   98    HG   SER  16           HG       SER  16  -8.853   0.544   4.899
   99    H    CYS  17           H        CYS  17  -5.581  -1.670   2.735
  100    HA   CYS  17           HA       CYS  17  -5.976  -2.450   0.006
  101   1HB   CYS  17          2HB       CYS  17  -3.852  -3.546   1.840
  102   2HB   CYS  17          1HB       CYS  17  -3.779  -3.300   0.099
  103    H    CYS  18           H        CYS  18  -6.416  -4.464  -0.820
  104    HA   CYS  18           HA       CYS  18  -7.935  -6.313   0.673
  105   1HB   CYS  18          2HB       CYS  18  -6.407  -6.874  -1.882
  106   2HB   CYS  18          1HB       CYS  18  -7.783  -7.770  -1.266
  107    H    LYS  19           H        LYS  19  -7.374  -8.340   1.488
  108    HA   LYS  19           HA       LYS  19  -4.616  -8.482   2.314
  109   1HB   LYS  19          2HB       LYS  19  -6.794 -10.467   2.935
  110   2HB   LYS  19          1HB       LYS  19  -5.283 -10.230   3.783
  111   1HG   LYS  19          2HG       LYS  19  -7.691  -8.451   3.777
  112   2HG   LYS  19          1HG       LYS  19  -6.925  -9.256   5.145
  113   1HD   LYS  19          2HD       LYS  19  -5.734  -7.007   3.516
  114   2HD   LYS  19          1HD       LYS  19  -6.431  -6.858   5.128
  115   1HE   LYS  19          2HE       LYS  19  -4.700  -8.221   6.070
  116   2HE   LYS  19          1HE       LYS  19  -4.076  -8.619   4.469
  117   1HZ   LYS  19          1HZ       LYS  19  -4.192  -5.822   5.415
  118   2HZ   LYS  19          2HZ       LYS  19  -3.237  -6.479   4.180
  119   3HZ   LYS  19          3HZ       LYS  19  -2.883  -6.821   5.800
  120    HA   PRO  20           HA       PRO  20  -3.466  -9.952   3.136
  121   1HB   PRO  20          2HB       PRO  20  -1.179 -11.317   2.939
  122   2HB   PRO  20          1HB       PRO  20  -2.719 -12.137   3.217
  123   1HG   PRO  20          2HG       PRO  20  -1.074 -11.997   0.756
  124   2HG   PRO  20          1HG       PRO  20  -2.190 -13.262   1.294
  125   1HD   PRO  20          2HD       PRO  20  -2.696 -11.153  -0.574
  126   2HD   PRO  20          1HD       PRO  20  -3.836 -12.379   0.017
  127    H    TYR  21           H        TYR  21  -3.274  -8.092   0.842
  128    HA   TYR  21           HA       TYR  21  -0.445  -7.410   0.704
  129   1HB   TYR  21          2HB       TYR  21  -2.745  -5.769  -0.402
  130   2HB   TYR  21          1HB       TYR  21  -1.052  -5.720  -0.877
  131    HD1  TYR  21           1HD      TYR  21  -4.226  -7.045  -1.678
  132    HD2  TYR  21           2HD      TYR  21  -0.075  -7.961  -1.815
  133    HE1  TYR  21           1HE      TYR  21  -4.662  -8.733  -3.412
  134    HE2  TYR  21           2HE      TYR  21  -0.497  -9.645  -3.552
  135    HH   TYR  21           HH       TYR  21  -2.266 -10.067  -5.328
  136    H    LEU  22           H        LEU  22   0.260  -5.175   1.144
  137    HA   LEU  22           HA       LEU  22  -1.161  -3.919   3.388
  138   1HB   LEU  22          2HB       LEU  22   0.524  -5.445   4.314
  139   2HB   LEU  22          1HB       LEU  22   1.764  -4.677   3.342
  140    HG   LEU  22           HG       LEU  22   1.312  -2.547   4.609
  141   1HD1  LEU  22          1HD1      LEU  22   0.167  -2.769   6.774
  142   2HD1  LEU  22          2HD1      LEU  22  -0.307  -4.411   6.336
  143   3HD1  LEU  22          3HD1      LEU  22  -0.915  -3.040   5.409
  144   1HD2  LEU  22          1HD2      LEU  22   2.147  -3.978   6.850
  145   2HD2  LEU  22          2HD2      LEU  22   3.167  -3.248   5.611
  146   3HD2  LEU  22          3HD2      LEU  22   2.678  -4.937   5.469
  147    H    CYS  23           H        CYS  23  -0.939  -1.704   3.491
  148    HA   CYS  23           HA       CYS  23  -0.051  -0.361   1.127
  149   1HB   CYS  23          2HB       CYS  23  -2.002   0.424   2.340
  150   2HB   CYS  23          1HB       CYS  23  -1.028   0.721   3.771
  151    H    SER  24           H        SER  24   2.105  -0.890   1.068
  152    HA   SER  24           HA       SER  24   3.907  -0.089   3.164
  153   1HB   SER  24          2HB       SER  24   5.659  -0.842   1.514
  154   2HB   SER  24          1HB       SER  24   4.468  -2.072   1.930
  155    HG   SER  24           HG       SER  24   3.675  -0.577  -0.197
  156    H    CYS  25           H        CYS  25   5.156   1.720   3.230
  157    HA   CYS  25           HA       CYS  25   5.120   3.509   0.912
  158   1HB   CYS  25          2HB       CYS  25   3.381   4.052   2.795
  159   2HB   CYS  25          1HB       CYS  25   4.787   4.642   3.672
  160    H    ILE  26           H        ILE  26   7.248   2.361   0.864
  161    HA   ILE  26           HA       ILE  26   9.193   3.213   2.825
  162    HB   ILE  26           HB       ILE  26  10.839   1.982   1.360
  163   1HG1  ILE  26          2HG1      ILE  26   9.262   2.112  -0.689
  164   2HG1  ILE  26          1HG1      ILE  26  10.163   0.626  -0.424
  165   1HG2  ILE  26          1HG2      ILE  26   9.327  -0.263   1.913
  166   2HG2  ILE  26          2HG2      ILE  26   8.732   0.949   3.048
  167   3HG2  ILE  26          3HG2      ILE  26  10.450   0.550   3.004
  168   1HD1  ILE  26          1HD1      ILE  26   7.730   0.413  -1.102
  169   2HD1  ILE  26          2HD1      ILE  26   7.338   0.963   0.527
  170   3HD1  ILE  26          3HD1      ILE  26   8.253  -0.527   0.296
  171    H    PHE  27           H        PHE  27  11.453   3.662   1.471
  172    HA   PHE  27           HA       PHE  27  11.114   6.360   0.625
  173   1HB   PHE  27          2HB       PHE  27  13.529   4.555   0.686
  174   2HB   PHE  27          1HB       PHE  27  13.596   6.251   0.222
  175    HD1  PHE  27           1HD      PHE  27  12.145   4.239   3.029
  176    HD2  PHE  27           2HD      PHE  27  14.361   7.670   1.836
  177    HE1  PHE  27           1HE      PHE  27  12.414   4.879   5.387
  178    HE2  PHE  27           2HE      PHE  27  14.635   8.315   4.194
  179    HZ   PHE  27           HZ       PHE  27  13.661   6.920   5.973
  180    H    PHE  28           H        PHE  28  12.309   3.460  -1.062
  181    HA   PHE  28           HA       PHE  28  12.544   4.801  -3.559
  182   1HB   PHE  28          2HB       PHE  28  13.843   2.748  -2.795
  183   2HB   PHE  28          1HB       PHE  28  12.404   1.814  -3.185
  184    HD1  PHE  28           1HD      PHE  28  13.869   4.706  -5.003
  185    HD2  PHE  28           2HD      PHE  28  13.041   0.531  -5.016
  186    HE1  PHE  28           1HE      PHE  28  14.603   4.572  -7.348
  187    HE2  PHE  28           2HE      PHE  28  13.774   0.390  -7.360
  188    HZ   PHE  28           HZ       PHE  28  14.555   2.412  -8.530
  189    H    TYR  29           H        TYR  29   9.934   3.209  -1.963
  190    HA   TYR  29           HA       TYR  29   8.308   3.595  -4.384
  191   1HB   TYR  29          2HB       TYR  29   8.033   1.263  -2.473
  192   2HB   TYR  29          1HB       TYR  29   7.005   1.584  -3.862
  193    HD1  TYR  29           1HD      TYR  29   7.921   1.330  -6.157
  194    HD2  TYR  29           2HD      TYR  29  10.138   0.178  -2.713
  195    HE1  TYR  29           1HE      TYR  29   9.391  -0.042  -7.571
  196    HE2  TYR  29           2HE      TYR  29  11.619  -1.192  -4.118
  197    HH   TYR  29           HH       TYR  29  12.182  -0.956  -6.986
  198    HA   PRO  30           HA       PRO  30   6.073   6.139  -1.477
  199   1HB   PRO  30          2HB       PRO  30   4.095   6.266  -3.663
  200   2HB   PRO  30          1HB       PRO  30   4.976   7.574  -2.866
  201   1HG   PRO  30          2HG       PRO  30   5.560   6.818  -5.369
  202   2HG   PRO  30          1HG       PRO  30   6.821   7.349  -4.238
  203   1HD   PRO  30          2HD       PRO  30   6.067   4.572  -5.072
  204   2HD   PRO  30          1HD       PRO  30   7.679   5.274  -4.816
  205    H    CYS  31           H        CYS  31   3.725   6.298  -0.787
  206    HA   CYS  31           HA       CYS  31   2.885   3.951   0.368
  207   1HB   CYS  31          2HB       CYS  31   1.284   6.411  -0.339
  208   2HB   CYS  31          1HB       CYS  31   0.666   5.107   0.662
  209    H    SER  32           H        SER  32   2.451   2.159  -0.692
  210    HA   SER  32           HA       SER  32   0.175   2.062  -2.460
  211   1HB   SER  32          2HB       SER  32   1.527   0.762  -4.197
  212   2HB   SER  32          1HB       SER  32   1.791   2.504  -4.152
  213    HG   SER  32           HG       SER  32   3.651   2.051  -2.807
  214    H    CYS  33           H        CYS  33  -0.857   0.127  -2.308
  215    HA   CYS  33           HA       CYS  33   0.000  -1.688  -0.273
  216   1HB   CYS  33          2HB       CYS  33  -2.214  -2.203  -2.260
  217   2HB   CYS  33          1HB       CYS  33  -2.029  -2.858  -0.645
  218    H    ARG  34           H        ARG  34   1.157  -3.445  -0.497
  219    HA   ARG  34           HA       ARG  34   1.389  -4.778  -3.092
  220   1HB   ARG  34          2HB       ARG  34   3.928  -4.449  -1.574
  221   2HB   ARG  34          1HB       ARG  34   3.671  -4.531  -3.310
  222   1HG   ARG  34          2HG       ARG  34   2.568  -2.163  -2.887
  223   2HG   ARG  34          1HG       ARG  34   3.634  -2.196  -1.486
  224   1HD   ARG  34          2HD       ARG  34   4.890  -1.149  -3.151
  225   2HD   ARG  34          1HD       ARG  34   5.485  -2.810  -3.134
  226    HE   ARG  34           HE       ARG  34   3.441  -2.693  -5.007
  227   1HH1  ARG  34          1HH1      ARG  34   6.584  -1.264  -4.531
  228   2HH1  ARG  34          2HH1      ARG  34   6.917  -1.096  -6.222
  229   1HH2  ARG  34          1HH2      ARG  34   3.855  -2.473  -7.254
  230   2HH2  ARG  34          2HH2      ARG  34   5.354  -1.786  -7.779
  231    HA   PRO  35           HA       PRO  35   1.181  -8.598  -0.896
  232   1HB   PRO  35          2HB       PRO  35   4.027  -9.133  -1.641
  233   2HB   PRO  35          1HB       PRO  35   2.609 -10.178  -1.798
  234   1HG   PRO  35          2HG       PRO  35   3.625  -8.912  -3.918
  235   2HG   PRO  35          1HG       PRO  35   1.877  -9.124  -3.722
  236   1HD   PRO  35          2HD       PRO  35   3.530  -6.679  -3.406
  237   2HD   PRO  35          1HD       PRO  35   1.831  -6.840  -3.883
  238    H    LYS  36           H        LYS  36   1.508  -9.237   1.205
  239    HA   LYS  36           HA       LYS  36   3.135  -7.541   2.839
  240   1HB   LYS  36          2HB       LYS  36   1.021  -8.316   3.718
  241   2HB   LYS  36          1HB       LYS  36   1.495  -9.995   3.490
  242   1HG   LYS  36          2HG       LYS  36   3.460  -9.310   5.104
  243   2HG   LYS  36          1HG       LYS  36   2.315  -8.059   5.590
  244   1HD   LYS  36          2HD       LYS  36   2.132 -10.054   7.004
  245   2HD   LYS  36          1HD       LYS  36   0.647  -9.761   6.097
  246   1HE   LYS  36          2HE       LYS  36   1.306 -12.147   6.130
  247   2HE   LYS  36          1HE       LYS  36   1.223 -11.476   4.503
  248   1HZ   LYS  36          1HZ       LYS  36   3.789 -11.552   5.958
  249   2HZ   LYS  36          2HZ       LYS  36   3.516 -11.493   4.286
  250   3HZ   LYS  36          3HZ       LYS  36   3.227 -12.926   5.144
  251    H    GLY  37           H        GLY  37   5.253  -7.798   2.743
  252   1HA   GLY  37          2HA       GLY  37   7.221  -8.899   3.478
  253   2HA   GLY  37          1HA       GLY  37   6.377 -10.440   3.344
  254    H    TRP  38           H        TRP  38   6.703  -7.775   1.071
  255    HA   TRP  38           HA       TRP  38   7.245  -9.526  -1.118
  256   1HB   TRP  38          2HB       TRP  38   7.214  -7.537  -2.470
  257   2HB   TRP  38          1HB       TRP  38   5.937  -7.378  -1.272
  258    HD1  TRP  38           HD       TRP  38   9.032  -5.687  -2.543
  259    HE1  TRP  38           1HE      TRP  38   9.488  -3.548  -1.199
  260    HE3  TRP  38           3HE      TRP  38   5.665  -6.365   1.249
  261    HZ2  TRP  38           2HZ      TRP  38   8.552  -2.305   1.152
  262    HZ3  TRP  38           3HZ      TRP  38   5.513  -4.654   3.006
  263    HH2  TRP  38           HH       TRP  38   6.927  -2.667   2.958
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1 -14.431  -3.471  -1.023
    2   2H    LYS   1          2HT       LYS   1 -14.654  -4.312  -2.475
    3   3H    LYS   1          3HT       LYS   1 -15.604  -2.955  -2.129
    4    HA   LYS   1           HA       LYS   1 -13.463  -2.866  -3.683
    5   1HB   LYS   1          2HB       LYS   1 -14.458  -0.751  -1.751
    6   2HB   LYS   1          1HB       LYS   1 -13.430  -0.420  -3.139
    7   1HG   LYS   1          2HG       LYS   1 -15.164  -1.164  -4.647
    8   2HG   LYS   1          1HG       LYS   1 -16.186  -1.623  -3.287
    9   1HD   LYS   1          2HD       LYS   1 -16.986   0.472  -4.064
   10   2HD   LYS   1          1HD       LYS   1 -16.122   0.789  -2.563
   11   1HE   LYS   1          2HE       LYS   1 -14.622   1.002  -5.125
   12   2HE   LYS   1          1HE       LYS   1 -15.768   2.277  -4.727
   13   1HZ   LYS   1          1HZ       LYS   1 -13.245   1.553  -3.404
   14   2HZ   LYS   1          2HZ       LYS   1 -14.488   2.196  -2.451
   15   3HZ   LYS   1          3HZ       LYS   1 -13.885   3.080  -3.756
   16    H    CYS   2           H        CYS   2 -11.286  -2.860  -3.545
   17    HA   CYS   2           HA       CYS   2  -9.906  -1.978  -1.209
   18   1HB   CYS   2          2HB       CYS   2  -8.754  -4.101  -0.716
   19   2HB   CYS   2          1HB       CYS   2 -10.479  -4.198  -0.403
   20    H    LEU   3           H        LEU   3  -7.634  -1.954  -1.488
   21    HA   LEU   3           HA       LEU   3  -6.911  -1.372  -4.208
   22   1HB   LEU   3          2HB       LEU   3  -5.280  -1.332  -1.677
   23   2HB   LEU   3          1HB       LEU   3  -4.791  -0.656  -3.214
   24    HG   LEU   3           HG       LEU   3  -7.124   0.279  -1.554
   25   1HD1  LEU   3          1HD1      LEU   3  -4.576   0.716  -0.948
   26   2HD1  LEU   3          2HD1      LEU   3  -5.830   1.935  -0.721
   27   3HD1  LEU   3          3HD1      LEU   3  -4.789   1.994  -2.144
   28   1HD2  LEU   3          1HD2      LEU   3  -5.963   1.645  -3.965
   29   2HD2  LEU   3          2HD2      LEU   3  -7.495   1.959  -3.149
   30   3HD2  LEU   3          3HD2      LEU   3  -7.286   0.484  -4.094
   31    H    ALA   4           H        ALA   4  -5.813  -2.613  -5.582
   32    HA   ALA   4           HA       ALA   4  -5.185  -5.322  -4.868
   33   1HB   ALA   4          1HB       ALA   4  -4.207  -4.612  -7.460
   34   2HB   ALA   4          2HB       ALA   4  -5.822  -3.941  -7.228
   35   3HB   ALA   4          3HB       ALA   4  -5.547  -5.671  -7.025
   36    H    GLU   5           H        GLU   5  -3.004  -5.716  -6.611
   37    HA   GLU   5           HA       GLU   5  -0.855  -5.290  -4.822
   38   1HB   GLU   5          2HB       GLU   5  -0.679  -6.126  -7.715
   39   2HB   GLU   5          1HB       GLU   5   0.535  -6.364  -6.471
   40   1HG   GLU   5          2HG       GLU   5  -0.497  -8.450  -6.842
   41   2HG   GLU   5          1HG       GLU   5  -1.091  -7.855  -5.294
   42    H    ALA   6           H        ALA   6   0.638  -3.790  -4.746
   43    HA   ALA   6           HA       ALA   6   1.802  -1.877  -5.097
   44   1HB   ALA   6          1HB       ALA   6   1.819  -1.491  -7.856
   45   2HB   ALA   6          2HB       ALA   6   1.722  -3.239  -7.640
   46   3HB   ALA   6          3HB       ALA   6   3.034  -2.329  -6.892
   47    H    ALA   7           H        ALA   7  -0.822  -1.451  -4.449
   48    HA   ALA   7           HA       ALA   7  -1.582   0.781  -6.235
   49   1HB   ALA   7          1HB       ALA   7  -3.234  -1.110  -4.612
   50   2HB   ALA   7          2HB       ALA   7  -3.386  -0.664  -6.312
   51   3HB   ALA   7          3HB       ALA   7  -3.867   0.476  -5.055
   52    H    ASP   8           H        ASP   8  -1.414   2.786  -5.459
   53    HA   ASP   8           HA       ASP   8  -0.419   3.376  -2.913
   54   1HB   ASP   8          2HB       ASP   8  -1.138   5.746  -3.449
   55   2HB   ASP   8          1HB       ASP   8  -0.087   4.979  -4.634
   56    H    CYS   9           H        CYS   9  -1.346   4.027  -0.995
   57    HA   CYS   9           HA       CYS   9  -4.258   3.627  -0.862
   58   1HB   CYS   9          2HB       CYS   9  -4.024   2.768   1.352
   59   2HB   CYS   9          1HB       CYS   9  -2.854   1.938   0.342
   60    H    SER  10           H        SER  10  -4.903   4.527   1.523
   61    HA   SER  10           HA       SER  10  -3.868   7.178   2.018
   62   1HB   SER  10          2HB       SER  10  -6.691   6.748   0.997
   63   2HB   SER  10          1HB       SER  10  -6.124   8.240   1.746
   64    HG   SER  10           HG       SER  10  -4.556   7.283  -0.327
   65    HA   PRO  11           HA       PRO  11  -4.825   6.035   6.135
   66   1HB   PRO  11          2HB       PRO  11  -5.453   8.554   7.122
   67   2HB   PRO  11          1HB       PRO  11  -3.826   7.882   6.977
   68   1HG   PRO  11          2HG       PRO  11  -5.272   9.758   5.161
   69   2HG   PRO  11          1HG       PRO  11  -3.562   9.735   5.622
   70   1HD   PRO  11          2HD       PRO  11  -4.374   8.841   3.236
   71   2HD   PRO  11          1HD       PRO  11  -3.043   8.062   4.116
   72    H    TRP  12           H        TRP  12  -7.163   8.258   4.606
   73    HA   TRP  12           HA       TRP  12  -9.301   6.697   5.869
   74   1HB   TRP  12          2HB       TRP  12  -9.240   9.722   5.787
   75   2HB   TRP  12          1HB       TRP  12 -10.580   8.742   6.364
   76    HD1  TRP  12           HD       TRP  12 -10.120   7.333   8.682
   77    HE1  TRP  12           1HE      TRP  12  -8.634   7.931  10.694
   78    HE3  TRP  12           3HE      TRP  12  -7.156  10.870   6.480
   79    HZ2  TRP  12           2HZ      TRP  12  -6.494   9.678  11.276
   80    HZ3  TRP  12           3HZ      TRP  12  -5.418  11.962   7.837
   81    HH2  TRP  12           HH       TRP  12  -5.096  11.377  10.185
   82    H    SER  13           H        SER  13  -8.692   9.337   3.561
   83    HA   SER  13           HA       SER  13 -11.033   8.767   2.030
   84   1HB   SER  13          2HB       SER  13  -8.671  10.463   1.214
   85   2HB   SER  13          1HB       SER  13 -10.334  10.584   0.638
   86    HG   SER  13           HG       SER  13 -10.675  11.889   2.236
   87    H    GLY  14           H        GLY  14  -9.954   6.359   2.013
   88   1HA   GLY  14          2HA       GLY  14  -9.464   5.841  -0.736
   89   2HA   GLY  14          1HA       GLY  14  -7.966   5.733   0.175
   90    H    ASP  15           H        ASP  15  -9.502   3.675  -1.253
   91    HA   ASP  15           HA       ASP  15 -10.837   1.953   0.523
   92   1HB   ASP  15          2HB       ASP  15  -9.477   1.542  -2.121
   93   2HB   ASP  15          1HB       ASP  15 -10.064   0.160  -1.211
   94    H    SER  16           H        SER  16 -10.138   0.025   1.498
   95    HA   SER  16           HA       SER  16  -7.470   0.160   2.575
   96   1HB   SER  16          2HB       SER  16  -9.531  -2.017   2.972
   97   2HB   SER  16          1HB       SER  16  -8.157  -1.645   4.010
   98    HG   SER  16           HG       SER  16  -9.575   0.572   3.767
   99    H    CYS  17           H        CYS  17  -5.892  -1.521   2.339
  100    HA   CYS  17           HA       CYS  17  -5.606  -2.493  -0.293
  101   1HB   CYS  17          2HB       CYS  17  -4.200  -3.470   2.206
  102   2HB   CYS  17          1HB       CYS  17  -3.660  -3.706   0.550
  103    H    CYS  18           H        CYS  18  -5.943  -4.520  -1.180
  104    HA   CYS  18           HA       CYS  18  -7.929  -6.192  -0.014
  105   1HB   CYS  18          2HB       CYS  18  -5.992  -6.820  -2.265
  106   2HB   CYS  18          1HB       CYS  18  -7.428  -7.750  -1.862
  107    H    LYS  19           H        LYS  19  -7.687  -8.212   0.937
  108    HA   LYS  19           HA       LYS  19  -5.269  -8.474   2.448
  109   1HB   LYS  19          2HB       LYS  19  -6.419 -10.410   3.463
  110   2HB   LYS  19          1HB       LYS  19  -7.371  -8.941   3.524
  111   1HG   LYS  19          2HG       LYS  19  -8.710  -9.708   1.651
  112   2HG   LYS  19          1HG       LYS  19  -7.725 -11.167   1.528
  113   1HD   LYS  19          2HD       LYS  19  -9.314 -10.383   3.963
  114   2HD   LYS  19          1HD       LYS  19  -9.885 -11.497   2.720
  115   1HE   LYS  19          2HE       LYS  19  -7.965 -12.963   3.179
  116   2HE   LYS  19          1HE       LYS  19  -7.435 -11.854   4.444
  117   1HZ   LYS  19          1HZ       LYS  19 -10.153 -12.610   4.805
  118   2HZ   LYS  19          2HZ       LYS  19  -8.850 -12.761   5.872
  119   3HZ   LYS  19          3HZ       LYS  19  -9.154 -13.974   4.734
  120    HA   PRO  20           HA       PRO  20  -4.138  -9.593   3.400
  121   1HB   PRO  20          2HB       PRO  20  -1.913 -11.003   3.815
  122   2HB   PRO  20          1HB       PRO  20  -3.500 -11.781   3.848
  123   1HG   PRO  20          2HG       PRO  20  -1.365 -11.968   1.818
  124   2HG   PRO  20          1HG       PRO  20  -2.686 -13.093   2.164
  125   1HD   PRO  20          2HD       PRO  20  -2.549 -11.027   0.126
  126   2HD   PRO  20          1HD       PRO  20  -3.805 -12.259   0.375
  127    H    TYR  21           H        TYR  21  -3.371  -8.179   0.861
  128    HA   TYR  21           HA       TYR  21  -0.595  -7.548   1.016
  129   1HB   TYR  21          2HB       TYR  21  -2.739  -5.860  -0.308
  130   2HB   TYR  21          1HB       TYR  21  -1.007  -5.823  -0.609
  131    HD1  TYR  21           1HD      TYR  21  -4.076  -7.807  -1.090
  132    HD2  TYR  21           2HD      TYR  21   0.054  -7.418  -2.024
  133    HE1  TYR  21           1HE      TYR  21  -4.321  -9.504  -2.847
  134    HE2  TYR  21           2HE      TYR  21  -0.180  -9.112  -3.786
  135    HH   TYR  21           HH       TYR  21  -2.814  -9.930  -5.188
  136    H    LEU  22           H        LEU  22   0.351  -5.534   1.567
  137    HA   LEU  22           HA       LEU  22  -1.143  -4.016   3.599
  138   1HB   LEU  22          2HB       LEU  22   0.330  -5.633   4.696
  139   2HB   LEU  22          1HB       LEU  22   1.696  -5.028   3.780
  140    HG   LEU  22           HG       LEU  22   1.349  -2.805   4.927
  141   1HD1  LEU  22          1HD1      LEU  22  -0.416  -4.439   6.738
  142   2HD1  LEU  22          2HD1      LEU  22  -0.988  -3.220   5.599
  143   3HD1  LEU  22          3HD1      LEU  22   0.043  -2.750   6.951
  144   1HD2  LEU  22          1HD2      LEU  22   2.653  -5.131   5.769
  145   2HD2  LEU  22          2HD2      LEU  22   1.881  -4.469   7.210
  146   3HD2  LEU  22          3HD2      LEU  22   2.989  -3.473   6.266
  147    H    CYS  23           H        CYS  23  -0.870  -1.830   3.513
  148    HA   CYS  23           HA       CYS  23   0.483  -0.734   1.238
  149   1HB   CYS  23          2HB       CYS  23  -1.645   0.214   2.260
  150   2HB   CYS  23          1HB       CYS  23  -0.640   0.825   3.573
  151    H    SER  24           H        SER  24   2.533  -0.124   1.124
  152    HA   SER  24           HA       SER  24   3.957   0.385   3.644
  153   1HB   SER  24          2HB       SER  24   5.970  -0.641   2.378
  154   2HB   SER  24          1HB       SER  24   4.736  -1.734   2.996
  155    HG   SER  24           HG       SER  24   3.887  -1.914   0.953
  156    H    CYS  25           H        CYS  25   5.141   2.178   3.725
  157    HA   CYS  25           HA       CYS  25   5.187   3.891   1.354
  158   1HB   CYS  25          2HB       CYS  25   5.884   4.674   4.187
  159   2HB   CYS  25          1HB       CYS  25   5.458   5.734   2.848
  160    H    ILE  26           H        ILE  26   6.963   2.456   0.515
  161    HA   ILE  26           HA       ILE  26   9.501   2.650   1.860
  162    HB   ILE  26           HB       ILE  26  10.448   1.522  -0.154
  163   1HG1  ILE  26          2HG1      ILE  26   8.531   2.375  -1.675
  164   2HG1  ILE  26          1HG1      ILE  26   9.152   0.750  -1.937
  165   1HG2  ILE  26          1HG2      ILE  26   9.587  -0.635   0.408
  166   2HG2  ILE  26          2HG2      ILE  26   8.108   0.071   1.060
  167   3HG2  ILE  26          3HG2      ILE  26   9.648   0.343   1.874
  168   1HD1  ILE  26          1HD1      ILE  26   7.242  -0.245  -1.051
  169   2HD1  ILE  26          2HD1      ILE  26   6.621   1.114  -1.987
  170   3HD1  ILE  26          3HD1      ILE  26   6.736   1.232  -0.231
  171    H    PHE  27           H        PHE  27  11.382   3.108   0.056
  172    HA   PHE  27           HA       PHE  27  11.195   5.956  -0.318
  173   1HB   PHE  27          2HB       PHE  27  13.404   3.985  -0.885
  174   2HB   PHE  27          1HB       PHE  27  13.561   5.720  -1.116
  175    HD1  PHE  27           1HD      PHE  27  14.584   6.900   0.550
  176    HD2  PHE  27           2HD      PHE  27  12.494   3.335   1.567
  177    HE1  PHE  27           1HE      PHE  27  15.296   7.154   2.892
  178    HE2  PHE  27           2HE      PHE  27  13.199   3.586   3.910
  179    HZ   PHE  27           HZ       PHE  27  14.603   5.496   4.575
  180    H    PHE  28           H        PHE  28  11.738   3.165  -2.433
  181    HA   PHE  28           HA       PHE  28  11.877   4.621  -4.837
  182   1HB   PHE  28          2HB       PHE  28  11.274   1.720  -4.276
  183   2HB   PHE  28          1HB       PHE  28  11.391   2.367  -5.906
  184    HD1  PHE  28           1HD      PHE  28  13.356   1.881  -6.948
  185    HD2  PHE  28           2HD      PHE  28  13.410   2.632  -2.760
  186    HE1  PHE  28           1HE      PHE  28  15.790   1.527  -6.919
  187    HE2  PHE  28           2HE      PHE  28  15.844   2.283  -2.724
  188    HZ   PHE  28           HZ       PHE  28  17.037   1.730  -4.806
  189    H    TYR  29           H        TYR  29   9.206   3.493  -2.964
  190    HA   TYR  29           HA       TYR  29   7.369   4.741  -4.865
  191   1HB   TYR  29          2HB       TYR  29   7.013   1.932  -3.789
  192   2HB   TYR  29          1HB       TYR  29   5.758   2.845  -4.614
  193    HD1  TYR  29           1HD      TYR  29   5.793   3.123  -7.006
  194    HD2  TYR  29           2HD      TYR  29   8.939   1.053  -5.026
  195    HE1  TYR  29           1HE      TYR  29   6.558   2.231  -9.164
  196    HE2  TYR  29           2HE      TYR  29   9.717   0.162  -7.181
  197    HH   TYR  29           HH       TYR  29   9.320   1.194  -9.853
  198    HA   PRO  30           HA       PRO  30   5.811   6.411  -1.062
  199   1HB   PRO  30          2HB       PRO  30   3.288   6.849  -2.519
  200   2HB   PRO  30          1HB       PRO  30   4.374   8.028  -1.780
  201   1HG   PRO  30          2HG       PRO  30   4.173   7.773  -4.445
  202   2HG   PRO  30          1HG       PRO  30   5.711   8.172  -3.657
  203   1HD   PRO  30          2HD       PRO  30   4.759   5.548  -4.742
  204   2HD   PRO  30          1HD       PRO  30   6.370   6.291  -4.843
  205    H    CYS  31           H        CYS  31   3.492   6.328   0.089
  206    HA   CYS  31           HA       CYS  31   3.116   3.763   1.037
  207   1HB   CYS  31          2HB       CYS  31   1.063   5.984   0.956
  208   2HB   CYS  31          1HB       CYS  31   1.033   4.586   2.026
  209    H    SER  32           H        SER  32   2.673   2.082  -0.225
  210    HA   SER  32           HA       SER  32   0.140   2.070  -1.648
  211   1HB   SER  32          2HB       SER  32   1.372   1.001  -3.651
  212   2HB   SER  32          1HB       SER  32   1.480   2.750  -3.458
  213    HG   SER  32           HG       SER  32   3.514   2.369  -2.360
  214    H    CYS  33           H        CYS  33  -0.791   0.073  -1.781
  215    HA   CYS  33           HA       CYS  33   0.012  -1.906   0.042
  216   1HB   CYS  33          2HB       CYS  33  -1.861  -2.385  -2.269
  217   2HB   CYS  33          1HB       CYS  33  -1.862  -3.153  -0.696
  218    H    ARG  34           H        ARG  34   1.354  -3.475  -0.126
  219    HA   ARG  34           HA       ARG  34   2.174  -4.503  -2.757
  220   1HB   ARG  34          2HB       ARG  34   4.018  -4.117  -0.374
  221   2HB   ARG  34          1HB       ARG  34   4.471  -4.677  -1.970
  222   1HG   ARG  34          2HG       ARG  34   3.358  -1.939  -1.455
  223   2HG   ARG  34          1HG       ARG  34   5.080  -2.318  -1.437
  224   1HD   ARG  34          2HD       ARG  34   5.088  -2.883  -3.721
  225   2HD   ARG  34          1HD       ARG  34   3.327  -2.964  -3.786
  226    HE   ARG  34           HE       ARG  34   3.836  -0.386  -3.081
  227   1HH1  ARG  34          1HH1      ARG  34   5.004  -2.406  -5.689
  228   2HH1  ARG  34          2HH1      ARG  34   5.047  -1.116  -6.842
  229   1HH2  ARG  34          1HH2      ARG  34   3.873   1.311  -4.581
  230   2HH2  ARG  34          2HH2      ARG  34   4.398   1.013  -6.212
  231    HA   PRO  35           HA       PRO  35   1.304  -8.496  -1.105
  232   1HB   PRO  35          2HB       PRO  35   3.738  -9.846  -1.337
  233   2HB   PRO  35          1HB       PRO  35   2.478  -9.753  -2.567
  234   1HG   PRO  35          2HG       PRO  35   5.019  -8.245  -2.337
  235   2HG   PRO  35          1HG       PRO  35   4.119  -8.725  -3.785
  236   1HD   PRO  35          2HD       PRO  35   4.160  -6.187  -2.828
  237   2HD   PRO  35          1HD       PRO  35   2.789  -6.852  -3.723
  238    H    LYS  36           H        LYS  36   1.531  -9.790   0.772
  239    HA   LYS  36           HA       LYS  36   2.736  -8.389   2.970
  240   1HB   LYS  36          2HB       LYS  36   0.538  -9.730   2.975
  241   2HB   LYS  36          1HB       LYS  36   1.554 -11.161   3.072
  242   1HG   LYS  36          2HG       LYS  36   0.763 -10.507   5.268
  243   2HG   LYS  36          1HG       LYS  36   2.518 -10.336   5.162
  244   1HD   LYS  36          2HD       LYS  36   2.366  -7.977   4.967
  245   2HD   LYS  36          1HD       LYS  36   0.624  -8.043   4.694
  246   1HE   LYS  36          2HE       LYS  36   2.007  -8.850   7.249
  247   2HE   LYS  36          1HE       LYS  36   1.224  -7.294   6.973
  248   1HZ   LYS  36          1HZ       LYS  36  -0.011  -9.963   7.212
  249   2HZ   LYS  36          2HZ       LYS  36  -0.821  -8.707   6.420
  250   3HZ   LYS  36          3HZ       LYS  36  -0.388  -8.540   8.047
  251    H    GLY  37           H        GLY  37   4.820  -8.535   3.381
  252   1HA   GLY  37          2HA       GLY  37   6.845  -9.554   3.919
  253   2HA   GLY  37          1HA       GLY  37   6.141 -11.113   3.493
  254    H    TRP  38           H        TRP  38   6.415  -8.113   1.670
  255    HA   TRP  38           HA       TRP  38   7.169  -9.440  -0.722
  256   1HB   TRP  38          2HB       TRP  38   7.064  -7.313  -1.739
  257   2HB   TRP  38          1HB       TRP  38   5.856  -7.241  -0.463
  258    HD1  TRP  38           HD       TRP  38   9.202  -5.787  -1.509
  259    HE1  TRP  38           1HE      TRP  38   9.763  -3.765  -0.029
  260    HE3  TRP  38           3HE      TRP  38   5.421  -6.199   1.911
  261    HZ2  TRP  38           2HZ      TRP  38   8.744  -2.508   2.279
  262    HZ3  TRP  38           3HZ      TRP  38   5.291  -4.550   3.724
  263    HH2  TRP  38           HH       TRP  38   6.917  -2.740   3.903
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1 -14.575  -0.565  -1.910
    2   2H    LYS   1          2HT       LYS   1 -14.708  -0.176  -3.549
    3   3H    LYS   1          3HT       LYS   1 -13.378   0.380  -2.650
    4    HA   LYS   1           HA       LYS   1 -13.890  -2.505  -2.897
    5   1HB   LYS   1          2HB       LYS   1 -12.236  -2.381  -4.859
    6   2HB   LYS   1          1HB       LYS   1 -13.901  -1.932  -5.172
    7   1HG   LYS   1          2HG       LYS   1 -12.740  -0.293  -6.288
    8   2HG   LYS   1          1HG       LYS   1 -13.065   0.490  -4.743
    9   1HD   LYS   1          2HD       LYS   1 -10.826  -0.015  -3.976
   10   2HD   LYS   1          1HD       LYS   1 -10.495  -0.925  -5.451
   11   1HE   LYS   1          2HE       LYS   1  -9.489   1.282  -5.578
   12   2HE   LYS   1          1HE       LYS   1 -10.778   1.128  -6.769
   13   1HZ   LYS   1          1HZ       LYS   1 -10.495   3.114  -4.881
   14   2HZ   LYS   1          2HZ       LYS   1 -11.769   2.166  -4.305
   15   3HZ   LYS   1          3HZ       LYS   1 -11.846   2.836  -5.861
   16    H    CYS   2           H        CYS   2 -11.231  -3.068  -3.547
   17    HA   CYS   2           HA       CYS   2  -9.798  -1.883  -1.280
   18   1HB   CYS   2          2HB       CYS   2  -8.783  -4.046  -0.768
   19   2HB   CYS   2          1HB       CYS   2 -10.529  -4.112  -0.623
   20    H    LEU   3           H        LEU   3  -7.527  -1.918  -1.425
   21    HA   LEU   3           HA       LEU   3  -6.620  -1.389  -4.126
   22   1HB   LEU   3          2HB       LEU   3  -5.194  -1.159  -1.479
   23   2HB   LEU   3          1HB       LEU   3  -4.622  -0.533  -3.008
   24    HG   LEU   3           HG       LEU   3  -7.091   0.389  -1.546
   25   1HD1  LEU   3          1HD1      LEU   3  -4.406   1.021  -1.109
   26   2HD1  LEU   3          2HD1      LEU   3  -5.824   1.866  -0.488
   27   3HD1  LEU   3          3HD1      LEU   3  -5.080   2.386  -2.000
   28   1HD2  LEU   3          1HD2      LEU   3  -5.974   0.997  -4.238
   29   2HD2  LEU   3          2HD2      LEU   3  -6.739   2.298  -3.325
   30   3HD2  LEU   3          3HD2      LEU   3  -7.653   0.842  -3.720
   31    H    ALA   4           H        ALA   4  -5.547  -2.836  -5.344
   32    HA   ALA   4           HA       ALA   4  -4.823  -5.391  -4.248
   33   1HB   ALA   4          1HB       ALA   4  -4.253  -4.355  -7.017
   34   2HB   ALA   4          2HB       ALA   4  -5.792  -5.063  -6.529
   35   3HB   ALA   4          3HB       ALA   4  -4.322  -6.036  -6.490
   36    H    GLU   5           H        GLU   5  -2.544  -6.048  -5.690
   37    HA   GLU   5           HA       GLU   5  -0.554  -4.922  -3.993
   38   1HB   GLU   5          2HB       GLU   5   1.002  -6.367  -5.423
   39   2HB   GLU   5          1HB       GLU   5  -0.200  -7.174  -4.428
   40   1HG   GLU   5          2HG       GLU   5  -1.652  -7.297  -6.474
   41   2HG   GLU   5          1HG       GLU   5  -0.252  -6.745  -7.398
   42    H    ALA   6           H        ALA   6   0.820  -3.430  -4.321
   43    HA   ALA   6           HA       ALA   6   2.020  -1.732  -5.202
   44   1HB   ALA   6          1HB       ALA   6   1.763  -1.858  -7.982
   45   2HB   ALA   6          2HB       ALA   6   1.798  -3.535  -7.441
   46   3HB   ALA   6          3HB       ALA   6   3.111  -2.442  -7.007
   47    H    ALA   7           H        ALA   7  -0.711  -1.510  -4.502
   48    HA   ALA   7           HA       ALA   7  -1.687   0.468  -6.453
   49   1HB   ALA   7          1HB       ALA   7  -3.862   0.106  -5.704
   50   2HB   ALA   7          2HB       ALA   7  -3.324  -0.601  -4.181
   51   3HB   ALA   7          3HB       ALA   7  -3.144  -1.504  -5.685
   52    H    ASP   8           H        ASP   8  -1.773   2.571  -5.949
   53    HA   ASP   8           HA       ASP   8  -0.438   3.603  -3.700
   54   1HB   ASP   8          2HB       ASP   8  -0.855   4.733  -5.957
   55   2HB   ASP   8          1HB       ASP   8  -2.463   5.115  -5.355
   56    H    CYS   9           H        CYS   9  -1.117   4.131  -1.702
   57    HA   CYS   9           HA       CYS   9  -3.852   3.460  -0.976
   58   1HB   CYS   9          2HB       CYS   9  -1.728   4.449   0.909
   59   2HB   CYS   9          1HB       CYS   9  -3.152   3.493   1.281
   60    H    SER  10           H        SER  10  -5.172   4.859   0.283
   61    HA   SER  10           HA       SER  10  -5.094   7.579  -0.656
   62   1HB   SER  10          2HB       SER  10  -7.005   6.316   1.320
   63   2HB   SER  10          1HB       SER  10  -7.261   7.790   0.381
   64    HG   SER  10           HG       SER  10  -6.658   5.860  -1.323
   65    HA   PRO  11           HA       PRO  11  -2.598   9.100   2.674
   66   1HB   PRO  11          2HB       PRO  11  -3.397  11.740   2.449
   67   2HB   PRO  11          1HB       PRO  11  -2.128  10.974   1.487
   68   1HG   PRO  11          2HG       PRO  11  -4.994  11.470   0.797
   69   2HG   PRO  11          1HG       PRO  11  -3.552  11.637  -0.218
   70   1HD   PRO  11          2HD       PRO  11  -5.165   9.523  -0.451
   71   2HD   PRO  11          1HD       PRO  11  -3.403   9.353  -0.602
   72    H    TRP  12           H        TRP  12  -5.803  10.715   2.568
   73    HA   TRP  12           HA       TRP  12  -5.810  10.759   5.471
   74   1HB   TRP  12          2HB       TRP  12  -7.782  11.900   3.482
   75   2HB   TRP  12          1HB       TRP  12  -7.876  12.109   5.228
   76    HD1  TRP  12           HD       TRP  12  -5.936  13.641   6.372
   77    HE1  TRP  12           1HE      TRP  12  -4.556  15.582   5.399
   78    HE3  TRP  12           3HE      TRP  12  -6.722  12.782   1.394
   79    HZ2  TRP  12           2HZ      TRP  12  -3.896  16.619   2.859
   80    HZ3  TRP  12           3HZ      TRP  12  -5.685  14.299  -0.243
   81    HH2  TRP  12           HH       TRP  12  -4.302  16.178   0.477
   82    H    SER  13           H        SER  13  -8.062   9.678   2.934
   83    HA   SER  13           HA       SER  13  -8.706   7.293   4.405
   84   1HB   SER  13          2HB       SER  13 -10.836   9.417   4.008
   85   2HB   SER  13          1HB       SER  13 -11.132   7.776   4.577
   86    HG   SER  13           HG       SER  13  -9.202   8.915   6.061
   87    H    GLY  14           H        GLY  14  -9.724   5.753   3.112
   88   1HA   GLY  14          2HA       GLY  14 -10.993   6.234   0.670
   89   2HA   GLY  14          1HA       GLY  14  -9.287   5.957   0.343
   90    H    ASP  15           H        ASP  15  -9.589   4.024  -0.719
   91    HA   ASP  15           HA       ASP  15 -11.074   1.878   0.492
   92   1HB   ASP  15          2HB       ASP  15  -9.226   1.830  -1.902
   93   2HB   ASP  15          1HB       ASP  15 -10.306   0.533  -1.416
   94    H    SER  16           H        SER  16 -10.291   0.071   1.474
   95    HA   SER  16           HA       SER  16  -7.636   0.263   2.607
   96   1HB   SER  16          2HB       SER  16  -9.711  -1.907   2.990
   97   2HB   SER  16          1HB       SER  16  -8.320  -1.572   4.022
   98    HG   SER  16           HG       SER  16  -9.832   0.641   3.707
   99    H    CYS  17           H        CYS  17  -6.073  -1.472   2.448
  100    HA   CYS  17           HA       CYS  17  -5.707  -2.418  -0.193
  101   1HB   CYS  17          2HB       CYS  17  -4.341  -3.450   2.305
  102   2HB   CYS  17          1HB       CYS  17  -3.744  -3.546   0.655
  103    H    CYS  18           H        CYS  18  -5.986  -4.449  -1.083
  104    HA   CYS  18           HA       CYS  18  -7.985  -6.166  -0.011
  105   1HB   CYS  18          2HB       CYS  18  -5.969  -6.802  -2.187
  106   2HB   CYS  18          1HB       CYS  18  -7.484  -7.638  -1.890
  107    H    LYS  19           H        LYS  19  -7.749  -8.184   0.917
  108    HA   LYS  19           HA       LYS  19  -5.320  -8.513   2.402
  109   1HB   LYS  19          2HB       LYS  19  -6.465 -10.418   3.426
  110   2HB   LYS  19          1HB       LYS  19  -7.451  -8.975   3.470
  111   1HG   LYS  19          2HG       LYS  19  -8.763  -9.802   1.591
  112   2HG   LYS  19          1HG       LYS  19  -7.749 -11.244   1.509
  113   1HD   LYS  19          2HD       LYS  19  -8.436 -11.778   3.844
  114   2HD   LYS  19          1HD       LYS  19  -9.553 -10.414   3.781
  115   1HE   LYS  19          2HE       LYS  19  -9.595 -12.821   1.962
  116   2HE   LYS  19          1HE       LYS  19 -10.688 -12.532   3.314
  117   1HZ   LYS  19          1HZ       LYS  19 -11.181 -10.346   2.035
  118   2HZ   LYS  19          2HZ       LYS  19 -11.915 -11.788   1.543
  119   3HZ   LYS  19          3HZ       LYS  19 -10.574 -11.192   0.700
  120    HA   PRO  20           HA       PRO  20  -4.171  -9.640   3.270
  121   1HB   PRO  20          2HB       PRO  20  -1.977 -11.116   3.610
  122   2HB   PRO  20          1HB       PRO  20  -3.582 -11.857   3.647
  123   1HG   PRO  20          2HG       PRO  20  -1.482 -12.038   1.579
  124   2HG   PRO  20          1HG       PRO  20  -2.829 -13.139   1.911
  125   1HD   PRO  20          2HD       PRO  20  -2.665 -11.002  -0.059
  126   2HD   PRO  20          1HD       PRO  20  -3.939 -12.221   0.154
  127    H    TYR  21           H        TYR  21  -3.426  -8.122   0.797
  128    HA   TYR  21           HA       TYR  21  -0.620  -7.585   0.894
  129   1HB   TYR  21          2HB       TYR  21  -2.774  -5.795  -0.274
  130   2HB   TYR  21          1HB       TYR  21  -1.055  -5.775  -0.646
  131    HD1  TYR  21           1HD      TYR  21  -0.063  -7.935  -1.676
  132    HD2  TYR  21           2HD      TYR  21  -4.224  -7.057  -1.605
  133    HE1  TYR  21           1HE      TYR  21  -0.423  -9.525  -3.515
  134    HE2  TYR  21           2HE      TYR  21  -4.596  -8.646  -3.444
  135    HH   TYR  21           HH       TYR  21  -2.047  -9.958  -5.300
  136    H    LEU  22           H        LEU  22   0.341  -5.519   1.469
  137    HA   LEU  22           HA       LEU  22  -1.076  -4.153   3.659
  138   1HB   LEU  22          2HB       LEU  22   0.441  -5.808   4.610
  139   2HB   LEU  22          1HB       LEU  22   1.768  -5.166   3.665
  140    HG   LEU  22           HG       LEU  22   1.479  -2.997   4.937
  141   1HD1  LEU  22          1HD1      LEU  22  -0.366  -4.754   6.531
  142   2HD1  LEU  22          2HD1      LEU  22  -0.725  -3.200   5.777
  143   3HD1  LEU  22          3HD1      LEU  22   0.357  -3.278   7.168
  144   1HD2  LEU  22          1HD2      LEU  22   2.802  -5.383   5.610
  145   2HD2  LEU  22          2HD2      LEU  22   2.137  -4.741   7.111
  146   3HD2  LEU  22          3HD2      LEU  22   3.201  -3.742   6.121
  147    H    CYS  23           H        CYS  23  -0.855  -1.969   3.683
  148    HA   CYS  23           HA       CYS  23   0.388  -0.681   1.455
  149   1HB   CYS  23          2HB       CYS  23  -1.679   0.192   2.560
  150   2HB   CYS  23          1HB       CYS  23  -0.707   0.596   3.972
  151    H    SER  24           H        SER  24   2.386   0.101   1.293
  152    HA   SER  24           HA       SER  24   3.936   0.498   3.749
  153   1HB   SER  24          2HB       SER  24   5.885  -0.562   2.349
  154   2HB   SER  24          1HB       SER  24   4.721  -1.614   3.147
  155    HG   SER  24           HG       SER  24   3.577  -1.637   1.113
  156    H    CYS  25           H        CYS  25   4.967   2.368   3.777
  157    HA   CYS  25           HA       CYS  25   5.080   3.951   1.317
  158   1HB   CYS  25          2HB       CYS  25   5.584   4.914   4.137
  159   2HB   CYS  25          1HB       CYS  25   5.214   5.886   2.716
  160    H    ILE  26           H        ILE  26   6.946   2.554   0.654
  161    HA   ILE  26           HA       ILE  26   9.410   2.944   2.111
  162    HB   ILE  26           HB       ILE  26  10.487   1.676   0.252
  163   1HG1  ILE  26          2HG1      ILE  26   8.628   2.325  -1.428
  164   2HG1  ILE  26          1HG1      ILE  26   9.297   0.701  -1.509
  165   1HG2  ILE  26          1HG2      ILE  26   9.877   0.499   2.207
  166   2HG2  ILE  26          2HG2      ILE  26   9.376  -0.493   0.838
  167   3HG2  ILE  26          3HG2      ILE  26   8.179   0.446   1.731
  168   1HD1  ILE  26          1HD1      ILE  26   7.318  -0.230  -1.106
  169   2HD1  ILE  26          2HD1      ILE  26   6.634   1.363  -1.427
  170   3HD1  ILE  26          3HD1      ILE  26   6.976   0.867   0.231
  171    H    PHE  27           H        PHE  27  11.317   3.255   0.232
  172    HA   PHE  27           HA       PHE  27  11.060   6.073  -0.365
  173   1HB   PHE  27          2HB       PHE  27  13.353   4.137  -0.653
  174   2HB   PHE  27          1HB       PHE  27  13.463   5.839  -1.079
  175    HD1  PHE  27           1HD      PHE  27  14.443   7.205   0.462
  176    HD2  PHE  27           2HD      PHE  27  12.327   3.776   1.836
  177    HE1  PHE  27           1HE      PHE  27  15.064   7.754   2.778
  178    HE2  PHE  27           2HE      PHE  27  12.941   4.323   4.154
  179    HZ   PHE  27           HZ       PHE  27  14.311   6.313   4.628
  180    H    PHE  28           H        PHE  28  11.771   3.120  -2.197
  181    HA   PHE  28           HA       PHE  28  11.923   4.353  -4.724
  182   1HB   PHE  28          2HB       PHE  28  11.416   1.493  -3.912
  183   2HB   PHE  28          1HB       PHE  28  11.560   1.995  -5.591
  184    HD1  PHE  28           1HD      PHE  28  13.464   2.630  -2.427
  185    HD2  PHE  28           2HD      PHE  28  13.575   1.494  -6.527
  186    HE1  PHE  28           1HE      PHE  28  15.909   2.397  -2.293
  187    HE2  PHE  28           2HE      PHE  28  16.019   1.257  -6.399
  188    HZ   PHE  28           HZ       PHE  28  17.190   1.709  -4.280
  189    H    TYR  29           H        TYR  29   9.258   3.325  -2.808
  190    HA   TYR  29           HA       TYR  29   7.412   4.279  -4.869
  191   1HB   TYR  29          2HB       TYR  29   7.040   1.664  -3.378
  192   2HB   TYR  29          1HB       TYR  29   5.848   2.410  -4.431
  193    HD1  TYR  29           1HD      TYR  29   9.121   0.702  -4.340
  194    HD2  TYR  29           2HD      TYR  29   5.966   2.157  -6.795
  195    HE1  TYR  29           1HE      TYR  29  10.041  -0.544  -6.249
  196    HE2  TYR  29           2HE      TYR  29   6.879   0.916  -8.711
  197    HH   TYR  29           HH       TYR  29   9.485   0.016  -9.252
  198    HA   PRO  30           HA       PRO  30   5.821   6.377  -1.293
  199   1HB   PRO  30          2HB       PRO  30   3.270   6.594  -2.739
  200   2HB   PRO  30          1HB       PRO  30   4.364   7.871  -2.205
  201   1HG   PRO  30          2HG       PRO  30   4.082   7.233  -4.804
  202   2HG   PRO  30          1HG       PRO  30   5.631   7.773  -4.130
  203   1HD   PRO  30          2HD       PRO  30   4.717   4.999  -4.797
  204   2HD   PRO  30          1HD       PRO  30   6.304   5.757  -5.055
  205    H    CYS  31           H        CYS  31   3.240   6.398  -0.384
  206    HA   CYS  31           HA       CYS  31   3.011   3.924   0.942
  207   1HB   CYS  31          2HB       CYS  31   0.991   6.149   0.601
  208   2HB   CYS  31          1HB       CYS  31   0.802   4.789   1.704
  209    H    SER  32           H        SER  32   2.774   2.169  -0.342
  210    HA   SER  32           HA       SER  32   0.290   2.047  -1.898
  211   1HB   SER  32          2HB       SER  32   1.715   0.596  -3.536
  212   2HB   SER  32          1HB       SER  32   1.828   2.348  -3.641
  213    HG   SER  32           HG       SER  32   3.711   2.193  -2.282
  214    H    CYS  33           H        CYS  33  -0.757   0.095  -1.890
  215    HA   CYS  33           HA       CYS  33  -0.041  -1.752   0.188
  216   1HB   CYS  33          2HB       CYS  33  -2.097  -2.218  -1.975
  217   2HB   CYS  33          1HB       CYS  33  -2.020  -2.955  -0.388
  218    H    ARG  34           H        ARG  34   1.440  -3.255  -0.048
  219    HA   ARG  34           HA       ARG  34   1.896  -4.397  -2.732
  220   1HB   ARG  34          2HB       ARG  34   4.076  -4.293  -0.657
  221   2HB   ARG  34          1HB       ARG  34   4.215  -4.416  -2.402
  222   1HG   ARG  34          2HG       ARG  34   3.429  -1.950  -0.863
  223   2HG   ARG  34          1HG       ARG  34   5.003  -2.267  -1.586
  224   1HD   ARG  34          2HD       ARG  34   2.431  -2.110  -3.145
  225   2HD   ARG  34          1HD       ARG  34   3.515  -0.745  -2.902
  226    HE   ARG  34           HE       ARG  34   3.783  -2.777  -4.825
  227   1HH1  ARG  34          1HH1      ARG  34   5.697  -0.816  -2.657
  228   2HH1  ARG  34          2HH1      ARG  34   7.145  -0.953  -3.599
  229   1HH2  ARG  34          1HH2      ARG  34   5.690  -2.962  -6.084
  230   2HH2  ARG  34          2HH2      ARG  34   7.141  -2.178  -5.555
  231    HA   PRO  35           HA       PRO  35   1.114  -8.427  -1.110
  232   1HB   PRO  35          2HB       PRO  35   3.909  -9.213  -1.760
  233   2HB   PRO  35          1HB       PRO  35   2.387  -9.981  -2.224
  234   1HG   PRO  35          2HG       PRO  35   3.822  -8.532  -3.967
  235   2HG   PRO  35          1HG       PRO  35   2.050  -8.552  -3.999
  236   1HD   PRO  35          2HD       PRO  35   3.902  -6.426  -3.066
  237   2HD   PRO  35          1HD       PRO  35   2.279  -6.288  -3.765
  238    H    LYS  36           H        LYS  36   1.410  -9.574   0.827
  239    HA   LYS  36           HA       LYS  36   2.980  -8.203   2.796
  240   1HB   LYS  36          2HB       LYS  36   0.777  -9.184   3.342
  241   2HB   LYS  36          1HB       LYS  36   1.426 -10.788   3.031
  242   1HG   LYS  36          2HG       LYS  36   2.867 -10.666   4.910
  243   2HG   LYS  36          1HG       LYS  36   2.542  -8.946   5.128
  244   1HD   LYS  36          2HD       LYS  36   0.474 -11.126   5.395
  245   2HD   LYS  36          1HD       LYS  36   1.343 -10.400   6.750
  246   1HE   LYS  36          2HE       LYS  36   0.422  -8.213   6.178
  247   2HE   LYS  36          1HE       LYS  36  -0.422  -8.919   4.801
  248   1HZ   LYS  36          1HZ       LYS  36  -1.144  -8.909   7.577
  249   2HZ   LYS  36          2HZ       LYS  36  -1.231 -10.450   6.886
  250   3HZ   LYS  36          3HZ       LYS  36  -2.107  -9.170   6.210
  251    H    GLY  37           H        GLY  37   5.059  -8.507   3.031
  252   1HA   GLY  37          2HA       GLY  37   7.035  -9.705   3.422
  253   2HA   GLY  37          1HA       GLY  37   6.202 -11.185   2.947
  254    H    TRP  38           H        TRP  38   6.515  -8.091   1.298
  255    HA   TRP  38           HA       TRP  38   7.024  -9.286  -1.222
  256   1HB   TRP  38          2HB       TRP  38   7.070  -7.051  -2.076
  257   2HB   TRP  38          1HB       TRP  38   5.846  -7.077  -0.814
  258    HD1  TRP  38           HD       TRP  38   9.371  -5.756  -1.526
  259    HE1  TRP  38           1HE      TRP  38   9.903  -3.855   0.115
  260    HE3  TRP  38           3HE      TRP  38   5.223  -6.057   1.453
  261    HZ2  TRP  38           2HZ      TRP  38   8.728  -2.639   2.367
  262    HZ3  TRP  38           3HZ      TRP  38   5.010  -4.490   3.330
  263    HH2  TRP  38           HH       TRP  38   6.726  -2.814   3.776
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1 -15.782  -2.817  -0.616
    2   2H    LYS   1          2HT       LYS   1 -14.491  -3.263   0.383
    3   3H    LYS   1          3HT       LYS   1 -15.166  -4.392  -0.680
    4    HA   LYS   1           HA       LYS   1 -13.906  -3.736  -2.362
    5   1HB   LYS   1          2HB       LYS   1 -15.477  -1.751  -2.478
    6   2HB   LYS   1          1HB       LYS   1 -14.335  -0.869  -1.477
    7   1HG   LYS   1          2HG       LYS   1 -12.865  -1.933  -3.632
    8   2HG   LYS   1          1HG       LYS   1 -14.342  -1.242  -4.307
    9   1HD   LYS   1          2HD       LYS   1 -12.445   0.187  -2.443
   10   2HD   LYS   1          1HD       LYS   1 -12.495   0.391  -4.195
   11   1HE   LYS   1          2HE       LYS   1 -14.658   1.358  -4.110
   12   2HE   LYS   1          1HE       LYS   1 -14.882   0.880  -2.427
   13   1HZ   LYS   1          1HZ       LYS   1 -14.368   3.207  -2.539
   14   2HZ   LYS   1          2HZ       LYS   1 -12.969   2.911  -3.438
   15   3HZ   LYS   1          3HZ       LYS   1 -13.061   2.393  -1.825
   16    H    CYS   2           H        CYS   2 -11.670  -3.187  -2.703
   17    HA   CYS   2           HA       CYS   2 -10.142  -1.987  -0.599
   18   1HB   CYS   2          2HB       CYS   2  -8.740  -4.019  -0.181
   19   2HB   CYS   2          1HB       CYS   2 -10.377  -4.133   0.448
   20    H    LEU   3           H        LEU   3  -7.860  -1.934  -1.116
   21    HA   LEU   3           HA       LEU   3  -7.461  -1.369  -3.899
   22   1HB   LEU   3          2HB       LEU   3  -5.573  -1.278  -1.546
   23   2HB   LEU   3          1HB       LEU   3  -5.252  -0.608  -3.128
   24    HG   LEU   3           HG       LEU   3  -7.469   0.305  -1.304
   25   1HD1  LEU   3          1HD1      LEU   3  -5.119   1.996  -1.950
   26   2HD1  LEU   3          2HD1      LEU   3  -4.926   0.726  -0.741
   27   3HD1  LEU   3          3HD1      LEU   3  -6.146   1.979  -0.516
   28   1HD2  LEU   3          1HD2      LEU   3  -8.022   1.893  -2.867
   29   2HD2  LEU   3          2HD2      LEU   3  -7.563   0.552  -3.917
   30   3HD2  LEU   3          3HD2      LEU   3  -6.426   1.867  -3.619
   31    H    ALA   4           H        ALA   4  -6.357  -2.579  -5.366
   32    HA   ALA   4           HA       ALA   4  -5.766  -5.299  -4.680
   33   1HB   ALA   4          1HB       ALA   4  -5.846  -5.717  -6.896
   34   2HB   ALA   4          2HB       ALA   4  -4.927  -4.271  -7.315
   35   3HB   ALA   4          3HB       ALA   4  -6.645  -4.145  -6.934
   36    H    GLU   5           H        GLU   5  -3.633  -5.921  -6.286
   37    HA   GLU   5           HA       GLU   5  -1.446  -5.321  -4.592
   38   1HB   GLU   5          2HB       GLU   5  -1.699  -7.483  -5.726
   39   2HB   GLU   5          1HB       GLU   5  -1.506  -6.691  -7.284
   40   1HG   GLU   5          2HG       GLU   5   0.763  -6.081  -6.735
   41   2HG   GLU   5          1HG       GLU   5   0.579  -6.755  -5.114
   42    H    ALA   6           H        ALA   6   0.126  -3.918  -4.794
   43    HA   ALA   6           HA       ALA   6   1.345  -2.127  -5.453
   44   1HB   ALA   6          1HB       ALA   6   0.908  -2.246  -8.310
   45   2HB   ALA   6          2HB       ALA   6   1.292  -3.835  -7.649
   46   3HB   ALA   6          3HB       ALA   6   2.393  -2.482  -7.387
   47    H    ALA   7           H        ALA   7  -1.243  -1.631  -4.680
   48    HA   ALA   7           HA       ALA   7  -2.138   0.446  -6.582
   49   1HB   ALA   7          1HB       ALA   7  -4.180  -0.362  -6.284
   50   2HB   ALA   7          2HB       ALA   7  -4.090   0.072  -4.577
   51   3HB   ALA   7          3HB       ALA   7  -3.572  -1.528  -5.109
   52    H    ASP   8           H        ASP   8  -2.235   2.557  -5.972
   53    HA   ASP   8           HA       ASP   8  -0.703   3.461  -3.815
   54   1HB   ASP   8          2HB       ASP   8  -1.660   5.691  -4.308
   55   2HB   ASP   8          1HB       ASP   8  -1.100   4.861  -5.756
   56    H    CYS   9           H        CYS   9  -1.242   4.398  -1.825
   57    HA   CYS   9           HA       CYS   9  -3.996   4.164  -0.913
   58   1HB   CYS   9          2HB       CYS   9  -3.056   3.046   1.237
   59   2HB   CYS   9          1HB       CYS   9  -3.384   2.058  -0.177
   60    H    SER  10           H        SER  10  -4.386   5.151   1.134
   61    HA   SER  10           HA       SER  10  -2.406   6.878   2.316
   62   1HB   SER  10          2HB       SER  10  -4.744   8.044   0.776
   63   2HB   SER  10          1HB       SER  10  -3.776   8.952   1.937
   64    HG   SER  10           HG       SER  10  -2.380   7.595  -0.046
   65    HA   PRO  11           HA       PRO  11  -4.680   6.015   5.958
   66   1HB   PRO  11          2HB       PRO  11  -4.544   8.568   7.108
   67   2HB   PRO  11          1HB       PRO  11  -3.355   7.275   7.290
   68   1HG   PRO  11          2HG       PRO  11  -3.344   9.616   5.439
   69   2HG   PRO  11          1HG       PRO  11  -1.993   8.848   6.285
   70   1HD   PRO  11          2HD       PRO  11  -2.379   8.437   3.690
   71   2HD   PRO  11          1HD       PRO  11  -1.845   7.115   4.752
   72    H    TRP  12           H        TRP  12  -5.525   9.128   4.430
   73    HA   TRP  12           HA       TRP  12  -8.308   8.650   5.254
   74   1HB   TRP  12          2HB       TRP  12  -6.999  11.275   4.506
   75   2HB   TRP  12          1HB       TRP  12  -8.675  11.068   5.001
   76    HD1  TRP  12           HD       TRP  12  -9.083  10.362   7.613
   77    HE1  TRP  12           1HE      TRP  12  -7.682  10.887   9.706
   78    HE3  TRP  12           3HE      TRP  12  -4.682  11.644   5.346
   79    HZ2  TRP  12           2HZ      TRP  12  -5.062  11.740  10.317
   80    HZ3  TRP  12           3HZ      TRP  12  -2.779  12.308   6.758
   81    HH2  TRP  12           HH       TRP  12  -2.967  12.356   9.192
   82    H    SER  13           H        SER  13  -6.366   9.984   2.598
   83    HA   SER  13           HA       SER  13  -8.583   9.731   0.756
   84   1HB   SER  13          2HB       SER  13  -7.039  11.680   0.667
   85   2HB   SER  13          1HB       SER  13  -5.725  10.589   0.230
   86    HG   SER  13           HG       SER  13  -6.845  10.073  -1.665
   87    H    GLY  14           H        GLY  14  -8.177   7.256   1.627
   88   1HA   GLY  14          2HA       GLY  14  -7.444   5.841  -0.743
   89   2HA   GLY  14          1HA       GLY  14  -6.233   5.650   0.519
   90    H    ASP  15           H        ASP  15  -8.130   3.737  -0.736
   91    HA   ASP  15           HA       ASP  15  -9.986   3.031   1.365
   92   1HB   ASP  15          2HB       ASP  15 -10.120   2.645  -1.272
   93   2HB   ASP  15          1HB       ASP  15  -9.305   1.145  -0.853
   94    H    SER  16           H        SER  16  -9.905   0.424   1.753
   95    HA   SER  16           HA       SER  16  -7.383   0.032   3.143
   96   1HB   SER  16          2HB       SER  16  -9.678  -1.910   3.032
   97   2HB   SER  16          1HB       SER  16  -8.436  -1.771   4.271
   98    HG   SER  16           HG       SER  16 -10.083   0.436   3.779
   99    H    CYS  17           H        CYS  17  -5.896  -1.556   2.653
  100    HA   CYS  17           HA       CYS  17  -5.795  -2.398  -0.078
  101   1HB   CYS  17          2HB       CYS  17  -4.064  -3.325   2.230
  102   2HB   CYS  17          1HB       CYS  17  -3.695  -3.468   0.517
  103    H    CYS  18           H        CYS  18  -6.107  -4.439  -0.939
  104    HA   CYS  18           HA       CYS  18  -7.868  -6.210   0.425
  105   1HB   CYS  18          2HB       CYS  18  -6.199  -6.673  -2.066
  106   2HB   CYS  18          1HB       CYS  18  -7.469  -7.745  -1.492
  107    H    LYS  19           H        LYS  19  -7.428  -8.110   1.458
  108    HA   LYS  19           HA       LYS  19  -4.762  -8.362   2.472
  109   1HB   LYS  19          2HB       LYS  19  -6.987 -10.337   2.919
  110   2HB   LYS  19          1HB       LYS  19  -5.601 -10.017   3.931
  111   1HG   LYS  19          2HG       LYS  19  -7.210  -8.960   5.137
  112   2HG   LYS  19          1HG       LYS  19  -6.669  -7.629   4.115
  113   1HD   LYS  19          2HD       LYS  19  -9.086  -7.679   4.166
  114   2HD   LYS  19          1HD       LYS  19  -8.526  -8.126   2.553
  115   1HE   LYS  19          2HE       LYS  19  -8.856 -10.486   3.086
  116   2HE   LYS  19          1HE       LYS  19  -9.387 -10.053   4.711
  117   1HZ   LYS  19          1HZ       LYS  19 -10.772  -9.632   2.142
  118   2HZ   LYS  19          2HZ       LYS  19 -11.142  -8.666   3.480
  119   3HZ   LYS  19          3HZ       LYS  19 -11.354 -10.342   3.564
  120    HA   PRO  20           HA       PRO  20  -3.666  -9.724   3.356
  121   1HB   PRO  20          2HB       PRO  20  -1.426 -11.184   3.393
  122   2HB   PRO  20          1HB       PRO  20  -3.012 -11.925   3.633
  123   1HG   PRO  20          2HG       PRO  20  -1.209 -12.055   1.293
  124   2HG   PRO  20          1HG       PRO  20  -2.459 -13.195   1.814
  125   1HD   PRO  20          2HD       PRO  20  -2.647 -11.127  -0.186
  126   2HD   PRO  20          1HD       PRO  20  -3.887 -12.299   0.302
  127    H    TYR  21           H        TYR  21  -3.242  -8.083   0.916
  128    HA   TYR  21           HA       TYR  21  -0.405  -7.496   0.876
  129   1HB   TYR  21          2HB       TYR  21  -2.658  -5.948  -0.440
  130   2HB   TYR  21          1HB       TYR  21  -0.937  -5.792  -0.766
  131    HD1  TYR  21           1HD      TYR  21   0.127  -7.161  -2.337
  132    HD2  TYR  21           2HD      TYR  21  -3.800  -8.152  -1.041
  133    HE1  TYR  21           1HE      TYR  21  -0.019  -8.864  -4.099
  134    HE2  TYR  21           2HE      TYR  21  -3.955  -9.863  -2.802
  135    HH   TYR  21           HH       TYR  21  -1.349 -10.293  -5.173
  136    H    LEU  22           H        LEU  22   0.561  -5.600   1.549
  137    HA   LEU  22           HA       LEU  22  -0.961  -4.098   3.579
  138   1HB   LEU  22          2HB       LEU  22   0.714  -5.555   4.569
  139   2HB   LEU  22          1HB       LEU  22   1.952  -4.886   3.525
  140    HG   LEU  22           HG       LEU  22   1.592  -2.670   4.661
  141   1HD1  LEU  22          1HD1      LEU  22  -0.630  -3.020   5.532
  142   2HD1  LEU  22          2HD1      LEU  22   0.488  -2.723   6.863
  143   3HD1  LEU  22          3HD1      LEU  22  -0.063  -4.364   6.523
  144   1HD2  LEU  22          1HD2      LEU  22   3.489  -3.513   5.522
  145   2HD2  LEU  22          2HD2      LEU  22   2.774  -5.099   5.812
  146   3HD2  LEU  22          3HD2      LEU  22   2.502  -3.785   6.957
  147    H    CYS  23           H        CYS  23  -0.781  -1.890   3.614
  148    HA   CYS  23           HA       CYS  23   0.101  -0.585   1.227
  149   1HB   CYS  23          2HB       CYS  23  -1.835   0.255   2.451
  150   2HB   CYS  23          1HB       CYS  23  -0.845   0.535   3.874
  151    H    SER  24           H        SER  24   2.213  -0.545   0.883
  152    HA   SER  24           HA       SER  24   4.037   0.038   3.092
  153   1HB   SER  24          2HB       SER  24   5.810  -0.678   1.507
  154   2HB   SER  24          1HB       SER  24   4.579  -1.918   1.739
  155    HG   SER  24           HG       SER  24   3.805  -0.377  -0.275
  156    H    CYS  25           H        CYS  25   5.316   1.845   3.144
  157    HA   CYS  25           HA       CYS  25   5.210   3.679   0.870
  158   1HB   CYS  25          2HB       CYS  25   3.446   4.173   2.743
  159   2HB   CYS  25          1HB       CYS  25   4.836   4.782   3.637
  160    H    ILE  26           H        ILE  26   7.349   2.423   0.977
  161    HA   ILE  26           HA       ILE  26   9.257   3.439   2.898
  162    HB   ILE  26           HB       ILE  26  10.913   2.035   1.644
  163   1HG1  ILE  26          2HG1      ILE  26   9.421   2.070  -0.491
  164   2HG1  ILE  26          1HG1      ILE  26  10.322   0.613  -0.099
  165   1HG2  ILE  26          1HG2      ILE  26   9.018   1.339   3.507
  166   2HG2  ILE  26          2HG2      ILE  26  10.443   0.398   3.068
  167   3HG2  ILE  26          3HG2      ILE  26   8.892   0.058   2.301
  168   1HD1  ILE  26          1HD1      ILE  26   7.412   1.059   0.530
  169   2HD1  ILE  26          2HD1      ILE  26   8.329  -0.426   0.779
  170   3HD1  ILE  26          3HD1      ILE  26   8.028   0.161  -0.856
  171    H    PHE  27           H        PHE  27  11.544   3.635   1.422
  172    HA   PHE  27           HA       PHE  27  11.391   6.300   0.503
  173   1HB   PHE  27          2HB       PHE  27  13.573   4.232   0.432
  174   2HB   PHE  27          1HB       PHE  27  13.795   5.850  -0.216
  175    HD1  PHE  27           1HD      PHE  27  12.307   4.432   2.916
  176    HD2  PHE  27           2HD      PHE  27  15.031   7.189   1.159
  177    HE1  PHE  27           1HE      PHE  27  12.922   5.243   5.154
  178    HE2  PHE  27           2HE      PHE  27  15.651   8.006   3.394
  179    HZ   PHE  27           HZ       PHE  27  14.597   7.032   5.396
  180    H    PHE  28           H        PHE  28  12.343   3.367  -1.297
  181    HA   PHE  28           HA       PHE  28  12.302   4.700  -3.800
  182   1HB   PHE  28          2HB       PHE  28  13.672   2.659  -3.217
  183   2HB   PHE  28          1HB       PHE  28  12.194   1.714  -3.368
  184    HD1  PHE  28           1HD      PHE  28  13.380   4.550  -5.459
  185    HD2  PHE  28           2HD      PHE  28  12.559   0.381  -5.235
  186    HE1  PHE  28           1HE      PHE  28  13.767   4.348  -7.880
  187    HE2  PHE  28           2HE      PHE  28  12.943   0.172  -7.655
  188    HZ   PHE  28           HZ       PHE  28  13.548   2.156  -8.982
  189    H    TYR  29           H        TYR  29   9.954   2.737  -2.079
  190    HA   TYR  29           HA       TYR  29   8.090   3.129  -4.324
  191   1HB   TYR  29          2HB       TYR  29   8.132   1.037  -2.157
  192   2HB   TYR  29          1HB       TYR  29   6.707   1.349  -3.137
  193    HD1  TYR  29           1HD      TYR  29   6.366  -0.018  -4.931
  194    HD2  TYR  29           2HD      TYR  29  10.362   0.676  -3.651
  195    HE1  TYR  29           1HE      TYR  29   7.177  -1.589  -6.635
  196    HE2  TYR  29           2HE      TYR  29  11.185  -0.891  -5.359
  197    HH   TYR  29           HH       TYR  29  10.508  -2.608  -6.762
  198    HA   PRO  30           HA       PRO  30   6.055   6.027  -1.623
  199   1HB   PRO  30          2HB       PRO  30   4.012   6.620  -3.309
  200   2HB   PRO  30          1HB       PRO  30   5.640   7.275  -3.511
  201   1HG   PRO  30          2HG       PRO  30   4.316   5.008  -4.936
  202   2HG   PRO  30          1HG       PRO  30   5.391   6.264  -5.577
  203   1HD   PRO  30          2HD       PRO  30   6.206   3.720  -4.995
  204   2HD   PRO  30          1HD       PRO  30   7.283   5.124  -4.955
  205    H    CYS  31           H        CYS  31   3.740   6.307  -0.839
  206    HA   CYS  31           HA       CYS  31   2.835   4.051   0.444
  207   1HB   CYS  31          2HB       CYS  31   1.348   6.562  -0.331
  208   2HB   CYS  31          1HB       CYS  31   0.644   5.321   0.692
  209    H    SER  32           H        SER  32   2.379   2.221  -0.619
  210    HA   SER  32           HA       SER  32  -0.012   2.083  -2.193
  211   1HB   SER  32          2HB       SER  32   1.204   0.931  -4.122
  212   2HB   SER  32          1HB       SER  32   1.385   2.682  -4.018
  213    HG   SER  32           HG       SER  32   3.390   2.177  -2.799
  214    H    CYS  33           H        CYS  33  -0.943   0.115  -2.039
  215    HA   CYS  33           HA       CYS  33   0.026  -1.741  -0.143
  216   1HB   CYS  33          2HB       CYS  33  -2.080  -2.386  -2.199
  217   2HB   CYS  33          1HB       CYS  33  -1.942  -2.973  -0.552
  218    H    ARG  34           H        ARG  34   1.319  -3.377  -0.373
  219    HA   ARG  34           HA       ARG  34   1.793  -4.597  -3.011
  220   1HB   ARG  34          2HB       ARG  34   3.992  -4.056  -0.991
  221   2HB   ARG  34          1HB       ARG  34   4.169  -4.656  -2.632
  222   1HG   ARG  34          2HG       ARG  34   3.072  -1.929  -2.053
  223   2HG   ARG  34          1HG       ARG  34   4.802  -2.240  -2.185
  224   1HD   ARG  34          2HD       ARG  34   4.556  -2.985  -4.448
  225   2HD   ARG  34          1HD       ARG  34   2.796  -2.919  -4.327
  226    HE   ARG  34           HE       ARG  34   3.572  -0.381  -3.750
  227   1HH1  ARG  34          1HH1      ARG  34   4.273  -2.534  -6.423
  228   2HH1  ARG  34          2HH1      ARG  34   4.367  -1.256  -7.588
  229   1HH2  ARG  34          1HH2      ARG  34   3.687   1.293  -5.259
  230   2HH2  ARG  34          2HH2      ARG  34   4.034   0.937  -6.924
  231    HA   PRO  35           HA       PRO  35   1.281  -8.505  -0.997
  232   1HB   PRO  35          2HB       PRO  35   4.090  -9.232  -1.631
  233   2HB   PRO  35          1HB       PRO  35   2.593 -10.093  -1.999
  234   1HG   PRO  35          2HG       PRO  35   3.969  -8.737  -3.876
  235   2HG   PRO  35          1HG       PRO  35   2.203  -8.876  -3.904
  236   1HD   PRO  35          2HD       PRO  35   3.902  -6.548  -3.222
  237   2HD   PRO  35          1HD       PRO  35   2.256  -6.597  -3.876
  238    H    LYS  36           H        LYS  36   1.663  -9.447   1.020
  239    HA   LYS  36           HA       LYS  36   3.205  -7.854   2.840
  240   1HB   LYS  36          2HB       LYS  36   1.055  -8.891   3.493
  241   2HB   LYS  36          1HB       LYS  36   1.778 -10.482   3.300
  242   1HG   LYS  36          2HG       LYS  36   3.453  -9.807   5.059
  243   2HG   LYS  36          1HG       LYS  36   2.444  -8.390   5.351
  244   1HD   LYS  36          2HD       LYS  36   1.883 -10.128   6.937
  245   2HD   LYS  36          1HD       LYS  36   0.536  -9.888   5.822
  246   1HE   LYS  36          2HE       LYS  36   1.236 -11.834   4.535
  247   2HE   LYS  36          1HE       LYS  36   2.621 -12.058   5.602
  248   1HZ   LYS  36          1HZ       LYS  36   0.062 -11.950   6.941
  249   2HZ   LYS  36          2HZ       LYS  36   1.360 -13.010   7.168
  250   3HZ   LYS  36          3HZ       LYS  36   0.259 -13.278   5.911
  251    H    GLY  37           H        GLY  37   5.325  -8.054   2.976
  252   1HA   GLY  37          2HA       GLY  37   7.327  -9.166   3.505
  253   2HA   GLY  37          1HA       GLY  37   6.535 -10.703   3.165
  254    H    TRP  38           H        TRP  38   6.821  -7.758   1.253
  255    HA   TRP  38           HA       TRP  38   7.425  -9.204  -1.133
  256   1HB   TRP  38          2HB       TRP  38   7.365  -7.062  -2.222
  257   2HB   TRP  38          1HB       TRP  38   6.070  -7.081  -1.029
  258    HD1  TRP  38           HD       TRP  38   9.320  -5.334  -1.892
  259    HE1  TRP  38           1HE      TRP  38   9.652  -3.317  -0.338
  260    HE3  TRP  38           3HE      TRP  38   5.501  -6.196   1.397
  261    HZ2  TRP  38           2HZ      TRP  38   8.459  -2.229   1.973
  262    HZ3  TRP  38           3HZ      TRP  38   5.168  -4.620   3.253
  263    HH2  TRP  38           HH       TRP  38   6.617  -2.676   3.535
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1 -14.448  -1.735   0.005
    2   2H    LYS   1          2HT       LYS   1 -15.491  -1.331  -1.265
    3   3H    LYS   1          3HT       LYS   1 -14.158  -0.338  -0.910
    4    HA   LYS   1           HA       LYS   1 -14.105  -3.067  -2.072
    5   1HB   LYS   1          2HB       LYS   1 -12.727  -0.584  -3.062
    6   2HB   LYS   1          1HB       LYS   1 -13.197  -2.010  -3.971
    7   1HG   LYS   1          2HG       LYS   1 -15.513  -1.350  -3.901
    8   2HG   LYS   1          1HG       LYS   1 -15.126   0.013  -2.848
    9   1HD   LYS   1          2HD       LYS   1 -14.131  -0.366  -5.675
   10   2HD   LYS   1          1HD       LYS   1 -15.438   0.712  -5.187
   11   1HE   LYS   1          2HE       LYS   1 -12.592   0.913  -4.197
   12   2HE   LYS   1          1HE       LYS   1 -13.250   1.856  -5.532
   13   1HZ   LYS   1          1HZ       LYS   1 -14.893   2.069  -3.222
   14   2HZ   LYS   1          2HZ       LYS   1 -14.135   3.290  -4.107
   15   3HZ   LYS   1          3HZ       LYS   1 -13.299   2.512  -2.852
   16    H    CYS   2           H        CYS   2 -11.515  -2.816  -2.999
   17    HA   CYS   2           HA       CYS   2  -9.848  -2.124  -0.772
   18   1HB   CYS   2          2HB       CYS   2  -8.758  -4.289  -0.546
   19   2HB   CYS   2          1HB       CYS   2 -10.459  -4.393  -0.148
   20    H    LEU   3           H        LEU   3  -7.703  -1.955  -1.265
   21    HA   LEU   3           HA       LEU   3  -7.205  -1.276  -4.014
   22   1HB   LEU   3          2HB       LEU   3  -5.410  -1.210  -1.591
   23   2HB   LEU   3          1HB       LEU   3  -5.043  -0.497  -3.145
   24    HG   LEU   3           HG       LEU   3  -7.373   0.326  -1.422
   25   1HD1  LEU   3          1HD1      LEU   3  -5.492   0.997  -0.215
   26   2HD1  LEU   3          2HD1      LEU   3  -5.947   2.420  -1.154
   27   3HD1  LEU   3          3HD1      LEU   3  -4.593   1.415  -1.674
   28   1HD2  LEU   3          1HD2      LEU   3  -6.153   1.729  -3.791
   29   2HD2  LEU   3          2HD2      LEU   3  -7.631   2.153  -2.928
   30   3HD2  LEU   3          3HD2      LEU   3  -7.566   0.679  -3.895
   31    H    ALA   4           H        ALA   4  -6.008  -2.384  -5.478
   32    HA   ALA   4           HA       ALA   4  -5.444  -5.134  -4.913
   33   1HB   ALA   4          1HB       ALA   4  -6.068  -3.677  -7.179
   34   2HB   ALA   4          2HB       ALA   4  -5.648  -5.389  -7.110
   35   3HB   ALA   4          3HB       ALA   4  -4.400  -4.186  -7.441
   36    H    GLU   5           H        GLU   5  -3.264  -5.743  -6.389
   37    HA   GLU   5           HA       GLU   5  -1.148  -5.224  -4.590
   38   1HB   GLU   5          2HB       GLU   5  -1.443  -7.351  -5.836
   39   2HB   GLU   5          1HB       GLU   5  -1.042  -6.504  -7.324
   40   1HG   GLU   5          2HG       GLU   5   1.179  -6.059  -6.540
   41   2HG   GLU   5          1HG       GLU   5   0.794  -6.722  -4.952
   42    H    ALA   6           H        ALA   6   0.478  -3.877  -4.689
   43    HA   ALA   6           HA       ALA   6   1.780  -2.110  -5.238
   44   1HB   ALA   6          1HB       ALA   6   1.217  -2.581  -8.145
   45   2HB   ALA   6          2HB       ALA   6   2.212  -3.709  -7.223
   46   3HB   ALA   6          3HB       ALA   6   2.701  -2.020  -7.374
   47    H    ALA   7           H        ALA   7  -0.813  -1.529  -4.547
   48    HA   ALA   7           HA       ALA   7  -1.456   0.702  -6.380
   49   1HB   ALA   7          1HB       ALA   7  -3.660   0.085  -4.666
   50   2HB   ALA   7          2HB       ALA   7  -3.112  -1.381  -5.479
   51   3HB   ALA   7          3HB       ALA   7  -3.568   0.034  -6.427
   52    H    ASP   8           H        ASP   8  -1.302   2.698  -5.608
   53    HA   ASP   8           HA       ASP   8  -0.278   3.322  -3.086
   54   1HB   ASP   8          2HB       ASP   8  -0.416   4.724  -5.289
   55   2HB   ASP   8          1HB       ASP   8  -1.962   5.265  -4.649
   56    H    CYS   9           H        CYS   9  -1.214   3.676  -1.111
   57    HA   CYS   9           HA       CYS   9  -4.077   3.160  -0.980
   58   1HB   CYS   9          2HB       CYS   9  -3.788   2.767   1.402
   59   2HB   CYS   9          1HB       CYS   9  -2.692   1.784   0.458
   60    H    SER  10           H        SER  10  -5.256   4.250   0.838
   61    HA   SER  10           HA       SER  10  -5.233   7.064   0.273
   62   1HB   SER  10          2HB       SER  10  -7.203   7.051   1.861
   63   2HB   SER  10          1HB       SER  10  -7.363   5.985   0.462
   64    HG   SER  10           HG       SER  10  -6.314   5.043   2.908
   65    HA   PRO  11           HA       PRO  11  -2.468   8.007   3.654
   66   1HB   PRO  11          2HB       PRO  11  -2.638  10.719   3.390
   67   2HB   PRO  11          1HB       PRO  11  -1.629   9.699   2.359
   68   1HG   PRO  11          2HG       PRO  11  -4.350  10.827   1.826
   69   2HG   PRO  11          1HG       PRO  11  -2.950  10.727   0.745
   70   1HD   PRO  11          2HD       PRO  11  -4.998   8.989   0.590
   71   2HD   PRO  11          1HD       PRO  11  -3.324   8.501   0.257
   72    H    TRP  12           H        TRP  12  -5.486   9.882   3.272
   73    HA   TRP  12           HA       TRP  12  -5.605  10.273   6.151
   74   1HB   TRP  12          2HB       TRP  12  -7.486  11.261   3.999
   75   2HB   TRP  12          1HB       TRP  12  -7.508  11.741   5.692
   76    HD1  TRP  12           HD       TRP  12  -5.283  13.167   6.541
   77    HE1  TRP  12           1HE      TRP  12  -3.869  14.879   5.241
   78    HE3  TRP  12           3HE      TRP  12  -6.642  11.895   1.777
   79    HZ2  TRP  12           2HZ      TRP  12  -3.398  15.602   2.553
   80    HZ3  TRP  12           3HZ      TRP  12  -5.669  13.152  -0.101
   81    HH2  TRP  12           HH       TRP  12  -4.081  14.967   0.281
   82    H    SER  13           H        SER  13  -7.754   8.988   3.612
   83    HA   SER  13           HA       SER  13  -8.541   6.744   5.129
   84   1HB   SER  13          2HB       SER  13  -9.733   8.584   6.393
   85   2HB   SER  13          1HB       SER  13 -10.670   8.890   4.932
   86    HG   SER  13           HG       SER  13 -10.839   6.818   6.750
   87    H    GLY  14           H        GLY  14  -9.859   5.341   3.946
   88   1HA   GLY  14          2HA       GLY  14 -11.392   5.815   1.728
   89   2HA   GLY  14          1HA       GLY  14  -9.750   5.689   1.110
   90    H    ASP  15           H        ASP  15 -10.301   3.771  -0.031
   91    HA   ASP  15           HA       ASP  15 -11.292   1.481   1.371
   92   1HB   ASP  15          2HB       ASP  15 -10.035   1.722  -1.363
   93   2HB   ASP  15          1HB       ASP  15 -10.701   0.232  -0.721
   94    H    SER  16           H        SER  16 -10.212  -0.211   2.179
   95    HA   SER  16           HA       SER  16  -7.412   0.158   2.765
   96   1HB   SER  16          2HB       SER  16  -9.253  -2.115   3.550
   97   2HB   SER  16          1HB       SER  16  -7.691  -1.725   4.271
   98    HG   SER  16           HG       SER  16  -9.327   0.426   4.287
   99    H    CYS  17           H        CYS  17  -5.815  -1.516   2.370
  100    HA   CYS  17           HA       CYS  17  -5.795  -2.425  -0.295
  101   1HB   CYS  17          2HB       CYS  17  -4.095  -3.485   1.971
  102   2HB   CYS  17          1HB       CYS  17  -3.708  -3.498   0.256
  103    H    CYS  18           H        CYS  18  -6.089  -4.482  -1.182
  104    HA   CYS  18           HA       CYS  18  -7.967  -6.198   0.063
  105   1HB   CYS  18          2HB       CYS  18  -6.087  -6.826  -2.232
  106   2HB   CYS  18          1HB       CYS  18  -7.505  -7.758  -1.778
  107    H    LYS  19           H        LYS  19  -7.657  -8.189   1.050
  108    HA   LYS  19           HA       LYS  19  -5.163  -8.419   2.441
  109   1HB   LYS  19          2HB       LYS  19  -7.279 -10.530   2.512
  110   2HB   LYS  19          1HB       LYS  19  -6.207  -9.990   3.786
  111   1HG   LYS  19          2HG       LYS  19  -7.447  -7.920   4.005
  112   2HG   LYS  19          1HG       LYS  19  -8.512  -8.404   2.686
  113   1HD   LYS  19          2HD       LYS  19  -8.196  -9.855   5.313
  114   2HD   LYS  19          1HD       LYS  19  -9.535  -8.790   4.883
  115   1HE   LYS  19          2HE       LYS  19 -10.139 -10.285   3.046
  116   2HE   LYS  19          1HE       LYS  19  -8.793 -11.346   3.462
  117   1HZ   LYS  19          1HZ       LYS  19 -11.032 -10.707   5.304
  118   2HZ   LYS  19          2HZ       LYS  19  -9.816 -11.858   5.540
  119   3HZ   LYS  19          3HZ       LYS  19 -10.973 -12.090   4.329
  120    HA   PRO  20           HA       PRO  20  -4.103  -9.640   3.395
  121   1HB   PRO  20          2HB       PRO  20  -1.838 -11.011   3.748
  122   2HB   PRO  20          1HB       PRO  20  -3.410 -11.818   3.784
  123   1HG   PRO  20          2HG       PRO  20  -1.307 -11.889   1.706
  124   2HG   PRO  20          1HG       PRO  20  -2.567 -13.078   2.070
  125   1HD   PRO  20          2HD       PRO  20  -2.574 -11.020   0.042
  126   2HD   PRO  20          1HD       PRO  20  -3.811 -12.254   0.363
  127    H    TYR  21           H        TYR  21  -3.284  -8.275   0.758
  128    HA   TYR  21           HA       TYR  21  -0.569  -7.528   0.948
  129   1HB   TYR  21          2HB       TYR  21  -2.808  -5.959  -0.364
  130   2HB   TYR  21          1HB       TYR  21  -1.083  -5.752  -0.634
  131    HD1  TYR  21           1HD      TYR  21   0.037  -6.994  -2.251
  132    HD2  TYR  21           2HD      TYR  21  -3.847  -8.219  -1.030
  133    HE1  TYR  21           1HE      TYR  21  -0.007  -8.643  -4.069
  134    HE2  TYR  21           2HE      TYR  21  -3.901  -9.876  -2.848
  135    HH   TYR  21           HH       TYR  21  -1.192 -10.169  -5.139
  136    H    LEU  22           H        LEU  22   0.363  -5.548   1.535
  137    HA   LEU  22           HA       LEU  22  -1.143  -3.987   3.527
  138   1HB   LEU  22          2HB       LEU  22   0.299  -5.605   4.671
  139   2HB   LEU  22          1HB       LEU  22   1.683  -5.029   3.765
  140    HG   LEU  22           HG       LEU  22   1.345  -2.784   4.872
  141   1HD1  LEU  22          1HD1      LEU  22   0.079  -2.913   7.049
  142   2HD1  LEU  22          2HD1      LEU  22  -0.636  -4.407   6.445
  143   3HD1  LEU  22          3HD1      LEU  22  -0.905  -2.891   5.585
  144   1HD2  LEU  22          1HD2      LEU  22   2.001  -5.227   6.505
  145   2HD2  LEU  22          2HD2      LEU  22   2.274  -3.579   7.069
  146   3HD2  LEU  22          3HD2      LEU  22   3.115  -4.170   5.636
  147    H    CYS  23           H        CYS  23  -0.724  -1.780   3.509
  148    HA   CYS  23           HA       CYS  23   0.567  -0.760   1.163
  149   1HB   CYS  23          2HB       CYS  23  -1.471   0.292   2.238
  150   2HB   CYS  23          1HB       CYS  23  -0.399   0.874   3.511
  151    H    SER  24           H        SER  24   2.638  -0.377   0.941
  152    HA   SER  24           HA       SER  24   4.262  -0.009   3.365
  153   1HB   SER  24          2HB       SER  24   6.143  -0.861   2.000
  154   2HB   SER  24          1HB       SER  24   4.816  -2.015   2.069
  155    HG   SER  24           HG       SER  24   4.711  -0.209  -0.019
  156    H    CYS  25           H        CYS  25   5.207   1.906   3.662
  157    HA   CYS  25           HA       CYS  25   5.166   3.843   1.461
  158   1HB   CYS  25          2HB       CYS  25   5.585   4.331   4.419
  159   2HB   CYS  25          1HB       CYS  25   5.382   5.562   3.177
  160    H    ILE  26           H        ILE  26   7.076   2.524   0.640
  161    HA   ILE  26           HA       ILE  26   9.548   2.898   2.075
  162    HB   ILE  26           HB       ILE  26  10.648   1.849   0.110
  163   1HG1  ILE  26          2HG1      ILE  26   8.793   2.590  -1.518
  164   2HG1  ILE  26          1HG1      ILE  26   9.483   0.987  -1.733
  165   1HG2  ILE  26          1HG2      ILE  26  10.223   0.348   1.792
  166   2HG2  ILE  26          2HG2      ILE  26   9.385  -0.401   0.432
  167   3HG2  ILE  26          3HG2      ILE  26   8.473   0.504   1.640
  168   1HD1  ILE  26          1HD1      ILE  26   7.550  -0.005  -0.646
  169   2HD1  ILE  26          2HD1      ILE  26   7.063   0.988  -2.020
  170   3HD1  ILE  26          3HD1      ILE  26   6.865   1.598  -0.376
  171    H    PHE  27           H        PHE  27  11.419   3.489   0.263
  172    HA   PHE  27           HA       PHE  27  11.002   6.326  -0.098
  173   1HB   PHE  27          2HB       PHE  27  13.416   4.570  -0.526
  174   2HB   PHE  27          1HB       PHE  27  13.420   6.314  -0.753
  175    HD1  PHE  27           1HD      PHE  27  14.245   7.575   0.961
  176    HD2  PHE  27           2HD      PHE  27  12.421   3.840   1.877
  177    HE1  PHE  27           1HE      PHE  27  14.799   7.890   3.337
  178    HE2  PHE  27           2HE      PHE  27  12.968   4.151   4.254
  179    HZ   PHE  27           HZ       PHE  27  14.159   6.178   4.987
  180    H    PHE  28           H        PHE  28  11.929   3.594  -2.163
  181    HA   PHE  28           HA       PHE  28  12.049   5.063  -4.562
  182   1HB   PHE  28          2HB       PHE  28  11.737   2.112  -4.022
  183   2HB   PHE  28          1HB       PHE  28  11.865   2.771  -5.648
  184    HD1  PHE  28           1HD      PHE  28  13.675   3.232  -2.400
  185    HD2  PHE  28           2HD      PHE  28  13.925   2.533  -6.591
  186    HE1  PHE  28           1HE      PHE  28  16.128   3.171  -2.239
  187    HE2  PHE  28           2HE      PHE  28  16.379   2.470  -6.436
  188    HZ   PHE  28           HZ       PHE  28  17.484   2.790  -4.258
  189    H    TYR  29           H        TYR  29   9.415   3.684  -2.827
  190    HA   TYR  29           HA       TYR  29   7.579   4.669  -4.886
  191   1HB   TYR  29          2HB       TYR  29   7.401   1.934  -3.595
  192   2HB   TYR  29          1HB       TYR  29   6.113   2.669  -4.539
  193    HD1  TYR  29           1HD      TYR  29   9.528   1.265  -4.711
  194    HD2  TYR  29           2HD      TYR  29   6.156   2.633  -6.914
  195    HE1  TYR  29           1HE      TYR  29  10.484   0.299  -6.760
  196    HE2  TYR  29           2HE      TYR  29   7.101   1.672  -8.968
  197    HH   TYR  29           HH       TYR  29  10.129   0.913  -9.424
  198    HA   PRO  30           HA       PRO  30   5.709   6.510  -1.319
  199   1HB   PRO  30          2HB       PRO  30   3.219   6.965  -2.354
  200   2HB   PRO  30          1HB       PRO  30   4.626   7.973  -2.712
  201   1HG   PRO  30          2HG       PRO  30   3.412   5.768  -4.330
  202   2HG   PRO  30          1HG       PRO  30   4.034   7.341  -4.866
  203   1HD   PRO  30          2HD       PRO  30   5.457   5.069  -5.142
  204   2HD   PRO  30          1HD       PRO  30   6.232   6.632  -4.811
  205    H    CYS  31           H        CYS  31   3.330   6.319  -0.267
  206    HA   CYS  31           HA       CYS  31   3.167   3.756   0.839
  207   1HB   CYS  31          2HB       CYS  31   1.102   5.964   0.756
  208   2HB   CYS  31          1HB       CYS  31   0.985   4.527   1.766
  209    H    SER  32           H        SER  32   2.876   2.080  -0.531
  210    HA   SER  32           HA       SER  32   0.303   1.985  -1.916
  211   1HB   SER  32          2HB       SER  32   1.617   0.791  -3.817
  212   2HB   SER  32          1HB       SER  32   1.663   2.551  -3.731
  213    HG   SER  32           HG       SER  32   3.670   2.330  -2.574
  214    H    CYS  33           H        CYS  33  -0.687   0.041  -1.886
  215    HA   CYS  33           HA       CYS  33   0.134  -1.900  -0.012
  216   1HB   CYS  33          2HB       CYS  33  -1.865  -2.463  -2.186
  217   2HB   CYS  33          1HB       CYS  33  -1.837  -3.051  -0.534
  218    H    ARG  34           H        ARG  34   1.395  -3.542  -0.198
  219    HA   ARG  34           HA       ARG  34   2.077  -4.638  -2.848
  220   1HB   ARG  34          2HB       ARG  34   4.023  -4.261  -0.549
  221   2HB   ARG  34          1HB       ARG  34   4.394  -4.854  -2.160
  222   1HG   ARG  34          2HG       ARG  34   3.354  -2.087  -1.641
  223   2HG   ARG  34          1HG       ARG  34   5.071  -2.486  -1.661
  224   1HD   ARG  34          2HD       ARG  34   4.977  -3.130  -3.946
  225   2HD   ARG  34          1HD       ARG  34   3.213  -3.076  -3.954
  226    HE   ARG  34           HE       ARG  34   3.952  -0.543  -3.273
  227   1HH1  ARG  34          1HH1      ARG  34   4.792  -2.648  -5.942
  228   2HH1  ARG  34          2HH1      ARG  34   4.928  -1.355  -7.085
  229   1HH2  ARG  34          1HH2      ARG  34   4.112   1.157  -4.758
  230   2HH2  ARG  34          2HH2      ARG  34   4.536   0.824  -6.411
  231    HA   PRO  35           HA       PRO  35   1.256  -8.672  -1.247
  232   1HB   PRO  35          2HB       PRO  35   4.102  -9.450  -1.475
  233   2HB   PRO  35          1HB       PRO  35   2.666 -10.204  -2.171
  234   1HG   PRO  35          2HG       PRO  35   4.417  -8.729  -3.625
  235   2HG   PRO  35          1HG       PRO  35   2.696  -8.864  -4.019
  236   1HD   PRO  35          2HD       PRO  35   4.195  -6.587  -2.894
  237   2HD   PRO  35          1HD       PRO  35   2.667  -6.604  -3.788
  238    H    LYS  36           H        LYS  36   1.440  -9.925   0.655
  239    HA   LYS  36           HA       LYS  36   2.567  -8.501   2.881
  240   1HB   LYS  36          2HB       LYS  36   0.388  -9.858   2.858
  241   2HB   LYS  36          1HB       LYS  36   1.412 -11.287   2.946
  242   1HG   LYS  36          2HG       LYS  36   2.357 -10.480   5.050
  243   2HG   LYS  36          1HG       LYS  36   1.326  -9.050   4.961
  244   1HD   LYS  36          2HD       LYS  36  -0.638 -10.665   4.858
  245   2HD   LYS  36          1HD       LYS  36   0.508 -11.920   5.336
  246   1HE   LYS  36          2HE       LYS  36  -0.623 -11.075   7.293
  247   2HE   LYS  36          1HE       LYS  36   1.073 -10.593   7.340
  248   1HZ   LYS  36          1HZ       LYS  36   0.530  -8.445   7.261
  249   2HZ   LYS  36          2HZ       LYS  36  -1.038  -8.931   7.666
  250   3HZ   LYS  36          3HZ       LYS  36  -0.628  -8.669   6.045
  251    H    GLY  37           H        GLY  37   4.646  -8.617   3.337
  252   1HA   GLY  37          2HA       GLY  37   6.651  -9.648   3.962
  253   2HA   GLY  37          1HA       GLY  37   5.993 -11.194   3.428
  254    H    TRP  38           H        TRP  38   6.345  -8.093   1.787
  255    HA   TRP  38           HA       TRP  38   7.195  -9.266  -0.649
  256   1HB   TRP  38          2HB       TRP  38   7.348  -6.995  -1.463
  257   2HB   TRP  38          1HB       TRP  38   5.913  -7.119  -0.452
  258    HD1  TRP  38           HD       TRP  38   9.405  -5.563  -0.514
  259    HE1  TRP  38           1HE      TRP  38   9.539  -3.722   1.271
  260    HE3  TRP  38           3HE      TRP  38   4.884  -6.295   1.755
  261    HZ2  TRP  38           2HZ      TRP  38   7.943  -2.709   3.365
  262    HZ3  TRP  38           3HZ      TRP  38   4.265  -4.850   3.644
  263    HH2  TRP  38           HH       TRP  38   5.764  -3.092   4.431
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1 -14.489  -3.971  -0.033
    2   2H    LYS   1          2HT       LYS   1 -14.715  -4.621  -1.577
    3   3H    LYS   1          3HT       LYS   1 -15.792  -3.460  -0.983
    4    HA   LYS   1           HA       LYS   1 -13.892  -2.807  -2.644
    5   1HB   LYS   1          2HB       LYS   1 -14.668  -1.247  -0.164
    6   2HB   LYS   1          1HB       LYS   1 -13.917  -0.548  -1.586
    7   1HG   LYS   1          2HG       LYS   1 -16.587  -1.928  -1.623
    8   2HG   LYS   1          1HG       LYS   1 -16.382  -0.197  -1.375
    9   1HD   LYS   1          2HD       LYS   1 -15.650  -1.802  -3.821
   10   2HD   LYS   1          1HD       LYS   1 -16.906  -0.575  -3.682
   11   1HE   LYS   1          2HE       LYS   1 -13.926  -0.226  -3.749
   12   2HE   LYS   1          1HE       LYS   1 -15.144   0.499  -4.791
   13   1HZ   LYS   1          1HZ       LYS   1 -15.743   1.374  -2.250
   14   2HZ   LYS   1          2HZ       LYS   1 -15.014   2.270  -3.481
   15   3HZ   LYS   1          3HZ       LYS   1 -14.050   1.464  -2.342
   16    H    CYS   2           H        CYS   2 -11.716  -3.009  -2.769
   17    HA   CYS   2           HA       CYS   2 -10.055  -2.169  -0.626
   18   1HB   CYS   2          2HB       CYS   2  -8.850  -4.253  -0.234
   19   2HB   CYS   2          1HB       CYS   2 -10.534  -4.397   0.228
   20    H    LEU   3           H        LEU   3  -7.872  -2.054  -1.167
   21    HA   LEU   3           HA       LEU   3  -7.460  -1.556  -3.975
   22   1HB   LEU   3          2HB       LEU   3  -5.607  -1.294  -1.612
   23   2HB   LEU   3          1HB       LEU   3  -5.263  -0.727  -3.230
   24    HG   LEU   3           HG       LEU   3  -7.446   0.283  -1.419
   25   1HD1  LEU   3          1HD1      LEU   3  -4.920   0.877  -1.099
   26   2HD1  LEU   3          2HD1      LEU   3  -6.161   2.127  -1.000
   27   3HD1  LEU   3          3HD1      LEU   3  -5.213   1.941  -2.476
   28   1HD2  LEU   3          1HD2      LEU   3  -8.241   0.393  -3.675
   29   2HD2  LEU   3          2HD2      LEU   3  -6.704   1.047  -4.240
   30   3HD2  LEU   3          3HD2      LEU   3  -7.743   2.015  -3.194
   31    H    ALA   4           H        ALA   4  -6.298  -2.751  -5.386
   32    HA   ALA   4           HA       ALA   4  -5.613  -5.433  -4.630
   33   1HB   ALA   4          1HB       ALA   4  -5.091  -5.752  -6.984
   34   2HB   ALA   4          2HB       ALA   4  -5.214  -4.014  -7.261
   35   3HB   ALA   4          3HB       ALA   4  -6.644  -4.936  -6.793
   36    H    GLU   5           H        GLU   5  -3.432  -6.051  -6.129
   37    HA   GLU   5           HA       GLU   5  -1.319  -5.195  -4.442
   38   1HB   GLU   5          2HB       GLU   5   0.075  -6.622  -6.022
   39   2HB   GLU   5          1HB       GLU   5  -1.198  -7.430  -5.120
   40   1HG   GLU   5          2HG       GLU   5  -2.625  -7.013  -7.239
   41   2HG   GLU   5          1HG       GLU   5  -1.064  -6.779  -8.029
   42    H    ALA   6           H        ALA   6   0.237  -3.839  -4.741
   43    HA   ALA   6           HA       ALA   6   1.467  -2.109  -5.494
   44   1HB   ALA   6          1HB       ALA   6   2.559  -2.794  -7.304
   45   2HB   ALA   6          2HB       ALA   6   1.239  -2.169  -8.295
   46   3HB   ALA   6          3HB       ALA   6   1.222  -3.851  -7.762
   47    H    ALA   7           H        ALA   7  -1.078  -1.521  -4.720
   48    HA   ALA   7           HA       ALA   7  -1.858   0.548  -6.683
   49   1HB   ALA   7          1HB       ALA   7  -4.140   0.346  -5.978
   50   2HB   ALA   7          2HB       ALA   7  -3.693  -0.779  -4.694
   51   3HB   ALA   7          3HB       ALA   7  -3.538  -1.262  -6.383
   52    H    ASP   8           H        ASP   8  -1.734   2.602  -6.032
   53    HA   ASP   8           HA       ASP   8  -0.590   3.442  -3.649
   54   1HB   ASP   8          2HB       ASP   8  -0.987   4.733  -5.854
   55   2HB   ASP   8          1HB       ASP   8  -2.565   5.131  -5.183
   56    H    CYS   9           H        CYS   9  -1.376   3.919  -1.606
   57    HA   CYS   9           HA       CYS   9  -4.246   3.381  -1.249
   58   1HB   CYS   9          2HB       CYS   9  -3.845   2.403   0.826
   59   2HB   CYS   9          1HB       CYS   9  -2.522   1.830  -0.167
   60    H    SER  10           H        SER  10  -4.841   4.194   1.115
   61    HA   SER  10           HA       SER  10  -3.938   6.855   1.720
   62   1HB   SER  10          2HB       SER  10  -6.688   6.382   0.545
   63   2HB   SER  10          1HB       SER  10  -6.264   7.826   1.463
   64    HG   SER  10           HG       SER  10  -4.527   7.161  -0.597
   65    HA   PRO  11           HA       PRO  11  -5.091   5.444   5.724
   66   1HB   PRO  11          2HB       PRO  11  -5.707   8.245   6.410
   67   2HB   PRO  11          1HB       PRO  11  -4.503   7.157   7.103
   68   1HG   PRO  11          2HG       PRO  11  -3.811   9.209   5.515
   69   2HG   PRO  11          1HG       PRO  11  -2.924   7.677   5.512
   70   1HD   PRO  11          2HD       PRO  11  -4.912   8.715   3.544
   71   2HD   PRO  11          1HD       PRO  11  -3.433   7.775   3.269
   72    H    TRP  12           H        TRP  12  -7.202   7.976   4.387
   73    HA   TRP  12           HA       TRP  12  -9.521   6.421   5.289
   74   1HB   TRP  12          2HB       TRP  12  -9.310   9.427   5.580
   75   2HB   TRP  12          1HB       TRP  12 -10.677   8.424   6.048
   76    HD1  TRP  12           HD       TRP  12 -10.284   6.795   8.220
   77    HE1  TRP  12           1HE      TRP  12  -8.775   7.130  10.278
   78    HE3  TRP  12           3HE      TRP  12  -7.165  10.400   6.367
   79    HZ2  TRP  12           2HZ      TRP  12  -6.564   8.718  11.023
   80    HZ3  TRP  12           3HZ      TRP  12  -5.385  11.279   7.820
   81    HH2  TRP  12           HH       TRP  12  -5.092  10.454  10.099
   82    H    SER  13           H        SER  13  -8.163   8.834   3.147
   83    HA   SER  13           HA       SER  13 -10.517   9.140   1.555
   84   1HB   SER  13          2HB       SER  13  -8.825  10.323   0.019
   85   2HB   SER  13          1HB       SER  13  -9.085  11.006   1.626
   86    HG   SER  13           HG       SER  13  -6.868   9.660   0.583
   87    H    GLY  14           H        GLY  14 -10.010   6.400   1.672
   88   1HA   GLY  14          2HA       GLY  14 -10.172   5.631  -0.981
   89   2HA   GLY  14          1HA       GLY  14  -8.473   5.498  -0.550
   90    H    ASP  15           H        ASP  15 -10.039   3.346  -1.347
   91    HA   ASP  15           HA       ASP  15 -11.144   1.797   0.713
   92   1HB   ASP  15          2HB       ASP  15  -9.902   1.096  -1.938
   93   2HB   ASP  15          1HB       ASP  15 -10.442  -0.160  -0.837
   94    H    SER  16           H        SER  16 -10.275  -0.014   1.830
   95    HA   SER  16           HA       SER  16  -7.537   0.346   2.668
   96   1HB   SER  16          2HB       SER  16  -9.408  -1.903   3.433
   97   2HB   SER  16          1HB       SER  16  -8.017  -1.304   4.335
   98    HG   SER  16           HG       SER  16  -9.527   0.776   4.041
   99    H    CYS  17           H        CYS  17  -5.887  -1.253   2.390
  100    HA   CYS  17           HA       CYS  17  -5.781  -2.420  -0.159
  101   1HB   CYS  17          2HB       CYS  17  -4.134  -3.187   2.261
  102   2HB   CYS  17          1HB       CYS  17  -3.709  -3.456   0.577
  103    H    CYS  18           H        CYS  18  -6.107  -4.501  -0.901
  104    HA   CYS  18           HA       CYS  18  -7.921  -6.185   0.497
  105   1HB   CYS  18          2HB       CYS  18  -6.135  -6.880  -1.855
  106   2HB   CYS  18          1HB       CYS  18  -7.509  -7.822  -1.299
  107    H    LYS  19           H        LYS  19  -7.558  -8.095   1.568
  108    HA   LYS  19           HA       LYS  19  -5.009  -8.275   2.862
  109   1HB   LYS  19          2HB       LYS  19  -6.044 -10.130   4.101
  110   2HB   LYS  19          1HB       LYS  19  -7.033  -8.687   4.129
  111   1HG   LYS  19          2HG       LYS  19  -8.507  -9.620   2.455
  112   2HG   LYS  19          1HG       LYS  19  -7.472 -11.041   2.302
  113   1HD   LYS  19          2HD       LYS  19  -7.924 -11.592   4.661
  114   2HD   LYS  19          1HD       LYS  19  -9.005 -10.201   4.762
  115   1HE   LYS  19          2HE       LYS  19 -10.265 -12.257   4.408
  116   2HE   LYS  19          1HE       LYS  19 -10.424 -11.174   3.026
  117   1HZ   LYS  19          1HZ       LYS  19  -8.678 -12.490   1.909
  118   2HZ   LYS  19          2HZ       LYS  19 -10.065 -13.397   2.251
  119   3HZ   LYS  19          3HZ       LYS  19  -8.683 -13.573   3.208
  120    HA   PRO  20           HA       PRO  20  -3.793  -9.335   3.758
  121   1HB   PRO  20          2HB       PRO  20  -1.549 -10.741   4.062
  122   2HB   PRO  20          1HB       PRO  20  -3.131 -11.503   4.267
  123   1HG   PRO  20          2HG       PRO  20  -1.173 -11.811   2.079
  124   2HG   PRO  20          1HG       PRO  20  -2.462 -12.909   2.595
  125   1HD   PRO  20          2HD       PRO  20  -2.495 -10.950   0.447
  126   2HD   PRO  20          1HD       PRO  20  -3.725 -12.163   0.862
  127    H    TYR  21           H        TYR  21  -3.261  -7.986   1.147
  128    HA   TYR  21           HA       TYR  21  -0.460  -7.401   1.063
  129   1HB   TYR  21          2HB       TYR  21  -2.710  -5.835  -0.224
  130   2HB   TYR  21          1HB       TYR  21  -0.998  -5.719  -0.597
  131    HD1  TYR  21           1HD      TYR  21  -3.879  -8.080  -0.716
  132    HD2  TYR  21           2HD      TYR  21  -0.015  -7.098  -2.191
  133    HE1  TYR  21           1HE      TYR  21  -4.092  -9.835  -2.425
  134    HE2  TYR  21           2HE      TYR  21  -0.217  -8.844  -3.905
  135    HH   TYR  21           HH       TYR  21  -1.826 -10.132  -5.045
  136    H    LEU  22           H        LEU  22   0.614  -5.627   1.715
  137    HA   LEU  22           HA       LEU  22  -0.744  -3.929   3.707
  138   1HB   LEU  22          2HB       LEU  22   0.921  -5.432   4.676
  139   2HB   LEU  22          1HB       LEU  22   2.127  -4.857   3.544
  140    HG   LEU  22           HG       LEU  22   1.889  -2.577   4.606
  141   1HD1  LEU  22          1HD1      LEU  22   0.532  -4.080   6.826
  142   2HD1  LEU  22          2HD1      LEU  22  -0.348  -3.131   5.628
  143   3HD1  LEU  22          3HD1      LEU  22   0.814  -2.344   6.697
  144   1HD2  LEU  22          1HD2      LEU  22   2.912  -3.682   6.882
  145   2HD2  LEU  22          2HD2      LEU  22   3.817  -3.395   5.396
  146   3HD2  LEU  22          3HD2      LEU  22   3.124  -4.986   5.713
  147    H    CYS  23           H        CYS  23  -0.500  -1.698   3.521
  148    HA   CYS  23           HA       CYS  23   0.422  -0.744   0.993
  149   1HB   CYS  23          2HB       CYS  23  -1.480   0.327   2.169
  150   2HB   CYS  23          1HB       CYS  23  -0.356   0.918   3.391
  151    H    SER  24           H        SER  24   2.471  -0.843   0.594
  152    HA   SER  24           HA       SER  24   4.487  -0.295   2.579
  153   1HB   SER  24          2HB       SER  24   6.045  -0.676   0.644
  154   2HB   SER  24          1HB       SER  24   4.927  -2.012   0.912
  155    HG   SER  24           HG       SER  24   3.837  -0.201  -0.756
  156    H    CYS  25           H        CYS  25   5.505   1.635   2.866
  157    HA   CYS  25           HA       CYS  25   5.254   3.676   0.797
  158   1HB   CYS  25          2HB       CYS  25   3.385   3.849   2.588
  159   2HB   CYS  25          1HB       CYS  25   4.667   4.423   3.650
  160    H    ILE  26           H        ILE  26   7.490   2.390   1.100
  161    HA   ILE  26           HA       ILE  26   9.207   3.627   3.077
  162    HB   ILE  26           HB       ILE  26  10.970   2.185   2.215
  163   1HG1  ILE  26          2HG1      ILE  26   8.918   1.297   0.173
  164   2HG1  ILE  26          1HG1      ILE  26  10.375   2.225  -0.159
  165   1HG2  ILE  26          1HG2      ILE  26  10.073   0.779   3.690
  166   2HG2  ILE  26          2HG2      ILE  26   9.270  -0.009   2.330
  167   3HG2  ILE  26          3HG2      ILE  26   8.432   1.248   3.242
  168   1HD1  ILE  26          1HD1      ILE  26  10.042  -0.583  -0.086
  169   2HD1  ILE  26          2HD1      ILE  26  11.143  -0.126   1.214
  170   3HD1  ILE  26          3HD1      ILE  26  11.496   0.348  -0.447
  171    H    PHE  27           H        PHE  27  11.567   3.832   1.690
  172    HA   PHE  27           HA       PHE  27  11.406   6.434   0.667
  173   1HB   PHE  27          2HB       PHE  27  13.583   4.361   0.576
  174   2HB   PHE  27          1HB       PHE  27  13.791   5.966  -0.110
  175    HD1  PHE  27           1HD      PHE  27  15.036   7.352   1.207
  176    HD2  PHE  27           2HD      PHE  27  12.403   4.587   3.086
  177    HE1  PHE  27           1HE      PHE  27  15.719   8.204   3.410
  178    HE2  PHE  27           2HE      PHE  27  13.079   5.436   5.292
  179    HZ   PHE  27           HZ       PHE  27  14.739   7.247   5.457
  180    H    PHE  28           H        PHE  28  12.197   3.440  -1.109
  181    HA   PHE  28           HA       PHE  28  12.021   4.788  -3.635
  182   1HB   PHE  28          2HB       PHE  28  12.417   1.884  -2.912
  183   2HB   PHE  28          1HB       PHE  28  12.366   2.465  -4.572
  184    HD1  PHE  28           1HD      PHE  28  14.108   3.349  -1.375
  185    HD2  PHE  28           2HD      PHE  28  14.381   2.791  -5.586
  186    HE1  PHE  28           1HE      PHE  28  16.515   3.846  -1.282
  187    HE2  PHE  28           2HE      PHE  28  16.789   3.286  -5.499
  188    HZ   PHE  28           HZ       PHE  28  17.859   3.815  -3.344
  189    H    TYR  29           H        TYR  29   9.927   2.751  -1.747
  190    HA   TYR  29           HA       TYR  29   7.983   2.663  -3.936
  191   1HB   TYR  29          2HB       TYR  29   8.281   1.055  -1.410
  192   2HB   TYR  29          1HB       TYR  29   6.775   1.063  -2.315
  193    HD1  TYR  29           1HD      TYR  29   6.571  -1.038  -3.230
  194    HD2  TYR  29           2HD      TYR  29  10.316   0.956  -3.534
  195    HE1  TYR  29           1HE      TYR  29   7.409  -2.847  -4.665
  196    HE2  TYR  29           2HE      TYR  29  11.163  -0.849  -4.974
  197    HH   TYR  29           HH       TYR  29  10.138  -3.688  -5.165
  198    HA   PRO  30           HA       PRO  30   5.898   6.001  -1.708
  199   1HB   PRO  30          2HB       PRO  30   4.001   5.786  -3.948
  200   2HB   PRO  30          1HB       PRO  30   4.969   7.170  -3.434
  201   1HG   PRO  30          2HG       PRO  30   5.507   5.828  -5.700
  202   2HG   PRO  30          1HG       PRO  30   6.788   6.541  -4.703
  203   1HD   PRO  30          2HD       PRO  30   5.886   3.689  -4.877
  204   2HD   PRO  30          1HD       PRO  30   7.534   4.344  -4.779
  205    H    CYS  31           H        CYS  31   3.703   6.199  -0.803
  206    HA   CYS  31           HA       CYS  31   2.763   3.965   0.461
  207   1HB   CYS  31          2HB       CYS  31   1.416   6.556  -0.255
  208   2HB   CYS  31          1HB       CYS  31   0.523   5.297   0.582
  209    H    SER  32           H        SER  32   2.383   2.140  -0.724
  210    HA   SER  32           HA       SER  32  -0.080   2.058  -2.240
  211   1HB   SER  32          2HB       SER  32   1.127   0.858  -4.156
  212   2HB   SER  32          1HB       SER  32   1.337   2.605  -4.065
  213    HG   SER  32           HG       SER  32   3.334   2.185  -2.940
  214    H    CYS  33           H        CYS  33  -1.051   0.082  -2.135
  215    HA   CYS  33           HA       CYS  33  -0.153  -1.764  -0.199
  216   1HB   CYS  33          2HB       CYS  33  -2.199  -2.413  -2.306
  217   2HB   CYS  33          1HB       CYS  33  -2.102  -2.995  -0.653
  218    H    ARG  34           H        ARG  34   1.310  -3.212  -0.369
  219    HA   ARG  34           HA       ARG  34   1.935  -4.450  -2.973
  220   1HB   ARG  34          2HB       ARG  34   3.705  -3.268  -0.874
  221   2HB   ARG  34          1HB       ARG  34   4.251  -4.749  -1.634
  222   1HG   ARG  34          2HG       ARG  34   5.084  -2.546  -2.593
  223   2HG   ARG  34          1HG       ARG  34   4.460  -3.738  -3.726
  224   1HD   ARG  34          2HD       ARG  34   2.470  -2.547  -4.054
  225   2HD   ARG  34          1HD       ARG  34   2.718  -1.570  -2.610
  226    HE   ARG  34           HE       ARG  34   3.765  -0.065  -3.929
  227   1HH1  ARG  34          1HH1      ARG  34   4.183  -3.204  -5.453
  228   2HH1  ARG  34          2HH1      ARG  34   5.060  -2.569  -6.803
  229   1HH2  ARG  34          1HH2      ARG  34   4.902   0.762  -5.703
  230   2HH2  ARG  34          2HH2      ARG  34   5.471  -0.302  -6.946
  231    HA   PRO  35           HA       PRO  35   1.154  -8.381  -1.131
  232   1HB   PRO  35          2HB       PRO  35   3.919  -9.215  -1.831
  233   2HB   PRO  35          1HB       PRO  35   2.373  -9.972  -2.235
  234   1HG   PRO  35          2HG       PRO  35   3.773  -8.606  -4.063
  235   2HG   PRO  35          1HG       PRO  35   2.002  -8.568  -4.032
  236   1HD   PRO  35          2HD       PRO  35   3.956  -6.495  -3.160
  237   2HD   PRO  35          1HD       PRO  35   2.350  -6.300  -3.883
  238    H    LYS  36           H        LYS  36   1.626  -9.627   0.737
  239    HA   LYS  36           HA       LYS  36   3.079  -8.171   2.738
  240   1HB   LYS  36          2HB       LYS  36   0.918  -9.470   3.089
  241   2HB   LYS  36          1HB       LYS  36   1.877 -10.936   2.979
  242   1HG   LYS  36          2HG       LYS  36   2.521  -8.803   4.985
  243   2HG   LYS  36          1HG       LYS  36   1.294 -10.029   5.301
  244   1HD   LYS  36          2HD       LYS  36   2.992 -11.781   4.899
  245   2HD   LYS  36          1HD       LYS  36   4.207 -10.520   4.678
  246   1HE   LYS  36          2HE       LYS  36   4.315 -11.418   6.932
  247   2HE   LYS  36          1HE       LYS  36   3.790  -9.735   6.965
  248   1HZ   LYS  36          1HZ       LYS  36   1.444 -10.755   6.974
  249   2HZ   LYS  36          2HZ       LYS  36   2.337 -10.763   8.411
  250   3HZ   LYS  36          3HZ       LYS  36   2.218 -12.172   7.481
  251    H    GLY  37           H        GLY  37   5.198  -8.216   2.679
  252   1HA   GLY  37          2HA       GLY  37   7.277  -9.261   3.123
  253   2HA   GLY  37          1HA       GLY  37   6.578 -10.801   2.628
  254    H    TRP  38           H        TRP  38   6.624  -7.653   1.040
  255    HA   TRP  38           HA       TRP  38   7.274  -8.796  -1.493
  256   1HB   TRP  38          2HB       TRP  38   6.990  -6.598  -2.367
  257   2HB   TRP  38          1HB       TRP  38   5.789  -6.767  -1.091
  258    HD1  TRP  38           HD       TRP  38   8.888  -4.806  -2.048
  259    HE1  TRP  38           1HE      TRP  38   9.242  -2.887  -0.377
  260    HE3  TRP  38           3HE      TRP  38   5.364  -6.086   1.426
  261    HZ2  TRP  38           2HZ      TRP  38   8.173  -2.025   2.087
  262    HZ3  TRP  38           3HZ      TRP  38   5.095  -4.664   3.411
  263    HH2  TRP  38           HH       TRP  38   6.470  -2.675   3.735
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1 -14.601  -3.681  -1.063
    2   2H    LYS   1          2HT       LYS   1 -14.895  -4.865  -2.236
    3   3H    LYS   1          3HT       LYS   1 -15.631  -3.348  -2.364
    4    HA   LYS   1           HA       LYS   1 -13.328  -4.123  -3.560
    5   1HB   LYS   1          2HB       LYS   1 -13.213  -1.853  -4.336
    6   2HB   LYS   1          1HB       LYS   1 -14.905  -2.286  -4.190
    7   1HG   LYS   1          2HG       LYS   1 -13.427  -0.728  -2.086
    8   2HG   LYS   1          1HG       LYS   1 -14.268   0.029  -3.437
    9   1HD   LYS   1          2HD       LYS   1 -16.353  -1.111  -2.684
   10   2HD   LYS   1          1HD       LYS   1 -15.474  -1.680  -1.264
   11   1HE   LYS   1          2HE       LYS   1 -15.951   1.200  -2.040
   12   2HE   LYS   1          1HE       LYS   1 -16.760   0.325  -0.741
   13   1HZ   LYS   1          1HZ       LYS   1 -13.977   0.115  -0.384
   14   2HZ   LYS   1          2HZ       LYS   1 -15.112   0.883   0.612
   15   3HZ   LYS   1          3HZ       LYS   1 -14.352   1.746  -0.633
   16    H    CYS   2           H        CYS   2 -11.159  -3.468  -3.414
   17    HA   CYS   2           HA       CYS   2 -10.105  -2.202  -1.047
   18   1HB   CYS   2          2HB       CYS   2  -8.734  -4.239  -0.446
   19   2HB   CYS   2          1HB       CYS   2 -10.445  -4.350  -0.055
   20    H    LEU   3           H        LEU   3  -7.802  -1.947  -1.205
   21    HA   LEU   3           HA       LEU   3  -6.974  -1.540  -3.931
   22   1HB   LEU   3          2HB       LEU   3  -5.426  -1.155  -1.368
   23   2HB   LEU   3          1HB       LEU   3  -5.015  -0.505  -2.937
   24    HG   LEU   3           HG       LEU   3  -7.437   0.256  -1.310
   25   1HD1  LEU   3          1HD1      LEU   3  -5.420   2.277  -1.959
   26   2HD1  LEU   3          2HD1      LEU   3  -4.861   1.013  -0.862
   27   3HD1  LEU   3          3HD1      LEU   3  -6.283   1.973  -0.451
   28   1HD2  LEU   3          1HD2      LEU   3  -7.125   0.398  -4.046
   29   2HD2  LEU   3          2HD2      LEU   3  -6.652   2.005  -3.496
   30   3HD2  LEU   3          3HD2      LEU   3  -8.239   1.361  -3.076
   31    H    ALA   4           H        ALA   4  -5.988  -3.072  -5.121
   32    HA   ALA   4           HA       ALA   4  -5.033  -5.489  -3.901
   33   1HB   ALA   4          1HB       ALA   4  -6.213  -5.295  -6.141
   34   2HB   ALA   4          2HB       ALA   4  -4.789  -6.335  -6.081
   35   3HB   ALA   4          3HB       ALA   4  -4.674  -4.721  -6.782
   36    H    GLU   5           H        GLU   5  -2.872  -6.146  -5.534
   37    HA   GLU   5           HA       GLU   5  -0.781  -4.882  -4.088
   38   1HB   GLU   5          2HB       GLU   5   0.692  -6.298  -5.627
   39   2HB   GLU   5          1HB       GLU   5  -0.381  -7.133  -4.515
   40   1HG   GLU   5          2HG       GLU   5  -2.010  -7.313  -6.442
   41   2HG   GLU   5          1HG       GLU   5  -0.680  -6.785  -7.477
   42    H    ALA   6           H        ALA   6   0.544  -3.383  -4.610
   43    HA   ALA   6           HA       ALA   6   1.560  -1.656  -5.636
   44   1HB   ALA   6          1HB       ALA   6   2.478  -2.309  -7.552
   45   2HB   ALA   6          2HB       ALA   6   0.972  -1.921  -8.383
   46   3HB   ALA   6          3HB       ALA   6   1.240  -3.548  -7.760
   47    H    ALA   7           H        ALA   7  -1.050  -1.450  -4.641
   48    HA   ALA   7           HA       ALA   7  -2.301   0.417  -6.546
   49   1HB   ALA   7          1HB       ALA   7  -4.249  -0.476  -5.987
   50   2HB   ALA   7          2HB       ALA   7  -3.977  -0.078  -4.291
   51   3HB   ALA   7          3HB       ALA   7  -3.405  -1.616  -4.937
   52    H    ASP   8           H        ASP   8  -2.308   2.526  -6.133
   53    HA   ASP   8           HA       ASP   8  -0.808   3.690  -4.085
   54   1HB   ASP   8          2HB       ASP   8  -1.322   4.827  -6.203
   55   2HB   ASP   8          1HB       ASP   8  -3.019   4.923  -5.746
   56    H    CYS   9           H        CYS   9  -1.259   4.363  -2.055
   57    HA   CYS   9           HA       CYS   9  -3.908   3.711  -1.001
   58   1HB   CYS   9          2HB       CYS   9  -1.550   4.662   0.606
   59   2HB   CYS   9          1HB       CYS   9  -2.977   3.825   1.182
   60    H    SER  10           H        SER  10  -5.063   5.179   0.303
   61    HA   SER  10           HA       SER  10  -4.967   7.882  -0.682
   62   1HB   SER  10          2HB       SER  10  -6.755   6.734   1.471
   63   2HB   SER  10          1HB       SER  10  -7.041   8.178   0.498
   64    HG   SER  10           HG       SER  10  -6.663   6.261  -1.225
   65    HA   PRO  11           HA       PRO  11  -2.188   9.390   2.415
   66   1HB   PRO  11          2HB       PRO  11  -2.949  12.042   2.240
   67   2HB   PRO  11          1HB       PRO  11  -1.791  11.244   1.173
   68   1HG   PRO  11          2HG       PRO  11  -4.697  11.799   0.742
   69   2HG   PRO  11          1HG       PRO  11  -3.351  11.929  -0.402
   70   1HD   PRO  11          2HD       PRO  11  -5.024   9.847  -0.466
   71   2HD   PRO  11          1HD       PRO  11  -3.289   9.642  -0.785
   72    H    TRP  12           H        TRP  12  -5.358  11.068   2.574
   73    HA   TRP  12           HA       TRP  12  -5.118  11.263   5.440
   74   1HB   TRP  12          2HB       TRP  12  -7.396  12.050   3.613
   75   2HB   TRP  12          1HB       TRP  12  -7.299  12.422   5.331
   76    HD1  TRP  12           HD       TRP  12  -5.364  14.200   6.076
   77    HE1  TRP  12           1HE      TRP  12  -4.305  16.145   4.767
   78    HE3  TRP  12           3HE      TRP  12  -6.707  12.819   1.338
   79    HZ2  TRP  12           2HZ      TRP  12  -4.076  16.988   2.083
   80    HZ3  TRP  12           3HZ      TRP  12  -6.033  14.255  -0.544
   81    HH2  TRP  12           HH       TRP  12  -4.745  16.297  -0.177
   82    H    SER  13           H        SER  13  -7.362   9.672   3.197
   83    HA   SER  13           HA       SER  13  -7.623   7.336   4.735
   84   1HB   SER  13          2HB       SER  13  -8.894   8.972   6.205
   85   2HB   SER  13          1HB       SER  13 -10.057   9.135   4.889
   86    HG   SER  13           HG       SER  13  -9.718   7.100   6.695
   87    H    GLY  14           H        GLY  14  -8.935   5.786   3.672
   88   1HA   GLY  14          2HA       GLY  14 -10.628   6.385   1.495
   89   2HA   GLY  14          1HA       GLY  14  -9.024   5.987   0.894
   90    H    ASP  15           H        ASP  15  -9.555   4.059  -0.070
   91    HA   ASP  15           HA       ASP  15 -11.028   2.054   1.366
   92   1HB   ASP  15          2HB       ASP  15 -10.141   2.424  -1.363
   93   2HB   ASP  15          1HB       ASP  15  -9.837   0.782  -0.805
   94    H    SER  16           H        SER  16 -10.256  -0.079   1.761
   95    HA   SER  16           HA       SER  16  -7.580  -0.027   2.883
   96   1HB   SER  16          2HB       SER  16  -9.700  -2.147   3.188
   97   2HB   SER  16          1HB       SER  16  -8.252  -1.947   4.170
   98    HG   SER  16           HG       SER  16  -9.708   0.330   4.116
   99    H    CYS  17           H        CYS  17  -6.051  -1.658   2.519
  100    HA   CYS  17           HA       CYS  17  -5.904  -2.555  -0.181
  101   1HB   CYS  17          2HB       CYS  17  -4.185  -3.479   2.135
  102   2HB   CYS  17          1HB       CYS  17  -3.779  -3.514   0.425
  103    H    CYS  18           H        CYS  18  -6.089  -4.649  -0.980
  104    HA   CYS  18           HA       CYS  18  -7.929  -6.397   0.268
  105   1HB   CYS  18          2HB       CYS  18  -5.994  -6.954  -2.000
  106   2HB   CYS  18          1HB       CYS  18  -7.369  -7.958  -1.561
  107    H    LYS  19           H        LYS  19  -7.574  -8.412   1.210
  108    HA   LYS  19           HA       LYS  19  -5.125  -8.584   2.684
  109   1HB   LYS  19          2HB       LYS  19  -6.355 -10.866   3.338
  110   2HB   LYS  19          1HB       LYS  19  -6.766  -9.326   4.066
  111   1HG   LYS  19          2HG       LYS  19  -8.782 -10.491   3.502
  112   2HG   LYS  19          1HG       LYS  19  -8.616  -9.103   2.429
  113   1HD   LYS  19          2HD       LYS  19  -9.373 -11.041   1.184
  114   2HD   LYS  19          1HD       LYS  19  -7.747 -10.589   0.670
  115   1HE   LYS  19          2HE       LYS  19  -6.902 -12.341   2.300
  116   2HE   LYS  19          1HE       LYS  19  -8.574 -12.890   2.425
  117   1HZ   LYS  19          1HZ       LYS  19  -7.327 -14.156   0.778
  118   2HZ   LYS  19          2HZ       LYS  19  -6.995 -12.741  -0.087
  119   3HZ   LYS  19          3HZ       LYS  19  -8.587 -13.296   0.048
  120    HA   PRO  20           HA       PRO  20  -3.812  -9.504   3.513
  121   1HB   PRO  20          2HB       PRO  20  -1.516 -10.808   3.852
  122   2HB   PRO  20          1HB       PRO  20  -3.063 -11.656   3.984
  123   1HG   PRO  20          2HG       PRO  20  -1.019 -11.816   1.863
  124   2HG   PRO  20          1HG       PRO  20  -2.288 -12.975   2.288
  125   1HD   PRO  20          2HD       PRO  20  -2.307 -10.914   0.224
  126   2HD   PRO  20          1HD       PRO  20  -3.478 -12.220   0.505
  127    H    TYR  21           H        TYR  21  -3.258  -8.112   0.914
  128    HA   TYR  21           HA       TYR  21  -0.498  -7.389   0.889
  129   1HB   TYR  21          2HB       TYR  21  -2.763  -5.801  -0.333
  130   2HB   TYR  21          1HB       TYR  21  -1.061  -5.759  -0.771
  131    HD1  TYR  21           1HD      TYR  21  -0.028  -7.746  -1.885
  132    HD2  TYR  21           2HD      TYR  21  -4.226  -7.411  -1.305
  133    HE1  TYR  21           1HE      TYR  21  -0.396  -9.471  -3.597
  134    HE2  TYR  21           2HE      TYR  21  -4.606  -9.137  -3.013
  135    HH   TYR  21           HH       TYR  21  -2.179 -10.184  -5.147
  136    H    LEU  22           H        LEU  22   0.507  -5.599   1.633
  137    HA   LEU  22           HA       LEU  22  -0.964  -4.028   3.645
  138   1HB   LEU  22          2HB       LEU  22   0.684  -5.552   4.608
  139   2HB   LEU  22          1HB       LEU  22   1.929  -4.884   3.574
  140    HG   LEU  22           HG       LEU  22   1.563  -2.672   4.748
  141   1HD1  LEU  22          1HD1      LEU  22   0.348  -2.557   6.740
  142   2HD1  LEU  22          2HD1      LEU  22   0.222  -4.312   6.868
  143   3HD1  LEU  22          3HD1      LEU  22  -0.702  -3.449   5.639
  144   1HD2  LEU  22          1HD2      LEU  22   2.388  -4.639   6.807
  145   2HD2  LEU  22          2HD2      LEU  22   3.192  -3.170   6.251
  146   3HD2  LEU  22          3HD2      LEU  22   3.268  -4.639   5.279
  147    H    CYS  23           H        CYS  23  -0.744  -1.812   3.622
  148    HA   CYS  23           HA       CYS  23   0.260  -0.625   1.219
  149   1HB   CYS  23          2HB       CYS  23  -1.715   0.323   2.320
  150   2HB   CYS  23          1HB       CYS  23  -0.748   0.701   3.743
  151    H    SER  24           H        SER  24   2.297  -0.239   0.846
  152    HA   SER  24           HA       SER  24   4.090   0.267   3.118
  153   1HB   SER  24          2HB       SER  24   5.903  -0.452   1.607
  154   2HB   SER  24          1HB       SER  24   4.666  -1.699   1.751
  155    HG   SER  24           HG       SER  24   3.960  -0.138  -0.255
  156    H    CYS  25           H        CYS  25   5.419   2.073   3.091
  157    HA   CYS  25           HA       CYS  25   5.253   3.876   0.804
  158   1HB   CYS  25          2HB       CYS  25   3.468   4.390   2.641
  159   2HB   CYS  25          1HB       CYS  25   4.838   5.019   3.552
  160    H    ILE  26           H        ILE  26   7.390   2.539   1.079
  161    HA   ILE  26           HA       ILE  26   9.277   3.681   2.948
  162    HB   ILE  26           HB       ILE  26  10.890   2.106   1.998
  163   1HG1  ILE  26          2HG1      ILE  26   8.639   1.292   0.143
  164   2HG1  ILE  26          1HG1      ILE  26  10.082   2.176  -0.336
  165   1HG2  ILE  26          1HG2      ILE  26  10.041   0.693   3.482
  166   2HG2  ILE  26          2HG2      ILE  26   8.911   0.108   2.260
  167   3HG2  ILE  26          3HG2      ILE  26   8.453   1.442   3.319
  168   1HD1  ILE  26          1HD1      ILE  26  11.401   0.187   0.524
  169   2HD1  ILE  26          2HD1      ILE  26  10.472  -0.044  -0.958
  170   3HD1  ILE  26          3HD1      ILE  26   9.859  -0.670   0.574
  171    H    PHE  27           H        PHE  27  11.580   3.623   1.415
  172    HA   PHE  27           HA       PHE  27  11.605   6.238   0.369
  173   1HB   PHE  27          2HB       PHE  27  13.600   3.990   0.322
  174   2HB   PHE  27          1HB       PHE  27  13.928   5.534  -0.450
  175    HD1  PHE  27           1HD      PHE  27  15.354   6.833   0.772
  176    HD2  PHE  27           2HD      PHE  27  12.468   4.480   2.834
  177    HE1  PHE  27           1HE      PHE  27  16.159   7.729   2.917
  178    HE2  PHE  27           2HE      PHE  27  13.266   5.375   4.981
  179    HZ   PHE  27           HZ       PHE  27  15.114   7.002   5.024
  180    H    PHE  28           H        PHE  28  12.327   3.202  -1.365
  181    HA   PHE  28           HA       PHE  28  12.153   4.454  -3.912
  182   1HB   PHE  28          2HB       PHE  28  12.323   1.560  -3.081
  183   2HB   PHE  28          1HB       PHE  28  12.247   2.059  -4.765
  184    HD1  PHE  28           1HD      PHE  28  14.175   3.085  -1.721
  185    HD2  PHE  28           2HD      PHE  28  14.249   2.042  -5.847
  186    HE1  PHE  28           1HE      PHE  28  16.616   3.388  -1.751
  187    HE2  PHE  28           2HE      PHE  28  16.690   2.343  -5.883
  188    HZ   PHE  28           HZ       PHE  28  17.877   3.016  -3.833
  189    H    TYR  29           H        TYR  29   9.988   2.376  -2.074
  190    HA   TYR  29           HA       TYR  29   7.973   2.596  -4.176
  191   1HB   TYR  29          2HB       TYR  29   8.058   0.931  -1.657
  192   2HB   TYR  29          1HB       TYR  29   6.660   1.021  -2.719
  193    HD1  TYR  29           1HD      TYR  29   6.391  -0.876  -3.959
  194    HD2  TYR  29           2HD      TYR  29  10.345   0.527  -3.257
  195    HE1  TYR  29           1HE      TYR  29   7.280  -2.731  -5.301
  196    HE2  TYR  29           2HE      TYR  29  11.246  -1.323  -4.602
  197    HH   TYR  29           HH       TYR  29  10.068  -3.902  -5.205
  198    HA   PRO  30           HA       PRO  30   6.120   5.908  -1.818
  199   1HB   PRO  30          2HB       PRO  30   4.114   6.425  -3.564
  200   2HB   PRO  30          1HB       PRO  30   5.777   6.954  -3.843
  201   1HG   PRO  30          2HG       PRO  30   4.302   4.638  -5.011
  202   2HG   PRO  30          1HG       PRO  30   5.467   5.731  -5.779
  203   1HD   PRO  30          2HD       PRO  30   6.072   3.205  -4.881
  204   2HD   PRO  30          1HD       PRO  30   7.261   4.506  -5.059
  205    H    CYS  31           H        CYS  31   3.810   6.359  -1.061
  206    HA   CYS  31           HA       CYS  31   2.812   4.250   0.409
  207   1HB   CYS  31          2HB       CYS  31   1.527   6.811  -0.526
  208   2HB   CYS  31          1HB       CYS  31   0.646   5.662   0.467
  209    H    SER  32           H        SER  32   2.345   2.361  -0.617
  210    HA   SER  32           HA       SER  32  -0.102   2.225  -2.117
  211   1HB   SER  32          2HB       SER  32   1.055   0.996  -4.043
  212   2HB   SER  32          1HB       SER  32   1.258   2.748  -3.993
  213    HG   SER  32           HG       SER  32   3.279   2.266  -2.808
  214    H    CYS  33           H        CYS  33  -1.006   0.191  -2.085
  215    HA   CYS  33           HA       CYS  33  -0.052  -1.605  -0.094
  216   1HB   CYS  33          2HB       CYS  33  -2.140  -2.285  -2.159
  217   2HB   CYS  33          1HB       CYS  33  -1.979  -2.911  -0.528
  218    H    ARG  34           H        ARG  34   1.172  -3.331  -0.273
  219    HA   ARG  34           HA       ARG  34   1.816  -4.405  -2.939
  220   1HB   ARG  34          2HB       ARG  34   3.834  -3.917  -0.726
  221   2HB   ARG  34          1HB       ARG  34   4.168  -4.558  -2.328
  222   1HG   ARG  34          2HG       ARG  34   3.049  -1.810  -1.889
  223   2HG   ARG  34          1HG       ARG  34   4.780  -2.147  -1.919
  224   1HD   ARG  34          2HD       ARG  34   4.674  -2.896  -4.174
  225   2HD   ARG  34          1HD       ARG  34   2.909  -2.888  -4.156
  226    HE   ARG  34           HE       ARG  34   3.562  -0.312  -3.597
  227   1HH1  ARG  34          1HH1      ARG  34   4.498  -2.499  -6.168
  228   2HH1  ARG  34          2HH1      ARG  34   4.620  -1.248  -7.359
  229   1HH2  ARG  34          1HH2      ARG  34   3.705   1.328  -5.141
  230   2HH2  ARG  34          2HH2      ARG  34   4.166   0.946  -6.773
  231    HA   PRO  35           HA       PRO  35   1.150  -8.436  -1.272
  232   1HB   PRO  35          2HB       PRO  35   3.981  -9.143  -1.824
  233   2HB   PRO  35          1HB       PRO  35   2.496  -9.950  -2.337
  234   1HG   PRO  35          2HG       PRO  35   3.969  -8.463  -4.027
  235   2HG   PRO  35          1HG       PRO  35   2.204  -8.560  -4.145
  236   1HD   PRO  35          2HD       PRO  35   3.916  -6.346  -3.167
  237   2HD   PRO  35          1HD       PRO  35   2.312  -6.289  -3.918
  238    H    LYS  36           H        LYS  36   1.527  -9.685   0.596
  239    HA   LYS  36           HA       LYS  36   2.854  -8.265   2.710
  240   1HB   LYS  36          2HB       LYS  36   0.753  -9.452   3.126
  241   2HB   LYS  36          1HB       LYS  36   1.502 -10.973   2.667
  242   1HG   LYS  36          2HG       LYS  36   3.016 -10.804   4.583
  243   2HG   LYS  36          1HG       LYS  36   2.246  -9.284   5.048
  244   1HD   LYS  36          2HD       LYS  36   0.139 -10.414   5.400
  245   2HD   LYS  36          1HD       LYS  36   0.817 -11.932   4.806
  246   1HE   LYS  36          2HE       LYS  36   1.742 -10.439   7.260
  247   2HE   LYS  36          1HE       LYS  36   0.695 -11.858   7.262
  248   1HZ   LYS  36          1HZ       LYS  36   3.340 -11.978   7.507
  249   2HZ   LYS  36          2HZ       LYS  36   3.205 -12.145   5.830
  250   3HZ   LYS  36          3HZ       LYS  36   2.411 -13.232   6.854
  251    H    GLY  37           H        GLY  37   4.981  -8.261   2.611
  252   1HA   GLY  37          2HA       GLY  37   7.048  -9.288   3.187
  253   2HA   GLY  37          1HA       GLY  37   6.383 -10.839   2.681
  254    H    TRP  38           H        TRP  38   6.452  -7.706   1.078
  255    HA   TRP  38           HA       TRP  38   7.104  -8.799  -1.451
  256   1HB   TRP  38          2HB       TRP  38   7.054  -6.533  -2.242
  257   2HB   TRP  38          1HB       TRP  38   5.778  -6.691  -1.040
  258    HD1  TRP  38           HD       TRP  38   9.178  -5.038  -1.600
  259    HE1  TRP  38           1HE      TRP  38   9.516  -3.193   0.157
  260    HE3  TRP  38           3HE      TRP  38   5.072  -5.920   1.313
  261    HZ2  TRP  38           2HZ      TRP  38   8.216  -2.236   2.472
  262    HZ3  TRP  38           3HZ      TRP  38   4.693  -4.500   3.281
  263    HH2  TRP  38           HH       TRP  38   6.233  -2.694   3.848
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1 -15.896  -2.764  -1.027
    2   2H    LYS   1          2HT       LYS   1 -14.669  -3.199   0.054
    3   3H    LYS   1          3HT       LYS   1 -15.144  -4.273  -1.165
    4    HA   LYS   1           HA       LYS   1 -13.932  -3.275  -2.739
    5   1HB   LYS   1          2HB       LYS   1 -14.370  -0.657  -1.273
    6   2HB   LYS   1          1HB       LYS   1 -13.648  -0.836  -2.864
    7   1HG   LYS   1          2HG       LYS   1 -15.814  -1.795  -3.651
    8   2HG   LYS   1          1HG       LYS   1 -16.501  -1.379  -2.082
    9   1HD   LYS   1          2HD       LYS   1 -15.262   0.577  -4.022
   10   2HD   LYS   1          1HD       LYS   1 -16.990   0.311  -3.815
   11   1HE   LYS   1          2HE       LYS   1 -16.810   2.067  -2.407
   12   2HE   LYS   1          1HE       LYS   1 -16.295   0.826  -1.267
   13   1HZ   LYS   1          1HZ       LYS   1 -14.006   1.555  -2.607
   14   2HZ   LYS   1          2HZ       LYS   1 -14.433   1.998  -1.032
   15   3HZ   LYS   1          3HZ       LYS   1 -14.818   3.014  -2.329
   16    H    CYS   2           H        CYS   2 -11.686  -2.983  -2.895
   17    HA   CYS   2           HA       CYS   2 -10.146  -2.104  -0.655
   18   1HB   CYS   2          2HB       CYS   2  -8.898  -4.203  -0.314
   19   2HB   CYS   2          1HB       CYS   2 -10.585  -4.350   0.145
   20    H    LEU   3           H        LEU   3  -7.931  -1.953  -1.119
   21    HA   LEU   3           HA       LEU   3  -7.438  -1.329  -3.881
   22   1HB   LEU   3          2HB       LEU   3  -5.613  -1.229  -1.482
   23   2HB   LEU   3          1HB       LEU   3  -5.293  -0.504  -3.041
   24    HG   LEU   3           HG       LEU   3  -7.526   0.277  -1.173
   25   1HD1  LEU   3          1HD1      LEU   3  -5.588   2.314  -1.809
   26   2HD1  LEU   3          2HD1      LEU   3  -4.827   0.914  -1.054
   27   3HD1  LEU   3          3HD1      LEU   3  -6.153   1.743  -0.239
   28   1HD2  LEU   3          1HD2      LEU   3  -7.159   0.718  -3.977
   29   2HD2  LEU   3          2HD2      LEU   3  -7.041   2.253  -3.117
   30   3HD2  LEU   3          3HD2      LEU   3  -8.476   1.245  -2.930
   31    H    ALA   4           H        ALA   4  -6.294  -2.491  -5.338
   32    HA   ALA   4           HA       ALA   4  -5.561  -5.188  -4.669
   33   1HB   ALA   4          1HB       ALA   4  -5.077  -5.455  -7.011
   34   2HB   ALA   4          2HB       ALA   4  -5.101  -3.709  -7.257
   35   3HB   ALA   4          3HB       ALA   4  -6.587  -4.562  -6.841
   36    H    GLU   5           H        GLU   5  -3.334  -5.891  -5.835
   37    HA   GLU   5           HA       GLU   5  -1.325  -4.725  -4.216
   38   1HB   GLU   5          2HB       GLU   5   0.215  -6.268  -5.472
   39   2HB   GLU   5          1HB       GLU   5  -1.107  -7.037  -4.610
   40   1HG   GLU   5          2HG       GLU   5  -2.349  -7.201  -6.732
   41   2HG   GLU   5          1HG       GLU   5  -0.952  -6.520  -7.568
   42    H    ALA   6           H        ALA   6   0.323  -3.493  -4.700
   43    HA   ALA   6           HA       ALA   6   1.557  -1.876  -5.652
   44   1HB   ALA   6          1HB       ALA   6   2.461  -2.578  -7.563
   45   2HB   ALA   6          2HB       ALA   6   1.001  -2.108  -8.434
   46   3HB   ALA   6          3HB       ALA   6   1.145  -3.735  -7.768
   47    H    ALA   7           H        ALA   7  -0.846  -1.190  -4.659
   48    HA   ALA   7           HA       ALA   7  -1.646   0.957  -6.511
   49   1HB   ALA   7          1HB       ALA   7  -3.616  -0.458  -4.732
   50   2HB   ALA   7          2HB       ALA   7  -3.333  -0.924  -6.409
   51   3HB   ALA   7          3HB       ALA   7  -3.946   0.687  -6.033
   52    H    ASP   8           H        ASP   8  -1.410   2.901  -5.642
   53    HA   ASP   8           HA       ASP   8  -0.465   3.361  -3.072
   54   1HB   ASP   8          2HB       ASP   8  -1.812   5.228  -5.022
   55   2HB   ASP   8          1HB       ASP   8  -1.103   5.770  -3.505
   56    H    CYS   9           H        CYS   9  -1.382   3.628  -1.125
   57    HA   CYS   9           HA       CYS   9  -4.257   3.249  -0.976
   58   1HB   CYS   9          2HB       CYS   9  -3.951   2.832   1.394
   59   2HB   CYS   9          1HB       CYS   9  -2.856   1.848   0.449
   60    H    SER  10           H        SER  10  -5.387   4.378   0.833
   61    HA   SER  10           HA       SER  10  -5.181   7.218   0.356
   62   1HB   SER  10          2HB       SER  10  -7.090   5.740   2.179
   63   2HB   SER  10          1HB       SER  10  -7.289   7.364   1.518
   64    HG   SER  10           HG       SER  10  -6.873   5.672  -0.498
   65    HA   PRO  11           HA       PRO  11  -2.548   7.844   3.891
   66   1HB   PRO  11          2HB       PRO  11  -2.666  10.569   3.898
   67   2HB   PRO  11          1HB       PRO  11  -1.662   9.635   2.783
   68   1HG   PRO  11          2HG       PRO  11  -4.355  10.865   2.334
   69   2HG   PRO  11          1HG       PRO  11  -2.943  10.847   1.265
   70   1HD   PRO  11          2HD       PRO  11  -5.021   9.172   0.915
   71   2HD   PRO  11          1HD       PRO  11  -3.352   8.690   0.549
   72    H    TRP  12           H        TRP  12  -5.430   9.974   3.734
   73    HA   TRP  12           HA       TRP  12  -5.553  10.079   6.611
   74   1HB   TRP  12          2HB       TRP  12  -7.472  11.171   4.544
   75   2HB   TRP  12          1HB       TRP  12  -7.533  11.507   6.270
   76    HD1  TRP  12           HD       TRP  12  -5.404  12.948   7.278
   77    HE1  TRP  12           1HE      TRP  12  -4.009  14.793   6.152
   78    HE3  TRP  12           3HE      TRP  12  -6.560  11.976   2.392
   79    HZ2  TRP  12           2HZ      TRP  12  -3.473  15.720   3.542
   80    HZ3  TRP  12           3HZ      TRP  12  -5.568  13.393   0.642
   81    HH2  TRP  12           HH       TRP  12  -4.056  15.227   1.207
   82    H    SER  13           H        SER  13  -7.704   8.862   4.049
   83    HA   SER  13           HA       SER  13  -8.426   6.540   5.471
   84   1HB   SER  13          2HB       SER  13  -9.634   8.319   6.829
   85   2HB   SER  13          1HB       SER  13 -10.623   8.621   5.401
   86    HG   SER  13           HG       SER  13 -10.624   6.467   7.149
   87    H    GLY  14           H        GLY  14  -9.721   5.167   4.239
   88   1HA   GLY  14          2HA       GLY  14 -11.291   5.747   2.057
   89   2HA   GLY  14          1HA       GLY  14  -9.651   5.626   1.427
   90    H    ASP  15           H        ASP  15 -10.178   3.752   0.229
   91    HA   ASP  15           HA       ASP  15 -11.240   1.428   1.503
   92   1HB   ASP  15          2HB       ASP  15 -10.023   1.945  -1.177
   93   2HB   ASP  15          1HB       ASP  15 -10.251   0.294  -0.637
   94    H    SER  16           H        SER  16 -10.232  -0.349   2.210
   95    HA   SER  16           HA       SER  16  -7.466  -0.039   3.002
   96   1HB   SER  16          2HB       SER  16  -9.381  -2.313   3.569
   97   2HB   SER  16          1HB       SER  16  -7.849  -2.001   4.382
   98    HG   SER  16           HG       SER  16  -9.484   0.169   4.430
   99    H    CYS  17           H        CYS  17  -5.859  -1.674   2.560
  100    HA   CYS  17           HA       CYS  17  -5.849  -2.508  -0.152
  101   1HB   CYS  17          2HB       CYS  17  -4.041  -3.501   2.064
  102   2HB   CYS  17          1HB       CYS  17  -3.704  -3.501   0.338
  103    H    CYS  18           H        CYS  18  -6.226  -4.508  -1.046
  104    HA   CYS  18           HA       CYS  18  -7.962  -6.313   0.242
  105   1HB   CYS  18          2HB       CYS  18  -6.212  -6.788  -2.185
  106   2HB   CYS  18          1HB       CYS  18  -7.566  -7.790  -1.692
  107    H    LYS  19           H        LYS  19  -7.607  -8.366   1.043
  108    HA   LYS  19           HA       LYS  19  -5.066  -8.689   2.324
  109   1HB   LYS  19          2HB       LYS  19  -6.044 -10.520   3.490
  110   2HB   LYS  19          1HB       LYS  19  -7.238  -9.247   3.428
  111   1HG   LYS  19          2HG       LYS  19  -7.218 -11.560   1.507
  112   2HG   LYS  19          1HG       LYS  19  -8.073 -11.598   3.046
  113   1HD   LYS  19          2HD       LYS  19  -9.457  -9.737   2.372
  114   2HD   LYS  19          1HD       LYS  19  -8.533  -9.550   0.879
  115   1HE   LYS  19          2HE       LYS  19 -10.648 -10.710   0.479
  116   2HE   LYS  19          1HE       LYS  19  -9.267 -11.750   0.134
  117   1HZ   LYS  19          1HZ       LYS  19  -9.814 -13.155   1.776
  118   2HZ   LYS  19          2HZ       LYS  19 -11.354 -12.471   1.643
  119   3HZ   LYS  19          3HZ       LYS  19 -10.289 -11.926   2.838
  120    HA   PRO  20           HA       PRO  20  -3.950  -9.944   3.139
  121   1HB   PRO  20          2HB       PRO  20  -1.714 -11.393   3.308
  122   2HB   PRO  20          1HB       PRO  20  -3.304 -12.165   3.350
  123   1HG   PRO  20          2HG       PRO  20  -1.276 -12.158   1.201
  124   2HG   PRO  20          1HG       PRO  20  -2.575 -13.318   1.515
  125   1HD   PRO  20          2HD       PRO  20  -2.552 -11.087  -0.338
  126   2HD   PRO  20          1HD       PRO  20  -3.804 -12.328  -0.115
  127    H    TYR  21           H        TYR  21  -3.287  -8.294   0.699
  128    HA   TYR  21           HA       TYR  21  -0.492  -7.684   0.842
  129   1HB   TYR  21          2HB       TYR  21  -2.668  -5.954  -0.369
  130   2HB   TYR  21          1HB       TYR  21  -0.946  -5.912  -0.729
  131    HD1  TYR  21           1HD      TYR  21  -4.107  -7.445  -1.517
  132    HD2  TYR  21           2HD      TYR  21   0.105  -7.900  -1.879
  133    HE1  TYR  21           1HE      TYR  21  -4.445  -9.100  -3.302
  134    HE2  TYR  21           2HE      TYR  21  -0.220  -9.552  -3.671
  135    HH   TYR  21           HH       TYR  21  -2.099 -10.056  -5.410
  136    H    LEU  22           H        LEU  22   0.104  -5.249   1.108
  137    HA   LEU  22           HA       LEU  22  -1.280  -3.948   3.311
  138   1HB   LEU  22          2HB       LEU  22   0.197  -5.586   4.405
  139   2HB   LEU  22          1HB       LEU  22   1.570  -4.928   3.539
  140    HG   LEU  22           HG       LEU  22   1.177  -2.750   4.724
  141   1HD1  LEU  22          1HD1      LEU  22  -0.622  -4.371   6.508
  142   2HD1  LEU  22          2HD1      LEU  22  -1.219  -3.274   5.264
  143   3HD1  LEU  22          3HD1      LEU  22  -0.263  -2.647   6.608
  144   1HD2  LEU  22          1HD2      LEU  22   1.924  -3.735   6.996
  145   2HD2  LEU  22          2HD2      LEU  22   2.945  -3.982   5.579
  146   3HD2  LEU  22          3HD2      LEU  22   1.898  -5.281   6.148
  147    H    CYS  23           H        CYS  23  -0.843  -1.730   3.383
  148    HA   CYS  23           HA       CYS  23   0.403  -0.657   1.040
  149   1HB   CYS  23          2HB       CYS  23  -1.612   0.373   2.146
  150   2HB   CYS  23          1HB       CYS  23  -0.537   0.924   3.430
  151    H    SER  24           H        SER  24   2.467  -0.542   0.816
  152    HA   SER  24           HA       SER  24   4.179  -0.081   3.151
  153   1HB   SER  24          2HB       SER  24   6.009  -0.853   1.640
  154   2HB   SER  24          1HB       SER  24   4.735  -2.057   1.826
  155    HG   SER  24           HG       SER  24   4.263  -0.345  -0.244
  156    H    CYS  25           H        CYS  25   5.426   1.755   3.279
  157    HA   CYS  25           HA       CYS  25   5.322   3.588   0.986
  158   1HB   CYS  25          2HB       CYS  25   3.773   4.069   3.079
  159   2HB   CYS  25          1HB       CYS  25   5.269   4.699   3.761
  160    H    ILE  26           H        ILE  26   7.412   2.487   0.675
  161    HA   ILE  26           HA       ILE  26   9.532   3.286   2.497
  162    HB   ILE  26           HB       ILE  26  11.022   1.961   0.981
  163   1HG1  ILE  26          2HG1      ILE  26   9.325   2.165  -0.980
  164   2HG1  ILE  26          1HG1      ILE  26  10.232   0.672  -0.790
  165   1HG2  ILE  26          1HG2      ILE  26  10.466   0.799   2.869
  166   2HG2  ILE  26          2HG2      ILE  26   9.827  -0.276   1.625
  167   3HG2  ILE  26          3HG2      ILE  26   8.741   0.804   2.499
  168   1HD1  ILE  26          1HD1      ILE  26   7.373   1.162   0.014
  169   2HD1  ILE  26          2HD1      ILE  26   8.269  -0.322   0.336
  170   3HD1  ILE  26          3HD1      ILE  26   7.947   0.171  -1.326
  171    H    PHE  27           H        PHE  27  11.652   3.593   0.813
  172    HA   PHE  27           HA       PHE  27  11.313   6.306  -0.002
  173   1HB   PHE  27          2HB       PHE  27  13.635   4.397  -0.213
  174   2HB   PHE  27          1HB       PHE  27  13.718   6.073  -0.739
  175    HD1  PHE  27           1HD      PHE  27  14.796   7.464   0.707
  176    HD2  PHE  27           2HD      PHE  27  12.523   4.242   2.307
  177    HE1  PHE  27           1HE      PHE  27  15.433   8.150   2.981
  178    HE2  PHE  27           2HE      PHE  27  13.152   4.925   4.585
  179    HZ   PHE  27           HZ       PHE  27  14.609   6.881   4.925
  180    H    PHE  28           H        PHE  28  12.203   3.358  -1.784
  181    HA   PHE  28           HA       PHE  28  12.174   4.623  -4.319
  182   1HB   PHE  28          2HB       PHE  28  12.202   1.727  -3.490
  183   2HB   PHE  28          1HB       PHE  28  12.189   2.220  -5.178
  184    HD1  PHE  28           1HD      PHE  28  14.061   3.225  -2.093
  185    HD2  PHE  28           2HD      PHE  28  14.225   2.107  -6.196
  186    HE1  PHE  28           1HE      PHE  28  16.509   3.455  -2.054
  187    HE2  PHE  28           2HE      PHE  28  16.673   2.333  -6.164
  188    HZ   PHE  28           HZ       PHE  28  17.819   3.008  -4.090
  189    H    TYR  29           H        TYR  29   9.706   3.138  -2.410
  190    HA   TYR  29           HA       TYR  29   7.812   3.594  -4.615
  191   1HB   TYR  29          2HB       TYR  29   7.841   1.256  -2.698
  192   2HB   TYR  29          1HB       TYR  29   6.464   1.667  -3.710
  193    HD1  TYR  29           1HD      TYR  29   6.268   0.704  -5.796
  194    HD2  TYR  29           2HD      TYR  29  10.102   0.838  -3.961
  195    HE1  TYR  29           1HE      TYR  29   7.177  -0.684  -7.609
  196    HE2  TYR  29           2HE      TYR  29  11.025  -0.543  -5.775
  197    HH   TYR  29           HH       TYR  29  10.557  -1.188  -8.021
  198    HA   PRO  30           HA       PRO  30   5.888   6.171  -1.541
  199   1HB   PRO  30          2HB       PRO  30   3.601   6.681  -2.926
  200   2HB   PRO  30          1HB       PRO  30   5.140   7.472  -3.284
  201   1HG   PRO  30          2HG       PRO  30   3.844   5.144  -4.647
  202   2HG   PRO  30          1HG       PRO  30   4.678   6.537  -5.361
  203   1HD   PRO  30          2HD       PRO  30   5.860   4.120  -5.088
  204   2HD   PRO  30          1HD       PRO  30   6.768   5.641  -4.981
  205    H    CYS  31           H        CYS  31   3.537   6.304  -0.619
  206    HA   CYS  31           HA       CYS  31   2.959   3.923   0.707
  207   1HB   CYS  31          2HB       CYS  31   1.224   6.352   0.227
  208   2HB   CYS  31          1HB       CYS  31   0.787   5.044   1.314
  209    H    SER  32           H        SER  32   2.644   2.181  -0.623
  210    HA   SER  32           HA       SER  32   0.091   2.098  -2.038
  211   1HB   SER  32          2HB       SER  32   1.322   0.893  -3.939
  212   2HB   SER  32          1HB       SER  32   1.511   2.644  -3.845
  213    HG   SER  32           HG       SER  32   3.499   2.268  -2.719
  214    H    CYS  33           H        CYS  33  -0.875   0.111  -2.064
  215    HA   CYS  33           HA       CYS  33   0.040  -1.786  -0.147
  216   1HB   CYS  33          2HB       CYS  33  -2.084  -2.401  -2.182
  217   2HB   CYS  33          1HB       CYS  33  -1.938  -2.972  -0.531
  218    H    ARG  34           H        ARG  34   1.250  -3.460  -0.409
  219    HA   ARG  34           HA       ARG  34   1.753  -4.603  -3.067
  220   1HB   ARG  34          2HB       ARG  34   3.977  -4.074  -1.071
  221   2HB   ARG  34          1HB       ARG  34   4.130  -4.600  -2.739
  222   1HG   ARG  34          2HG       ARG  34   2.979  -1.921  -2.068
  223   2HG   ARG  34          1HG       ARG  34   4.720  -2.178  -2.150
  224   1HD   ARG  34          2HD       ARG  34   4.579  -2.837  -4.448
  225   2HD   ARG  34          1HD       ARG  34   2.815  -2.841  -4.388
  226    HE   ARG  34           HE       ARG  34   3.508  -0.291  -3.690
  227   1HH1  ARG  34          1HH1      ARG  34   4.277  -2.322  -6.439
  228   2HH1  ARG  34          2HH1      ARG  34   4.311  -1.003  -7.562
  229   1HH2  ARG  34          1HH2      ARG  34   3.536   1.436  -5.146
  230   2HH2  ARG  34          2HH2      ARG  34   3.882   1.150  -6.825
  231    HA   PRO  35           HA       PRO  35   1.335  -8.529  -1.061
  232   1HB   PRO  35          2HB       PRO  35   4.188  -9.162  -1.603
  233   2HB   PRO  35          1HB       PRO  35   2.734 -10.084  -1.999
  234   1HG   PRO  35          2HG       PRO  35   4.108  -8.696  -3.858
  235   2HG   PRO  35          1HG       PRO  35   2.351  -8.909  -3.934
  236   1HD   PRO  35          2HD       PRO  35   3.932  -6.500  -3.250
  237   2HD   PRO  35          1HD       PRO  35   2.298  -6.631  -3.924
  238    H    LYS  36           H        LYS  36   1.552  -9.264   1.026
  239    HA   LYS  36           HA       LYS  36   3.109  -7.653   2.809
  240   1HB   LYS  36          2HB       LYS  36   0.809  -8.583   3.293
  241   2HB   LYS  36          1HB       LYS  36   1.565 -10.158   3.472
  242   1HG   LYS  36          2HG       LYS  36   2.725  -9.505   5.402
  243   2HG   LYS  36          1HG       LYS  36   2.429  -7.790   5.099
  244   1HD   LYS  36          2HD       LYS  36   0.305  -9.836   5.752
  245   2HD   LYS  36          1HD       LYS  36   0.998  -8.686   6.900
  246   1HE   LYS  36          2HE       LYS  36   0.123  -6.829   5.665
  247   2HE   LYS  36          1HE       LYS  36  -0.392  -7.881   4.349
  248   1HZ   LYS  36          1HZ       LYS  36  -1.548  -7.633   7.058
  249   2HZ   LYS  36          2HZ       LYS  36  -1.854  -8.982   6.084
  250   3HZ   LYS  36          3HZ       LYS  36  -2.312  -7.440   5.560
  251    H    GLY  37           H        GLY  37   5.110  -8.021   3.407
  252   1HA   GLY  37          2HA       GLY  37   6.982  -9.238   4.103
  253   2HA   GLY  37          1HA       GLY  37   6.148 -10.726   3.658
  254    H    TRP  38           H        TRP  38   6.732  -7.822   1.768
  255    HA   TRP  38           HA       TRP  38   7.643  -9.340  -0.482
  256   1HB   TRP  38          2HB       TRP  38   7.597  -7.270  -1.669
  257   2HB   TRP  38          1HB       TRP  38   6.213  -7.242  -0.585
  258    HD1  TRP  38           HD       TRP  38   9.358  -5.387  -1.434
  259    HE1  TRP  38           1HE      TRP  38   9.599  -3.316   0.065
  260    HE3  TRP  38           3HE      TRP  38   5.636  -6.372   1.929
  261    HZ2  TRP  38           2HZ      TRP  38   8.379  -2.239   2.369
  262    HZ3  TRP  38           3HZ      TRP  38   5.240  -4.773   3.752
  263    HH2  TRP  38           HH       TRP  38   6.584  -2.747   3.966
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1 -14.464  -0.977   0.833
    2   2H    LYS   1          2HT       LYS   1 -15.143  -0.095  -0.438
    3   3H    LYS   1          3HT       LYS   1 -13.667   0.396   0.242
    4    HA   LYS   1           HA       LYS   1 -14.067  -2.174  -1.198
    5   1HB   LYS   1          2HB       LYS   1 -12.652   0.341  -2.099
    6   2HB   LYS   1          1HB       LYS   1 -12.866  -1.133  -3.029
    7   1HG   LYS   1          2HG       LYS   1 -15.194   0.516  -2.106
    8   2HG   LYS   1          1HG       LYS   1 -14.340   0.846  -3.614
    9   1HD   LYS   1          2HD       LYS   1 -14.788  -1.518  -4.292
   10   2HD   LYS   1          1HD       LYS   1 -15.796  -1.682  -2.852
   11   1HE   LYS   1          2HE       LYS   1 -17.144  -1.184  -4.831
   12   2HE   LYS   1          1HE       LYS   1 -17.241   0.115  -3.644
   13   1HZ   LYS   1          1HZ       LYS   1 -16.974   1.122  -5.749
   14   2HZ   LYS   1          2HZ       LYS   1 -15.701   0.094  -6.180
   15   3HZ   LYS   1          3HZ       LYS   1 -15.472   1.264  -4.978
   16    H    CYS   2           H        CYS   2 -11.462  -1.977  -2.237
   17    HA   CYS   2           HA       CYS   2  -9.645  -1.594  -0.100
   18   1HB   CYS   2          2HB       CYS   2  -8.825  -3.852   0.151
   19   2HB   CYS   2          1HB       CYS   2 -10.525  -3.783   0.556
   20    H    LEU   3           H        LEU   3  -7.510  -1.751  -0.697
   21    HA   LEU   3           HA       LEU   3  -7.080  -1.219  -3.512
   22   1HB   LEU   3          2HB       LEU   3  -5.198  -1.135  -1.158
   23   2HB   LEU   3          1HB       LEU   3  -4.851  -0.531  -2.761
   24    HG   LEU   3           HG       LEU   3  -6.973   0.542  -0.908
   25   1HD1  LEU   3          1HD1      LEU   3  -4.939   1.234  -0.011
   26   2HD1  LEU   3          2HD1      LEU   3  -5.443   2.585  -1.026
   27   3HD1  LEU   3          3HD1      LEU   3  -4.209   1.464  -1.601
   28   1HD2  LEU   3          1HD2      LEU   3  -7.600   0.761  -3.260
   29   2HD2  LEU   3          2HD2      LEU   3  -6.054   1.537  -3.604
   30   3HD2  LEU   3          3HD2      LEU   3  -7.224   2.330  -2.550
   31    H    ALA   4           H        ALA   4  -6.429  -2.731  -4.910
   32    HA   ALA   4           HA       ALA   4  -5.672  -5.343  -4.001
   33   1HB   ALA   4          1HB       ALA   4  -5.250  -5.163  -6.772
   34   2HB   ALA   4          2HB       ALA   4  -6.664  -4.174  -6.412
   35   3HB   ALA   4          3HB       ALA   4  -6.628  -5.868  -5.926
   36    H    GLU   5           H        GLU   5  -3.907  -6.125  -5.998
   37    HA   GLU   5           HA       GLU   5  -1.441  -5.553  -4.800
   38   1HB   GLU   5          2HB       GLU   5  -0.468  -6.783  -6.760
   39   2HB   GLU   5          1HB       GLU   5  -1.701  -7.659  -5.870
   40   1HG   GLU   5          2HG       GLU   5  -2.376  -6.117  -8.348
   41   2HG   GLU   5          1HG       GLU   5  -1.722  -7.750  -8.433
   42    H    ALA   6           H        ALA   6  -0.072  -4.016  -5.039
   43    HA   ALA   6           HA       ALA   6   1.057  -2.199  -5.766
   44   1HB   ALA   6          1HB       ALA   6   0.355  -3.533  -8.328
   45   2HB   ALA   6          2HB       ALA   6   1.936  -3.184  -7.628
   46   3HB   ALA   6          3HB       ALA   6   1.001  -1.893  -8.385
   47    H    ALA   7           H        ALA   7  -1.415  -1.691  -4.753
   48    HA   ALA   7           HA       ALA   7  -2.474   0.386  -6.563
   49   1HB   ALA   7          1HB       ALA   7  -4.592   0.087  -5.709
   50   2HB   ALA   7          2HB       ALA   7  -3.999  -0.571  -4.184
   51   3HB   ALA   7          3HB       ALA   7  -3.956  -1.557  -5.647
   52    H    ASP   8           H        ASP   8  -1.874   2.391  -6.064
   53    HA   ASP   8           HA       ASP   8  -0.477   3.114  -3.780
   54   1HB   ASP   8          2HB       ASP   8  -1.986   4.778  -5.781
   55   2HB   ASP   8          1HB       ASP   8  -1.085   5.501  -4.450
   56    H    CYS   9           H        CYS   9  -0.949   3.744  -1.830
   57    HA   CYS   9           HA       CYS   9  -3.670   3.510  -0.908
   58   1HB   CYS   9          2HB       CYS   9  -1.387   4.364   0.829
   59   2HB   CYS   9          1HB       CYS   9  -2.775   3.357   1.229
   60    H    SER  10           H        SER  10  -4.743   5.093   0.369
   61    HA   SER  10           HA       SER  10  -4.458   7.753  -0.687
   62   1HB   SER  10          2HB       SER  10  -6.312   6.797   1.502
   63   2HB   SER  10          1HB       SER  10  -6.505   8.224   0.482
   64    HG   SER  10           HG       SER  10  -6.261   6.201  -1.159
   65    HA   PRO  11           HA       PRO  11  -1.635   9.148   2.430
   66   1HB   PRO  11          2HB       PRO  11  -2.060  11.838   2.088
   67   2HB   PRO  11          1HB       PRO  11  -1.029  10.851   1.045
   68   1HG   PRO  11          2HG       PRO  11  -3.863  11.724   0.632
   69   2HG   PRO  11          1HG       PRO  11  -2.530  11.671  -0.532
   70   1HD   PRO  11          2HD       PRO  11  -4.422   9.777  -0.486
   71   2HD   PRO  11          1HD       PRO  11  -2.728   9.387  -0.852
   72    H    TRP  12           H        TRP  12  -4.652  11.093   2.353
   73    HA   TRP  12           HA       TRP  12  -4.484  11.525   5.190
   74   1HB   TRP  12          2HB       TRP  12  -6.687  12.234   3.243
   75   2HB   TRP  12          1HB       TRP  12  -6.599  12.770   4.918
   76    HD1  TRP  12           HD       TRP  12  -4.561  14.503   5.521
   77    HE1  TRP  12           1HE      TRP  12  -3.406  16.268   4.046
   78    HE3  TRP  12           3HE      TRP  12  -5.982  12.775   0.923
   79    HZ2  TRP  12           2HZ      TRP  12  -3.142  16.857   1.298
   80    HZ3  TRP  12           3HZ      TRP  12  -5.241  14.001  -1.078
   81    HH2  TRP  12           HH       TRP  12  -3.850  16.000  -0.893
   82    H    SER  13           H        SER  13  -6.801   9.867   3.060
   83    HA   SER  13           HA       SER  13  -7.192   7.700   4.813
   84   1HB   SER  13          2HB       SER  13  -9.642   8.262   5.347
   85   2HB   SER  13          1HB       SER  13  -8.408   9.104   6.283
   86    HG   SER  13           HG       SER  13  -8.736  10.923   5.068
   87    H    GLY  14           H        GLY  14  -8.548   6.106   3.922
   88   1HA   GLY  14          2HA       GLY  14 -10.286   6.461   1.756
   89   2HA   GLY  14          1HA       GLY  14  -8.694   6.065   1.119
   90    H    ASP  15           H        ASP  15  -9.428   4.073   0.303
   91    HA   ASP  15           HA       ASP  15 -10.588   2.132   2.083
   92   1HB   ASP  15          2HB       ASP  15  -9.780   2.098  -0.797
   93   2HB   ASP  15          1HB       ASP  15 -10.085   0.584   0.037
   94    H    SER  16           H        SER  16  -9.678   0.246   2.784
   95    HA   SER  16           HA       SER  16  -6.838   0.374   3.303
   96   1HB   SER  16          2HB       SER  16  -8.843  -1.732   4.145
   97   2HB   SER  16          1HB       SER  16  -7.239  -1.466   4.831
   98    HG   SER  16           HG       SER  16  -8.752   0.794   4.856
   99    H    CYS  17           H        CYS  17  -5.407  -1.446   2.866
  100    HA   CYS  17           HA       CYS  17  -5.568  -2.357   0.203
  101   1HB   CYS  17          2HB       CYS  17  -3.882  -3.522   2.433
  102   2HB   CYS  17          1HB       CYS  17  -3.584  -3.660   0.705
  103    H    CYS  18           H        CYS  18  -6.160  -4.325  -0.663
  104    HA   CYS  18           HA       CYS  18  -8.082  -5.911   0.681
  105   1HB   CYS  18          2HB       CYS  18  -6.446  -6.641  -1.765
  106   2HB   CYS  18          1HB       CYS  18  -7.933  -7.415  -1.246
  107    H    LYS  19           H        LYS  19  -7.890  -8.004   1.491
  108    HA   LYS  19           HA       LYS  19  -5.340  -8.515   2.691
  109   1HB   LYS  19          2HB       LYS  19  -6.414 -10.270   3.898
  110   2HB   LYS  19          1HB       LYS  19  -7.483  -8.893   3.896
  111   1HG   LYS  19          2HG       LYS  19  -7.779 -11.179   1.969
  112   2HG   LYS  19          1HG       LYS  19  -8.546 -11.162   3.556
  113   1HD   LYS  19          2HD       LYS  19  -9.793  -9.174   2.972
  114   2HD   LYS  19          1HD       LYS  19  -8.945  -9.057   1.429
  115   1HE   LYS  19          2HE       LYS  19 -11.178 -10.020   1.155
  116   2HE   LYS  19          1HE       LYS  19  -9.918 -11.169   0.713
  117   1HZ   LYS  19          1HZ       LYS  19 -10.835 -11.268   3.472
  118   2HZ   LYS  19          2HZ       LYS  19 -10.436 -12.529   2.417
  119   3HZ   LYS  19          3HZ       LYS  19 -11.947 -11.777   2.303
  120    HA   PRO  20           HA       PRO  20  -4.220  -9.731   3.423
  121   1HB   PRO  20          2HB       PRO  20  -2.120 -11.374   3.540
  122   2HB   PRO  20          1HB       PRO  20  -3.767 -11.999   3.692
  123   1HG   PRO  20          2HG       PRO  20  -1.862 -12.272   1.455
  124   2HG   PRO  20          1HG       PRO  20  -3.265 -13.272   1.862
  125   1HD   PRO  20          2HD       PRO  20  -3.077 -11.074  -0.043
  126   2HD   PRO  20          1HD       PRO  20  -4.418 -12.211   0.214
  127    H    TYR  21           H        TYR  21  -3.607  -8.126   1.004
  128    HA   TYR  21           HA       TYR  21  -0.763  -7.844   0.804
  129   1HB   TYR  21          2HB       TYR  21  -2.898  -5.868  -0.074
  130   2HB   TYR  21          1HB       TYR  21  -1.207  -5.859  -0.549
  131    HD1  TYR  21           1HD      TYR  21  -0.428  -7.172  -2.340
  132    HD2  TYR  21           2HD      TYR  21  -4.364  -7.780  -0.848
  133    HE1  TYR  21           1HE      TYR  21  -0.938  -8.594  -4.278
  134    HE2  TYR  21           2HE      TYR  21  -4.884  -9.206  -2.780
  135    HH   TYR  21           HH       TYR  21  -3.604  -9.229  -5.443
  136    H    LEU  22           H        LEU  22   0.049  -5.425   0.984
  137    HA   LEU  22           HA       LEU  22  -0.813  -4.133   3.437
  138   1HB   LEU  22          2HB       LEU  22   0.730  -5.875   4.219
  139   2HB   LEU  22          1HB       LEU  22   1.959  -5.294   3.114
  140    HG   LEU  22           HG       LEU  22   1.999  -3.139   4.362
  141   1HD1  LEU  22          1HD1      LEU  22   0.096  -4.610   6.174
  142   2HD1  LEU  22          2HD1      LEU  22  -0.185  -3.092   5.320
  143   3HD1  LEU  22          3HD1      LEU  22   0.980  -3.157   6.642
  144   1HD2  LEU  22          1HD2      LEU  22   2.491  -5.496   6.168
  145   2HD2  LEU  22          2HD2      LEU  22   3.329  -3.944   6.156
  146   3HD2  LEU  22          3HD2      LEU  22   3.541  -5.072   4.817
  147    H    CYS  23           H        CYS  23  -0.342  -1.972   3.418
  148    HA   CYS  23           HA       CYS  23   0.465  -0.827   0.946
  149   1HB   CYS  23          2HB       CYS  23  -1.205   0.228   2.420
  150   2HB   CYS  23          1HB       CYS  23   0.046   0.513   3.624
  151    H    SER  24           H        SER  24   2.500  -0.778   0.280
  152    HA   SER  24           HA       SER  24   4.666  -0.691   2.208
  153   1HB   SER  24          2HB       SER  24   6.145  -0.882   0.217
  154   2HB   SER  24          1HB       SER  24   4.941  -2.162   0.287
  155    HG   SER  24           HG       SER  24   3.716  -0.489  -1.115
  156    H    CYS  25           H        CYS  25   5.041   1.200   3.076
  157    HA   CYS  25           HA       CYS  25   4.977   3.598   1.366
  158   1HB   CYS  25          2HB       CYS  25   3.277   3.217   3.342
  159   2HB   CYS  25          1HB       CYS  25   4.631   3.708   4.346
  160    H    ILE  26           H        ILE  26   7.288   2.479   1.124
  161    HA   ILE  26           HA       ILE  26   9.062   3.303   3.275
  162    HB   ILE  26           HB       ILE  26  10.881   2.280   1.880
  163   1HG1  ILE  26          2HG1      ILE  26   8.710   0.919   0.319
  164   2HG1  ILE  26          1HG1      ILE  26   9.404   2.438  -0.258
  165   1HG2  ILE  26          1HG2      ILE  26   8.757   1.009   3.351
  166   2HG2  ILE  26          2HG2      ILE  26  10.486   0.662   3.345
  167   3HG2  ILE  26          3HG2      ILE  26   9.432  -0.087   2.143
  168   1HD1  ILE  26          1HD1      ILE  26  10.476  -0.251  -0.337
  169   2HD1  ILE  26          2HD1      ILE  26  11.611   0.904   0.362
  170   3HD1  ILE  26          3HD1      ILE  26  10.949   1.184  -1.248
  171    H    PHE  27           H        PHE  27  11.344   3.982   2.033
  172    HA   PHE  27           HA       PHE  27  10.944   6.709   1.510
  173   1HB   PHE  27          2HB       PHE  27  13.389   4.989   1.111
  174   2HB   PHE  27          1HB       PHE  27  13.384   6.742   0.999
  175    HD1  PHE  27           1HD      PHE  27  14.065   7.912   2.838
  176    HD2  PHE  27           2HD      PHE  27  12.311   4.075   3.396
  177    HE1  PHE  27           1HE      PHE  27  14.491   8.072   5.255
  178    HE2  PHE  27           2HE      PHE  27  12.729   4.231   5.814
  179    HZ   PHE  27           HZ       PHE  27  13.821   6.231   6.747
  180    H    PHE  28           H        PHE  28  12.875   4.747  -0.707
  181    HA   PHE  28           HA       PHE  28  12.086   6.411  -2.893
  182   1HB   PHE  28          2HB       PHE  28  13.619   4.731  -4.172
  183   2HB   PHE  28          1HB       PHE  28  14.314   5.887  -3.043
  184    HD1  PHE  28           1HD      PHE  28  16.056   5.031  -1.856
  185    HD2  PHE  28           2HD      PHE  28  12.761   2.489  -2.746
  186    HE1  PHE  28           1HE      PHE  28  17.147   3.195  -0.637
  187    HE2  PHE  28           2HE      PHE  28  13.846   0.651  -1.527
  188    HZ   PHE  28           HZ       PHE  28  16.042   1.002  -0.469
  189    H    TYR  29           H        TYR  29   9.873   4.912  -1.917
  190    HA   TYR  29           HA       TYR  29   9.047   3.752  -4.448
  191   1HB   TYR  29          2HB       TYR  29   9.340   2.136  -1.965
  192   2HB   TYR  29          1HB       TYR  29   7.893   1.873  -2.927
  193    HD1  TYR  29           1HD      TYR  29   7.974   0.668  -4.960
  194    HD2  TYR  29           2HD      TYR  29  11.593   1.703  -2.978
  195    HE1  TYR  29           1HE      TYR  29   9.212  -0.863  -6.431
  196    HE2  TYR  29           2HE      TYR  29  12.841   0.181  -4.449
  197    HH   TYR  29           HH       TYR  29  12.696  -0.975  -6.455
  198    HA   PRO  30           HA       PRO  30   5.482   6.140  -3.362
  199   1HB   PRO  30          2HB       PRO  30   4.078   4.389  -5.287
  200   2HB   PRO  30          1HB       PRO  30   4.262   6.144  -5.297
  201   1HG   PRO  30          2HG       PRO  30   5.592   4.589  -7.027
  202   2HG   PRO  30          1HG       PRO  30   6.318   6.056  -6.346
  203   1HD   PRO  30          2HD       PRO  30   6.788   3.194  -5.619
  204   2HD   PRO  30          1HD       PRO  30   7.946   4.536  -5.725
  205    H    CYS  31           H        CYS  31   4.102   5.855  -1.735
  206    HA   CYS  31           HA       CYS  31   3.776   3.392  -0.455
  207   1HB   CYS  31          2HB       CYS  31   2.118   5.901  -0.173
  208   2HB   CYS  31          1HB       CYS  31   2.141   4.549   0.959
  209    H    SER  32           H        SER  32   2.922   1.783  -1.540
  210    HA   SER  32           HA       SER  32   0.109   1.970  -2.269
  211   1HB   SER  32          2HB       SER  32   0.742   0.651  -4.411
  212   2HB   SER  32          1HB       SER  32   1.043   2.389  -4.395
  213    HG   SER  32           HG       SER  32   3.218   1.922  -3.816
  214    H    CYS  33           H        CYS  33  -0.980  -0.033  -2.200
  215    HA   CYS  33           HA       CYS  33   0.108  -1.909  -0.380
  216   1HB   CYS  33          2HB       CYS  33  -2.259  -2.427  -2.174
  217   2HB   CYS  33          1HB       CYS  33  -1.910  -3.130  -0.608
  218    H    ARG  34           H        ARG  34   1.250  -3.611  -0.668
  219    HA   ARG  34           HA       ARG  34   1.513  -4.860  -3.323
  220   1HB   ARG  34          2HB       ARG  34   3.788  -4.402  -1.368
  221   2HB   ARG  34          1HB       ARG  34   3.916  -5.089  -2.970
  222   1HG   ARG  34          2HG       ARG  34   3.133  -2.259  -2.370
  223   2HG   ARG  34          1HG       ARG  34   4.744  -2.795  -2.840
  224   1HD   ARG  34          2HD       ARG  34   3.867  -3.585  -4.973
  225   2HD   ARG  34          1HD       ARG  34   2.242  -3.085  -4.499
  226    HE   ARG  34           HE       ARG  34   2.779  -0.931  -5.038
  227   1HH1  ARG  34          1HH1      ARG  34   5.756  -2.766  -4.781
  228   2HH1  ARG  34          2HH1      ARG  34   6.760  -1.447  -5.277
  229   1HH2  ARG  34          1HH2      ARG  34   4.087   0.805  -5.678
  230   2HH2  ARG  34          2HH2      ARG  34   5.805   0.597  -5.794
  231    HA   PRO  35           HA       PRO  35   0.920  -8.688  -1.157
  232   1HB   PRO  35          2HB       PRO  35   3.310 -10.084  -1.588
  233   2HB   PRO  35          1HB       PRO  35   1.876 -10.138  -2.614
  234   1HG   PRO  35          2HG       PRO  35   4.401  -8.626  -2.970
  235   2HG   PRO  35          1HG       PRO  35   3.292  -9.273  -4.190
  236   1HD   PRO  35          2HD       PRO  35   3.448  -6.642  -3.578
  237   2HD   PRO  35          1HD       PRO  35   1.956  -7.398  -4.139
  238    H    LYS  36           H        LYS  36   1.389  -9.647   0.864
  239    HA   LYS  36           HA       LYS  36   2.944  -7.964   2.575
  240   1HB   LYS  36          2HB       LYS  36   0.759  -9.085   3.180
  241   2HB   LYS  36          1HB       LYS  36   1.652 -10.594   3.287
  242   1HG   LYS  36          2HG       LYS  36   2.730  -9.985   5.212
  243   2HG   LYS  36          1HG       LYS  36   2.603  -8.257   4.866
  244   1HD   LYS  36          2HD       LYS  36   0.286 -10.047   5.608
  245   2HD   LYS  36          1HD       LYS  36   1.136  -8.978   6.728
  246   1HE   LYS  36          2HE       LYS  36   0.447  -7.041   5.516
  247   2HE   LYS  36          1HE       LYS  36  -0.191  -8.021   4.199
  248   1HZ   LYS  36          1HZ       LYS  36  -1.319  -7.550   6.873
  249   2HZ   LYS  36          2HZ       LYS  36  -1.706  -8.972   6.041
  250   3HZ   LYS  36          3HZ       LYS  36  -2.072  -7.466   5.358
  251    H    GLY  37           H        GLY  37   5.028  -8.127   2.865
  252   1HA   GLY  37          2HA       GLY  37   6.949  -9.331   3.631
  253   2HA   GLY  37          1HA       GLY  37   6.290 -10.780   2.878
  254    H    TRP  38           H        TRP  38   6.757  -7.496   1.621
  255    HA   TRP  38           HA       TRP  38   8.080  -8.622  -0.716
  256   1HB   TRP  38          2HB       TRP  38   7.514  -6.670  -1.870
  257   2HB   TRP  38          1HB       TRP  38   6.149  -6.880  -0.785
  258    HD1  TRP  38           HD       TRP  38   6.752  -5.401   1.747
  259    HE1  TRP  38           1HE      TRP  38   7.388  -2.921   1.843
  260    HE3  TRP  38           3HE      TRP  38   8.351  -4.785  -3.061
  261    HZ2  TRP  38           2HZ      TRP  38   8.418  -0.949   0.108
  262    HZ3  TRP  38           3HZ      TRP  38   9.143  -2.569  -3.768
  263    HH2  TRP  38           HH       TRP  38   9.173  -0.690  -2.213
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1 -15.739  -3.102  -1.097
    2   2H    LYS   1          2HT       LYS   1 -14.485  -3.564  -0.059
    3   3H    LYS   1          3HT       LYS   1 -14.815  -4.477  -1.444
    4    HA   LYS   1           HA       LYS   1 -13.708  -3.109  -2.806
    5   1HB   LYS   1          2HB       LYS   1 -15.312  -1.311  -2.533
    6   2HB   LYS   1          1HB       LYS   1 -14.656  -0.910  -0.954
    7   1HG   LYS   1          2HG       LYS   1 -13.892   0.731  -2.491
    8   2HG   LYS   1          1HG       LYS   1 -12.518  -0.289  -2.075
    9   1HD   LYS   1          2HD       LYS   1 -12.747  -1.501  -4.163
   10   2HD   LYS   1          1HD       LYS   1 -14.193  -0.575  -4.569
   11   1HE   LYS   1          2HE       LYS   1 -12.370   0.370  -5.786
   12   2HE   LYS   1          1HE       LYS   1 -12.795   1.494  -4.499
   13   1HZ   LYS   1          1HZ       LYS   1 -10.429  -0.262  -4.703
   14   2HZ   LYS   1          2HZ       LYS   1 -10.936   0.322  -3.195
   15   3HZ   LYS   1          3HZ       LYS   1 -10.496   1.404  -4.420
   16    H    CYS   2           H        CYS   2 -11.532  -2.898  -2.844
   17    HA   CYS   2           HA       CYS   2 -10.032  -1.927  -0.632
   18   1HB   CYS   2          2HB       CYS   2  -8.731  -4.026  -0.258
   19   2HB   CYS   2          1HB       CYS   2 -10.399  -4.131   0.284
   20    H    LEU   3           H        LEU   3  -7.759  -1.882  -1.084
   21    HA   LEU   3           HA       LEU   3  -7.276  -1.239  -3.842
   22   1HB   LEU   3          2HB       LEU   3  -5.452  -1.202  -1.438
   23   2HB   LEU   3          1HB       LEU   3  -5.104  -0.482  -2.990
   24    HG   LEU   3           HG       LEU   3  -7.361   0.357  -1.188
   25   1HD1  LEU   3          1HD1      LEU   3  -4.753   0.818  -0.700
   26   2HD1  LEU   3          2HD1      LEU   3  -6.050   1.932  -0.265
   27   3HD1  LEU   3          3HD1      LEU   3  -5.128   2.186  -1.748
   28   1HD2  LEU   3          1HD2      LEU   3  -7.648   0.673  -3.680
   29   2HD2  LEU   3          2HD2      LEU   3  -6.274   1.777  -3.611
   30   3HD2  LEU   3          3HD2      LEU   3  -7.742   2.137  -2.703
   31    H    ALA   4           H        ALA   4  -6.168  -2.435  -5.314
   32    HA   ALA   4           HA       ALA   4  -5.593  -5.170  -4.674
   33   1HB   ALA   4          1HB       ALA   4  -6.534  -4.166  -6.869
   34   2HB   ALA   4          2HB       ALA   4  -5.422  -5.533  -6.948
   35   3HB   ALA   4          3HB       ALA   4  -4.837  -3.900  -7.271
   36    H    GLU   5           H        GLU   5  -3.443  -5.817  -6.212
   37    HA   GLU   5           HA       GLU   5  -1.286  -5.144  -4.494
   38   1HB   GLU   5          2HB       GLU   5   0.038  -6.535  -6.173
   39   2HB   GLU   5          1HB       GLU   5  -1.251  -7.342  -5.292
   40   1HG   GLU   5          2HG       GLU   5  -2.721  -6.911  -7.295
   41   2HG   GLU   5          1HG       GLU   5  -1.256  -6.425  -8.149
   42    H    ALA   6           H        ALA   6   0.255  -3.762  -4.705
   43    HA   ALA   6           HA       ALA   6   1.521  -2.029  -5.395
   44   1HB   ALA   6          1HB       ALA   6   1.170  -3.615  -7.817
   45   2HB   ALA   6          2HB       ALA   6   2.613  -2.826  -7.179
   46   3HB   ALA   6          3HB       ALA   6   1.457  -1.906  -8.143
   47    H    ALA   7           H        ALA   7  -1.144  -1.595  -4.721
   48    HA   ALA   7           HA       ALA   7  -1.940   0.551  -6.589
   49   1HB   ALA   7          1HB       ALA   7  -4.052   0.233  -4.849
   50   2HB   ALA   7          2HB       ALA   7  -3.457  -1.413  -5.070
   51   3HB   ALA   7          3HB       ALA   7  -3.931  -0.452  -6.470
   52    H    ASP   8           H        ASP   8  -1.958   2.633  -5.906
   53    HA   ASP   8           HA       ASP   8  -0.553   3.378  -3.614
   54   1HB   ASP   8          2HB       ASP   8  -1.238   5.657  -4.096
   55   2HB   ASP   8          1HB       ASP   8  -0.819   4.828  -5.591
   56    H    CYS   9           H        CYS   9  -1.141   4.208  -1.639
   57    HA   CYS   9           HA       CYS   9  -3.960   3.921  -0.879
   58   1HB   CYS   9          2HB       CYS   9  -2.729   3.243   1.442
   59   2HB   CYS   9          1HB       CYS   9  -3.358   2.088   0.279
   60    H    SER  10           H        SER  10  -4.726   5.337   0.581
   61    HA   SER  10           HA       SER  10  -3.248   7.788   0.849
   62   1HB   SER  10          2HB       SER  10  -5.943   7.110   2.029
   63   2HB   SER  10          1HB       SER  10  -5.291   8.713   1.686
   64    HG   SER  10           HG       SER  10  -5.169   7.439  -0.583
   65    HA   PRO  11           HA       PRO  11  -1.405   6.729   4.748
   66   1HB   PRO  11          2HB       PRO  11  -0.532   9.223   5.384
   67   2HB   PRO  11          1HB       PRO  11   0.252   8.206   4.170
   68   1HG   PRO  11          2HG       PRO  11  -1.754  10.403   3.781
   69   2HG   PRO  11          1HG       PRO  11  -0.235  10.124   2.919
   70   1HD   PRO  11          2HD       PRO  11  -2.569   9.393   1.857
   71   2HD   PRO  11          1HD       PRO  11  -1.118   8.385   1.659
   72    H    TRP  12           H        TRP  12  -3.438   9.665   4.620
   73    HA   TRP  12           HA       TRP  12  -3.914   9.597   7.447
   74   1HB   TRP  12          2HB       TRP  12  -5.230  11.241   5.277
   75   2HB   TRP  12          1HB       TRP  12  -5.473  11.472   7.005
   76    HD1  TRP  12           HD       TRP  12  -3.296  12.356   8.416
   77    HE1  TRP  12           1HE      TRP  12  -1.354  13.869   7.669
   78    HE3  TRP  12           3HE      TRP  12  -3.786  11.866   3.351
   79    HZ2  TRP  12           2HZ      TRP  12  -0.191  14.750   5.253
   80    HZ3  TRP  12           3HZ      TRP  12  -2.224  13.085   1.893
   81    HH2  TRP  12           HH       TRP  12  -0.464  14.496   2.826
   82    H    SER  13           H        SER  13  -5.829   8.883   4.557
   83    HA   SER  13           HA       SER  13  -7.326   6.851   5.811
   84   1HB   SER  13          2HB       SER  13  -8.306   8.911   6.939
   85   2HB   SER  13          1HB       SER  13  -8.934   9.374   5.359
   86    HG   SER  13           HG       SER  13  -9.784   7.416   7.098
   87    H    GLY  14           H        GLY  14  -8.384   5.646   4.306
   88   1HA   GLY  14          2HA       GLY  14  -9.427   6.598   1.876
   89   2HA   GLY  14          1HA       GLY  14  -7.802   5.985   1.595
   90    H    ASP  15           H        ASP  15  -8.472   4.236   0.355
   91    HA   ASP  15           HA       ASP  15 -10.405   2.366   1.405
   92   1HB   ASP  15          2HB       ASP  15 -10.040   2.852  -1.078
   93   2HB   ASP  15          1HB       ASP  15  -8.580   1.898  -0.951
   94    H    SER  16           H        SER  16  -9.960   0.199   1.922
   95    HA   SER  16           HA       SER  16  -7.404  -0.126   3.259
   96   1HB   SER  16          2HB       SER  16  -9.667  -2.111   3.120
   97   2HB   SER  16          1HB       SER  16  -8.365  -2.058   4.300
   98    HG   SER  16           HG       SER  16  -9.983   0.199   4.068
   99    H    CYS  17           H        CYS  17  -5.895  -1.700   2.737
  100    HA   CYS  17           HA       CYS  17  -5.756  -2.421  -0.026
  101   1HB   CYS  17          2HB       CYS  17  -4.064  -3.467   2.262
  102   2HB   CYS  17          1HB       CYS  17  -3.664  -3.518   0.552
  103    H    CYS  18           H        CYS  18  -6.101  -4.421  -0.968
  104    HA   CYS  18           HA       CYS  18  -7.901  -6.221   0.283
  105   1HB   CYS  18          2HB       CYS  18  -6.155  -6.638  -2.164
  106   2HB   CYS  18          1HB       CYS  18  -7.470  -7.694  -1.670
  107    H    LYS  19           H        LYS  19  -7.537  -8.188   1.212
  108    HA   LYS  19           HA       LYS  19  -4.944  -8.508   2.383
  109   1HB   LYS  19          2HB       LYS  19  -5.999 -10.499   3.483
  110   2HB   LYS  19          1HB       LYS  19  -6.790  -8.974   3.810
  111   1HG   LYS  19          2HG       LYS  19  -7.813 -10.647   1.576
  112   2HG   LYS  19          1HG       LYS  19  -8.153 -11.149   3.233
  113   1HD   LYS  19          2HD       LYS  19  -8.788  -8.439   2.061
  114   2HD   LYS  19          1HD       LYS  19  -9.949  -9.747   2.292
  115   1HE   LYS  19          2HE       LYS  19  -9.556  -9.676   4.704
  116   2HE   LYS  19          1HE       LYS  19  -8.373  -8.388   4.480
  117   1HZ   LYS  19          1HZ       LYS  19  -9.973  -6.850   4.199
  118   2HZ   LYS  19          2HZ       LYS  19 -10.934  -7.953   5.047
  119   3HZ   LYS  19          3HZ       LYS  19 -11.006  -7.895   3.359
  120    HA   PRO  20           HA       PRO  20  -3.756  -9.762   3.198
  121   1HB   PRO  20          2HB       PRO  20  -1.542 -11.241   3.269
  122   2HB   PRO  20          1HB       PRO  20  -3.135 -11.980   3.458
  123   1HG   PRO  20          2HG       PRO  20  -1.273 -12.095   1.168
  124   2HG   PRO  20          1HG       PRO  20  -2.552 -13.226   1.632
  125   1HD   PRO  20          2HD       PRO  20  -2.653 -11.093  -0.323
  126   2HD   PRO  20          1HD       PRO  20  -3.900 -12.295   0.066
  127    H    TYR  21           H        TYR  21  -3.358  -8.025   0.914
  128    HA   TYR  21           HA       TYR  21  -0.497  -7.488   0.842
  129   1HB   TYR  21          2HB       TYR  21  -2.721  -5.909  -0.488
  130   2HB   TYR  21          1HB       TYR  21  -0.996  -5.804  -0.819
  131    HD1  TYR  21           1HD      TYR  21  -3.968  -7.989  -1.154
  132    HD2  TYR  21           2HD      TYR  21   0.073  -7.320  -2.293
  133    HE1  TYR  21           1HE      TYR  21  -4.171  -9.731  -2.878
  134    HE2  TYR  21           2HE      TYR  21  -0.118  -9.055  -4.021
  135    HH   TYR  21           HH       TYR  21  -2.060 -10.089  -5.396
  136    H    LEU  22           H        LEU  22   0.476  -5.618   1.551
  137    HA   LEU  22           HA       LEU  22  -1.070  -4.047   3.510
  138   1HB   LEU  22          2HB       LEU  22   0.482  -5.589   4.590
  139   2HB   LEU  22          1HB       LEU  22   1.802  -4.967   3.622
  140    HG   LEU  22           HG       LEU  22   1.493  -2.749   4.745
  141   1HD1  LEU  22          1HD1      LEU  22  -0.228  -4.255   6.696
  142   2HD1  LEU  22          2HD1      LEU  22  -0.888  -3.240   5.413
  143   3HD1  LEU  22          3HD1      LEU  22   0.131  -2.528   6.664
  144   1HD2  LEU  22          1HD2      LEU  22   2.372  -5.244   6.067
  145   2HD2  LEU  22          2HD2      LEU  22   2.202  -3.816   7.089
  146   3HD2  LEU  22          3HD2      LEU  22   3.276  -3.777   5.689
  147    H    CYS  23           H        CYS  23  -0.702  -1.838   3.581
  148    HA   CYS  23           HA       CYS  23   0.210  -0.597   1.198
  149   1HB   CYS  23          2HB       CYS  23  -1.563   0.361   2.631
  150   2HB   CYS  23          1HB       CYS  23  -0.378   0.642   3.899
  151    H    SER  24           H        SER  24   2.259  -0.412   0.639
  152    HA   SER  24           HA       SER  24   4.325  -0.322   2.700
  153   1HB   SER  24          2HB       SER  24   5.878  -0.877   0.899
  154   2HB   SER  24          1HB       SER  24   4.504  -1.969   0.837
  155    HG   SER  24           HG       SER  24   3.647  -0.371  -0.755
  156    H    CYS  25           H        CYS  25   5.335   1.524   3.212
  157    HA   CYS  25           HA       CYS  25   5.124   3.786   1.338
  158   1HB   CYS  25          2HB       CYS  25   5.057   3.890   4.362
  159   2HB   CYS  25          1HB       CYS  25   5.079   5.293   3.303
  160    H    ILE  26           H        ILE  26   7.223   2.422   0.812
  161    HA   ILE  26           HA       ILE  26   9.452   3.113   2.523
  162    HB   ILE  26           HB       ILE  26  10.864   1.951   0.838
  163   1HG1  ILE  26          2HG1      ILE  26   9.135   2.385  -1.049
  164   2HG1  ILE  26          1HG1      ILE  26  10.020   0.868  -1.048
  165   1HG2  ILE  26          1HG2      ILE  26  10.138  -0.282   1.429
  166   2HG2  ILE  26          2HG2      ILE  26   8.542   0.329   1.865
  167   3HG2  ILE  26          3HG2      ILE  26   9.957   0.808   2.804
  168   1HD1  ILE  26          1HD1      ILE  26   7.314   1.061   0.211
  169   2HD1  ILE  26          2HD1      ILE  26   8.154  -0.356  -0.419
  170   3HD1  ILE  26          3HD1      ILE  26   7.498   0.845  -1.530
  171    H    PHE  27           H        PHE  27  11.506   3.693   0.953
  172    HA   PHE  27           HA       PHE  27  10.965   6.417   0.198
  173   1HB   PHE  27          2HB       PHE  27  13.492   4.772   0.169
  174   2HB   PHE  27          1HB       PHE  27  13.433   6.476  -0.263
  175    HD1  PHE  27           1HD      PHE  27  14.077   7.956   1.349
  176    HD2  PHE  27           2HD      PHE  27  12.304   4.279   2.557
  177    HE1  PHE  27           1HE      PHE  27  14.412   8.573   3.705
  178    HE2  PHE  27           2HE      PHE  27  12.633   4.894   4.916
  179    HZ   PHE  27           HZ       PHE  27  13.688   7.042   5.493
  180    H    PHE  28           H        PHE  28  12.177   3.527  -1.450
  181    HA   PHE  28           HA       PHE  28  12.478   4.697  -3.987
  182   1HB   PHE  28          2HB       PHE  28  12.140   1.824  -3.133
  183   2HB   PHE  28          1HB       PHE  28  12.429   2.293  -4.802
  184    HD1  PHE  28           1HD      PHE  28  13.896   3.133  -1.459
  185    HD2  PHE  28           2HD      PHE  28  14.575   2.006  -5.507
  186    HE1  PHE  28           1HE      PHE  28  16.322   3.131  -1.048
  187    HE2  PHE  28           2HE      PHE  28  17.002   2.001  -5.101
  188    HZ   PHE  28           HZ       PHE  28  17.878   2.563  -2.870
  189    H    TYR  29           H        TYR  29   9.710   3.473  -2.337
  190    HA   TYR  29           HA       TYR  29   8.055   4.200  -4.636
  191   1HB   TYR  29          2HB       TYR  29   7.811   1.565  -3.164
  192   2HB   TYR  29          1HB       TYR  29   6.624   2.187  -4.303
  193    HD1  TYR  29           1HD      TYR  29   7.023   2.114  -6.677
  194    HD2  TYR  29           2HD      TYR  29   9.982   0.738  -3.948
  195    HE1  TYR  29           1HE      TYR  29   8.208   1.013  -8.527
  196    HE2  TYR  29           2HE      TYR  29  11.179  -0.362  -5.792
  197    HH   TYR  29           HH       TYR  29  11.186   0.174  -8.564
  198    HA   PRO  30           HA       PRO  30   5.902   6.263  -1.345
  199   1HB   PRO  30          2HB       PRO  30   3.682   6.938  -2.789
  200   2HB   PRO  30          1HB       PRO  30   5.213   7.816  -2.880
  201   1HG   PRO  30          2HG       PRO  30   4.113   5.731  -4.721
  202   2HG   PRO  30          1HG       PRO  30   4.959   7.239  -5.115
  203   1HD   PRO  30          2HD       PRO  30   6.194   4.842  -5.169
  204   2HD   PRO  30          1HD       PRO  30   7.039   6.327  -4.691
  205    H    CYS  31           H        CYS  31   3.635   6.225  -0.410
  206    HA   CYS  31           HA       CYS  31   3.002   3.728   0.520
  207   1HB   CYS  31          2HB       CYS  31   1.254   6.173   0.272
  208   2HB   CYS  31          1HB       CYS  31   0.767   4.722   1.142
  209    H    SER  32           H        SER  32   2.526   2.043  -0.609
  210    HA   SER  32           HA       SER  32   0.146   2.003  -2.261
  211   1HB   SER  32          2HB       SER  32   1.521   0.762  -4.079
  212   2HB   SER  32          1HB       SER  32   1.615   2.523  -4.022
  213    HG   SER  32           HG       SER  32   3.551   2.226  -2.723
  214    H    CYS  33           H        CYS  33  -0.909   0.115  -1.979
  215    HA   CYS  33           HA       CYS  33   0.012  -1.781  -0.105
  216   1HB   CYS  33          2HB       CYS  33  -2.177  -2.290  -2.120
  217   2HB   CYS  33          1HB       CYS  33  -2.001  -2.973  -0.514
  218    H    ARG  34           H        ARG  34   1.215  -3.496  -0.337
  219    HA   ARG  34           HA       ARG  34   1.555  -4.767  -2.962
  220   1HB   ARG  34          2HB       ARG  34   3.884  -4.149  -1.114
  221   2HB   ARG  34          1HB       ARG  34   3.957  -4.870  -2.715
  222   1HG   ARG  34          2HG       ARG  34   3.100  -2.746  -3.650
  223   2HG   ARG  34          1HG       ARG  34   3.191  -2.044  -2.042
  224   1HD   ARG  34          2HD       ARG  34   5.590  -2.425  -1.994
  225   2HD   ARG  34          1HD       ARG  34   5.514  -3.193  -3.583
  226    HE   ARG  34           HE       ARG  34   5.411  -0.368  -2.995
  227   1HH1  ARG  34          1HH1      ARG  34   4.831  -2.868  -5.370
  228   2HH1  ARG  34          2HH1      ARG  34   4.653  -1.761  -6.692
  229   1HH2  ARG  34          1HH2      ARG  34   5.145   1.105  -4.723
  230   2HH2  ARG  34          2HH2      ARG  34   4.834   0.509  -6.321
  231    HA   PRO  35           HA       PRO  35   1.134  -8.642  -0.888
  232   1HB   PRO  35          2HB       PRO  35   3.950  -9.327  -1.563
  233   2HB   PRO  35          1HB       PRO  35   2.468 -10.241  -1.856
  234   1HG   PRO  35          2HG       PRO  35   3.735  -8.914  -3.823
  235   2HG   PRO  35          1HG       PRO  35   1.973  -9.087  -3.780
  236   1HD   PRO  35          2HD       PRO  35   3.648  -6.706  -3.244
  237   2HD   PRO  35          1HD       PRO  35   1.972  -6.807  -3.812
  238    H    LYS  36           H        LYS  36   1.465  -9.432   1.174
  239    HA   LYS  36           HA       LYS  36   3.079  -7.816   2.899
  240   1HB   LYS  36          2HB       LYS  36   0.885  -8.707   3.599
  241   2HB   LYS  36          1HB       LYS  36   1.526 -10.341   3.500
  242   1HG   LYS  36          2HG       LYS  36   3.129  -9.816   5.276
  243   2HG   LYS  36          1HG       LYS  36   2.460  -8.186   5.384
  244   1HD   LYS  36          2HD       LYS  36   0.284  -9.112   5.996
  245   2HD   LYS  36          1HD       LYS  36   0.936 -10.746   5.862
  246   1HE   LYS  36          2HE       LYS  36   2.528 -10.248   7.658
  247   2HE   LYS  36          1HE       LYS  36   1.854  -8.625   7.800
  248   1HZ   LYS  36          1HZ       LYS  36   0.597  -9.600   9.366
  249   2HZ   LYS  36          2HZ       LYS  36   0.795 -11.157   8.734
  250   3HZ   LYS  36          3HZ       LYS  36  -0.343 -10.107   8.053
  251    H    GLY  37           H        GLY  37   5.152  -8.122   3.258
  252   1HA   GLY  37          2HA       GLY  37   7.096  -9.289   3.834
  253   2HA   GLY  37          1HA       GLY  37   6.258 -10.801   3.500
  254    H    TRP  38           H        TRP  38   6.669  -7.931   1.497
  255    HA   TRP  38           HA       TRP  38   7.407  -9.509  -0.778
  256   1HB   TRP  38          2HB       TRP  38   7.286  -7.463  -2.015
  257   2HB   TRP  38          1HB       TRP  38   5.965  -7.430  -0.854
  258    HD1  TRP  38           HD       TRP  38   9.186  -5.662  -1.777
  259    HE1  TRP  38           1HE      TRP  38   9.416  -3.512  -0.391
  260    HE3  TRP  38           3HE      TRP  38   5.296  -6.360   1.466
  261    HZ2  TRP  38           2HZ      TRP  38   8.122  -2.270   1.787
  262    HZ3  TRP  38           3HZ      TRP  38   4.861  -4.645   3.170
  263    HH2  TRP  38           HH       TRP  38   6.245  -2.641   3.327
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1 -13.731   0.033   1.176
    2   2H    LYS   1          2HT       LYS   1 -14.562   0.801  -0.080
    3   3H    LYS   1          3HT       LYS   1 -12.934   1.184   0.219
    4    HA   LYS   1           HA       LYS   1 -13.874  -1.510  -0.614
    5   1HB   LYS   1          2HB       LYS   1 -14.332   0.180  -2.346
    6   2HB   LYS   1          1HB       LYS   1 -12.692   0.791  -2.210
    7   1HG   LYS   1          2HG       LYS   1 -11.858  -1.383  -3.041
    8   2HG   LYS   1          1HG       LYS   1 -13.528  -1.906  -3.264
    9   1HD   LYS   1          2HD       LYS   1 -12.492  -1.100  -5.351
   10   2HD   LYS   1          1HD       LYS   1 -13.894  -0.139  -4.879
   11   1HE   LYS   1          2HE       LYS   1 -11.941   1.193  -5.692
   12   2HE   LYS   1          1HE       LYS   1 -12.508   1.629  -4.082
   13   1HZ   LYS   1          1HZ       LYS   1  -9.937   0.997  -4.794
   14   2HZ   LYS   1          2HZ       LYS   1 -10.479  -0.372  -3.963
   15   3HZ   LYS   1          3HZ       LYS   1 -10.541   1.155  -3.217
   16    H    CYS   2           H        CYS   2 -11.732  -2.541  -1.731
   17    HA   CYS   2           HA       CYS   2  -9.544  -1.831   0.078
   18   1HB   CYS   2          2HB       CYS   2  -8.767  -4.084   0.115
   19   2HB   CYS   2          1HB       CYS   2 -10.474  -4.097   0.499
   20    H    LEU   3           H        LEU   3  -7.414  -2.163  -0.687
   21    HA   LEU   3           HA       LEU   3  -7.160  -1.319  -3.477
   22   1HB   LEU   3          2HB       LEU   3  -5.243  -1.205  -1.151
   23   2HB   LEU   3          1HB       LEU   3  -4.917  -0.578  -2.749
   24    HG   LEU   3           HG       LEU   3  -7.106   0.399  -0.925
   25   1HD1  LEU   3          1HD1      LEU   3  -5.190   2.395  -1.490
   26   2HD1  LEU   3          2HD1      LEU   3  -4.321   0.961  -0.940
   27   3HD1  LEU   3          3HD1      LEU   3  -5.589   1.664   0.065
   28   1HD2  LEU   3          1HD2      LEU   3  -7.922   1.548  -2.643
   29   2HD2  LEU   3          2HD2      LEU   3  -6.854   0.622  -3.697
   30   3HD2  LEU   3          3HD2      LEU   3  -6.325   2.176  -3.053
   31    H    ALA   4           H        ALA   4  -6.214  -2.598  -4.984
   32    HA   ALA   4           HA       ALA   4  -5.484  -5.275  -4.255
   33   1HB   ALA   4          1HB       ALA   4  -6.703  -4.671  -6.348
   34   2HB   ALA   4          2HB       ALA   4  -5.288  -5.695  -6.596
   35   3HB   ALA   4          3HB       ALA   4  -5.202  -3.970  -6.954
   36    H    GLU   5           H        GLU   5  -3.452  -5.888  -6.009
   37    HA   GLU   5           HA       GLU   5  -1.190  -5.118  -4.489
   38   1HB   GLU   5          2HB       GLU   5   0.063  -6.457  -6.219
   39   2HB   GLU   5          1HB       GLU   5  -1.193  -7.318  -5.343
   40   1HG   GLU   5          2HG       GLU   5  -2.692  -6.733  -7.349
   41   2HG   GLU   5          1HG       GLU   5  -1.176  -6.394  -8.185
   42    H    ALA   6           H        ALA   6   0.243  -3.638  -4.793
   43    HA   ALA   6           HA       ALA   6   1.387  -1.855  -5.588
   44   1HB   ALA   6          1HB       ALA   6   1.084  -1.669  -8.294
   45   2HB   ALA   6          2HB       ALA   6   0.802  -3.388  -8.018
   46   3HB   ALA   6          3HB       ALA   6   2.307  -2.644  -7.478
   47    H    ALA   7           H        ALA   7  -1.230  -1.530  -4.645
   48    HA   ALA   7           HA       ALA   7  -2.308   0.548  -6.435
   49   1HB   ALA   7          1HB       ALA   7  -4.219   0.271  -4.535
   50   2HB   ALA   7          2HB       ALA   7  -3.543  -1.357  -4.577
   51   3HB   ALA   7          3HB       ALA   7  -4.180  -0.628  -6.051
   52    H    ASP   8           H        ASP   8  -2.127   2.620  -5.915
   53    HA   ASP   8           HA       ASP   8  -0.594   3.624  -3.849
   54   1HB   ASP   8          2HB       ASP   8  -1.195   4.938  -5.825
   55   2HB   ASP   8          1HB       ASP   8  -2.877   4.982  -5.305
   56    H    CYS   9           H        CYS   9  -0.950   4.250  -1.752
   57    HA   CYS   9           HA       CYS   9  -3.712   4.045  -0.783
   58   1HB   CYS   9          2HB       CYS   9  -2.601   3.190   1.412
   59   2HB   CYS   9          1HB       CYS   9  -2.959   2.083   0.101
   60    H    SER  10           H        SER  10  -4.356   5.360   0.753
   61    HA   SER  10           HA       SER  10  -2.864   7.798   1.082
   62   1HB   SER  10          2HB       SER  10  -5.514   7.031   2.319
   63   2HB   SER  10          1HB       SER  10  -4.870   8.660   2.096
   64    HG   SER  10           HG       SER  10  -4.816   7.636  -0.278
   65    HA   PRO  11           HA       PRO  11  -0.868   6.540   4.838
   66   1HB   PRO  11          2HB       PRO  11   0.039   8.979   5.589
   67   2HB   PRO  11          1HB       PRO  11   0.745   8.066   4.248
   68   1HG   PRO  11          2HG       PRO  11  -1.305  10.258   4.162
   69   2HG   PRO  11          1HG       PRO  11   0.167  10.083   3.198
   70   1HD   PRO  11          2HD       PRO  11  -2.211   9.389   2.210
   71   2HD   PRO  11          1HD       PRO  11  -0.757   8.434   1.849
   72    H    TRP  12           H        TRP  12  -2.913   9.466   4.990
   73    HA   TRP  12           HA       TRP  12  -3.252   9.208   7.823
   74   1HB   TRP  12          2HB       TRP  12  -4.627  11.011   5.828
   75   2HB   TRP  12          1HB       TRP  12  -4.842  11.107   7.572
   76    HD1  TRP  12           HD       TRP  12  -2.601  11.820   9.011
   77    HE1  TRP  12           1HE      TRP  12  -0.667  13.383   8.354
   78    HE3  TRP  12           3HE      TRP  12  -3.257  11.839   3.941
   79    HZ2  TRP  12           2HZ      TRP  12   0.431  14.487   6.000
   80    HZ3  TRP  12           3HZ      TRP  12  -1.726  13.180   2.559
   81    HH2  TRP  12           HH       TRP  12   0.080  14.476   3.569
   82    H    SER  13           H        SER  13  -5.343   8.694   4.998
   83    HA   SER  13           HA       SER  13  -6.754   6.583   6.219
   84   1HB   SER  13          2HB       SER  13  -7.651   8.528   7.562
   85   2HB   SER  13          1HB       SER  13  -8.370   9.137   6.072
   86    HG   SER  13           HG       SER  13  -9.132   7.028   7.674
   87    H    GLY  14           H        GLY  14  -8.079   5.526   4.803
   88   1HA   GLY  14          2HA       GLY  14  -9.339   6.498   2.543
   89   2HA   GLY  14          1HA       GLY  14  -7.717   6.037   2.035
   90    H    ASP  15           H        ASP  15  -8.577   4.354   0.726
   91    HA   ASP  15           HA       ASP  15 -10.201   2.276   1.808
   92   1HB   ASP  15          2HB       ASP  15  -8.753   2.718  -0.730
   93   2HB   ASP  15          1HB       ASP  15  -9.031   1.052  -0.290
   94    H    SER  16           H        SER  16  -9.632   0.241   2.441
   95    HA   SER  16           HA       SER  16  -6.967  -0.019   3.564
   96   1HB   SER  16          2HB       SER  16  -9.180  -2.062   3.715
   97   2HB   SER  16          1HB       SER  16  -7.834  -1.829   4.829
   98    HG   SER  16           HG       SER  16  -9.106   0.451   4.781
   99    H    CYS  17           H        CYS  17  -5.519  -1.696   2.982
  100    HA   CYS  17           HA       CYS  17  -5.596  -2.436   0.237
  101   1HB   CYS  17          2HB       CYS  17  -3.837  -3.616   2.397
  102   2HB   CYS  17          1HB       CYS  17  -3.531  -3.606   0.665
  103    H    CYS  18           H        CYS  18  -6.115  -4.361  -0.720
  104    HA   CYS  18           HA       CYS  18  -7.938  -6.120   0.540
  105   1HB   CYS  18          2HB       CYS  18  -6.297  -6.660  -1.949
  106   2HB   CYS  18          1HB       CYS  18  -7.780  -7.469  -1.479
  107    H    LYS  19           H        LYS  19  -7.649  -8.259   1.171
  108    HA   LYS  19           HA       LYS  19  -5.091  -8.758   2.362
  109   1HB   LYS  19          2HB       LYS  19  -6.178 -10.780   3.255
  110   2HB   LYS  19          1HB       LYS  19  -7.089  -9.326   3.597
  111   1HG   LYS  19          2HG       LYS  19  -8.644  -9.851   1.811
  112   2HG   LYS  19          1HG       LYS  19  -7.702 -11.284   1.392
  113   1HD   LYS  19          2HD       LYS  19  -8.149 -12.215   3.619
  114   2HD   LYS  19          1HD       LYS  19  -9.111 -10.790   4.016
  115   1HE   LYS  19          2HE       LYS  19 -10.660 -11.323   2.207
  116   2HE   LYS  19          1HE       LYS  19  -9.689 -12.731   1.779
  117   1HZ   LYS  19          1HZ       LYS  19 -11.658 -13.256   3.149
  118   2HZ   LYS  19          2HZ       LYS  19 -10.999 -12.349   4.415
  119   3HZ   LYS  19          3HZ       LYS  19 -10.203 -13.738   3.869
  120    HA   PRO  20           HA       PRO  20  -3.903 -10.029   2.998
  121   1HB   PRO  20          2HB       PRO  20  -1.725 -11.564   2.955
  122   2HB   PRO  20          1HB       PRO  20  -3.337 -12.280   3.055
  123   1HG   PRO  20          2HG       PRO  20  -1.442 -12.248   0.793
  124   2HG   PRO  20          1HG       PRO  20  -2.783 -13.357   1.119
  125   1HD   PRO  20          2HD       PRO  20  -2.740 -11.006  -0.594
  126   2HD   PRO  20          1HD       PRO  20  -4.024 -12.220  -0.405
  127    H    TYR  21           H        TYR  21  -3.372  -8.184   0.718
  128    HA   TYR  21           HA       TYR  21  -0.518  -7.734   0.701
  129   1HB   TYR  21          2HB       TYR  21  -2.701  -5.885  -0.317
  130   2HB   TYR  21          1HB       TYR  21  -0.987  -5.818  -0.714
  131    HD1  TYR  21           1HD      TYR  21   0.027  -7.539  -2.154
  132    HD2  TYR  21           2HD      TYR  21  -4.158  -7.474  -1.397
  133    HE1  TYR  21           1HE      TYR  21  -0.334  -9.052  -4.057
  134    HE2  TYR  21           2HE      TYR  21  -4.531  -8.987  -3.300
  135    HH   TYR  21           HH       TYR  21  -2.052  -9.728  -5.584
  136    H    LEU  22           H        LEU  22  -0.012  -5.160   0.965
  137    HA   LEU  22           HA       LEU  22  -1.173  -4.039   3.356
  138   1HB   LEU  22          2HB       LEU  22   0.344  -5.733   4.284
  139   2HB   LEU  22          1HB       LEU  22   1.675  -5.052   3.368
  140    HG   LEU  22           HG       LEU  22   1.430  -2.942   4.673
  141   1HD1  LEU  22          1HD1      LEU  22   0.087  -3.829   6.947
  142   2HD1  LEU  22          2HD1      LEU  22  -0.943  -4.294   5.593
  143   3HD1  LEU  22          3HD1      LEU  22  -0.458  -2.610   5.793
  144   1HD2  LEU  22          1HD2      LEU  22   2.054  -5.552   5.998
  145   2HD2  LEU  22          2HD2      LEU  22   2.200  -4.031   6.880
  146   3HD2  LEU  22          3HD2      LEU  22   3.156  -4.302   5.422
  147    H    CYS  23           H        CYS  23  -0.804  -1.868   3.484
  148    HA   CYS  23           HA       CYS  23   0.198  -0.541   1.188
  149   1HB   CYS  23          2HB       CYS  23  -1.620   0.420   2.484
  150   2HB   CYS  23          1HB       CYS  23  -0.592   0.517   3.908
  151    H    SER  24           H        SER  24   2.284  -0.367   0.726
  152    HA   SER  24           HA       SER  24   4.194  -0.149   2.931
  153   1HB   SER  24          2HB       SER  24   5.914  -0.639   1.181
  154   2HB   SER  24          1HB       SER  24   4.722  -1.916   1.379
  155    HG   SER  24           HG       SER  24   3.726  -0.360  -0.449
  156    H    CYS  25           H        CYS  25   4.517   1.856   3.529
  157    HA   CYS  25           HA       CYS  25   4.517   4.004   1.528
  158   1HB   CYS  25          2HB       CYS  25   3.095   3.899   3.774
  159   2HB   CYS  25          1HB       CYS  25   4.580   4.527   4.472
  160    H    ILE  26           H        ILE  26   6.744   2.746   1.162
  161    HA   ILE  26           HA       ILE  26   8.804   3.749   2.956
  162    HB   ILE  26           HB       ILE  26  10.404   2.429   1.628
  163   1HG1  ILE  26          2HG1      ILE  26   8.967   2.531  -0.505
  164   2HG1  ILE  26          1HG1      ILE  26   9.807   1.025  -0.158
  165   1HG2  ILE  26          1HG2      ILE  26   8.388   1.501   3.363
  166   2HG2  ILE  26          2HG2      ILE  26   9.996   0.828   3.096
  167   3HG2  ILE  26          3HG2      ILE  26   8.630   0.256   2.136
  168   1HD1  ILE  26          1HD1      ILE  26   7.415   0.868  -0.977
  169   2HD1  ILE  26          2HD1      ILE  26   6.942   1.463   0.614
  170   3HD1  ILE  26          3HD1      ILE  26   7.827  -0.056   0.467
  171    H    PHE  27           H        PHE  27  10.942   4.227   1.472
  172    HA   PHE  27           HA       PHE  27  10.275   6.751   0.228
  173   1HB   PHE  27          2HB       PHE  27  12.896   5.427   0.896
  174   2HB   PHE  27          1HB       PHE  27  12.787   6.987   0.093
  175    HD1  PHE  27           1HD      PHE  27  13.160   8.781   1.444
  176    HD2  PHE  27           2HD      PHE  27  11.237   5.361   3.094
  177    HE1  PHE  27           1HE      PHE  27  13.044   9.905   3.630
  178    HE2  PHE  27           2HE      PHE  27  11.114   6.481   5.280
  179    HZ   PHE  27           HZ       PHE  27  12.018   8.755   5.551
  180    H    PHE  28           H        PHE  28  12.269   3.959  -0.736
  181    HA   PHE  28           HA       PHE  28  12.713   4.793  -3.363
  182   1HB   PHE  28          2HB       PHE  28  12.819   2.077  -2.071
  183   2HB   PHE  28          1HB       PHE  28  13.197   2.310  -3.773
  184    HD1  PHE  28           1HD      PHE  28  14.070   4.102  -0.601
  185    HD2  PHE  28           2HD      PHE  28  15.435   2.267  -4.191
  186    HE1  PHE  28           1HE      PHE  28  16.386   4.690  -0.017
  187    HE2  PHE  28           2HE      PHE  28  17.753   2.851  -3.612
  188    HZ   PHE  28           HZ       PHE  28  18.231   4.063  -1.523
  189    H    TYR  29           H        TYR  29  10.071   3.003  -1.964
  190    HA   TYR  29           HA       TYR  29   8.829   2.883  -4.634
  191   1HB   TYR  29          2HB       TYR  29   8.372   1.070  -2.252
  192   2HB   TYR  29          1HB       TYR  29   7.405   1.038  -3.719
  193    HD1  TYR  29           1HD      TYR  29  11.024   0.863  -2.745
  194    HD2  TYR  29           2HD      TYR  29   7.911  -0.589  -5.254
  195    HE1  TYR  29           1HE      TYR  29  12.586  -0.757  -3.734
  196    HE2  TYR  29           2HE      TYR  29   9.465  -2.213  -6.250
  197    HH   TYR  29           HH       TYR  29  11.866  -3.350  -5.188
  198    HA   PRO  30           HA       PRO  30   6.007   5.950  -3.097
  199   1HB   PRO  30          2HB       PRO  30   4.169   4.733  -5.089
  200   2HB   PRO  30          1HB       PRO  30   4.676   6.415  -4.908
  201   1HG   PRO  30          2HG       PRO  30   5.630   4.899  -6.886
  202   2HG   PRO  30          1HG       PRO  30   6.659   6.080  -6.055
  203   1HD   PRO  30          2HD       PRO  30   6.565   3.109  -5.763
  204   2HD   PRO  30          1HD       PRO  30   7.963   4.202  -5.724
  205    H    CYS  31           H        CYS  31   4.379   5.976  -1.616
  206    HA   CYS  31           HA       CYS  31   3.726   3.702  -0.187
  207   1HB   CYS  31          2HB       CYS  31   2.182   6.295  -0.349
  208   2HB   CYS  31          1HB       CYS  31   2.021   5.082   0.921
  209    H    SER  32           H        SER  32   2.885   2.014  -1.166
  210    HA   SER  32           HA       SER  32   0.138   2.168  -2.047
  211   1HB   SER  32          2HB       SER  32   0.797   0.863  -4.175
  212   2HB   SER  32          1HB       SER  32   1.110   2.599  -4.158
  213    HG   SER  32           HG       SER  32   3.287   2.033  -3.445
  214    H    CYS  33           H        CYS  33  -0.907   0.133  -2.022
  215    HA   CYS  33           HA       CYS  33   0.158  -1.707  -0.148
  216   1HB   CYS  33          2HB       CYS  33  -2.137  -2.274  -2.029
  217   2HB   CYS  33          1HB       CYS  33  -1.824  -2.989  -0.461
  218    H    ARG  34           H        ARG  34   1.359  -3.383  -0.422
  219    HA   ARG  34           HA       ARG  34   1.709  -4.607  -3.079
  220   1HB   ARG  34          2HB       ARG  34   3.950  -4.104  -1.092
  221   2HB   ARG  34          1HB       ARG  34   4.100  -4.757  -2.716
  222   1HG   ARG  34          2HG       ARG  34   3.036  -2.001  -2.258
  223   2HG   ARG  34          1HG       ARG  34   4.769  -2.320  -2.301
  224   1HD   ARG  34          2HD       ARG  34   4.650  -3.111  -4.536
  225   2HD   ARG  34          1HD       ARG  34   2.887  -3.139  -4.499
  226    HE   ARG  34           HE       ARG  34   3.480  -0.539  -4.012
  227   1HH1  ARG  34          1HH1      ARG  34   4.499  -2.762  -6.517
  228   2HH1  ARG  34          2HH1      ARG  34   4.561  -1.547  -7.749
  229   1HH2  ARG  34          1HH2      ARG  34   3.543   1.058  -5.612
  230   2HH2  ARG  34          2HH2      ARG  34   4.019   0.645  -7.231
  231    HA   PRO  35           HA       PRO  35   1.166  -8.534  -1.085
  232   1HB   PRO  35          2HB       PRO  35   3.991  -9.257  -1.677
  233   2HB   PRO  35          1HB       PRO  35   2.504 -10.130  -2.060
  234   1HG   PRO  35          2HG       PRO  35   3.897  -8.778  -3.926
  235   2HG   PRO  35          1HG       PRO  35   2.132  -8.925  -3.980
  236   1HD   PRO  35          2HD       PRO  35   3.810  -6.585  -3.294
  237   2HD   PRO  35          1HD       PRO  35   2.167  -6.646  -3.956
  238    H    LYS  36           H        LYS  36   1.439  -9.324   1.011
  239    HA   LYS  36           HA       LYS  36   3.085  -7.726   2.731
  240   1HB   LYS  36          2HB       LYS  36   0.846  -8.569   3.423
  241   2HB   LYS  36          1HB       LYS  36   1.490 -10.205   3.414
  242   1HG   LYS  36          2HG       LYS  36   3.011  -9.670   5.198
  243   2HG   LYS  36          1HG       LYS  36   2.529  -7.974   5.148
  244   1HD   LYS  36          2HD       LYS  36   0.588 -10.203   5.728
  245   2HD   LYS  36          1HD       LYS  36   1.513  -9.395   6.993
  246   1HE   LYS  36          2HE       LYS  36  -0.523  -8.256   6.979
  247   2HE   LYS  36          1HE       LYS  36   0.545  -7.217   6.042
  248   1HZ   LYS  36          1HZ       LYS  36  -1.088  -7.268   4.535
  249   2HZ   LYS  36          2HZ       LYS  36  -1.827  -8.623   5.226
  250   3HZ   LYS  36          3HZ       LYS  36  -0.536  -8.823   4.151
  251    H    GLY  37           H        GLY  37   5.162  -8.058   2.972
  252   1HA   GLY  37          2HA       GLY  37   7.059  -9.304   3.633
  253   2HA   GLY  37          1HA       GLY  37   6.203 -10.783   3.205
  254    H    TRP  38           H        TRP  38   6.681  -7.816   1.372
  255    HA   TRP  38           HA       TRP  38   7.408  -9.264  -0.988
  256   1HB   TRP  38          2HB       TRP  38   7.311  -7.158  -2.102
  257   2HB   TRP  38          1HB       TRP  38   6.014  -7.135  -0.914
  258    HD1  TRP  38           HD       TRP  38   9.283  -5.442  -1.813
  259    HE1  TRP  38           1HE      TRP  38   9.619  -3.374  -0.326
  260    HE3  TRP  38           3HE      TRP  38   5.426  -6.153   1.466
  261    HZ2  TRP  38           2HZ      TRP  38   8.413  -2.195   1.934
  262    HZ3  TRP  38           3HZ      TRP  38   5.087  -4.511   3.262
  263    HH2  TRP  38           HH       TRP  38   6.551  -2.572   3.490
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1 -15.557  -1.631  -1.617
    2   2H    LYS   1          2HT       LYS   1 -14.288  -0.810  -0.842
    3   3H    LYS   1          3HT       LYS   1 -14.671  -2.400  -0.396
    4    HA   LYS   1           HA       LYS   1 -13.987  -3.205  -2.564
    5   1HB   LYS   1          2HB       LYS   1 -14.599  -1.267  -3.866
    6   2HB   LYS   1          1HB       LYS   1 -13.533  -0.231  -2.942
    7   1HG   LYS   1          2HG       LYS   1 -12.640  -0.595  -5.144
    8   2HG   LYS   1          1HG       LYS   1 -11.594  -1.351  -3.947
    9   1HD   LYS   1          2HD       LYS   1 -12.620  -3.534  -4.465
   10   2HD   LYS   1          1HD       LYS   1 -13.617  -2.754  -5.698
   11   1HE   LYS   1          2HE       LYS   1 -11.683  -2.150  -6.975
   12   2HE   LYS   1          1HE       LYS   1 -10.603  -2.673  -5.685
   13   1HZ   LYS   1          1HZ       LYS   1 -12.425  -4.687  -6.728
   14   2HZ   LYS   1          2HZ       LYS   1 -10.803  -4.825  -6.268
   15   3HZ   LYS   1          3HZ       LYS   1 -11.201  -4.178  -7.779
   16    H    CYS   2           H        CYS   2 -11.439  -3.001  -3.227
   17    HA   CYS   2           HA       CYS   2  -9.852  -2.211  -0.976
   18   1HB   CYS   2          2HB       CYS   2  -8.756  -4.370  -0.674
   19   2HB   CYS   2          1HB       CYS   2 -10.466  -4.470  -0.312
   20    H    LEU   3           H        LEU   3  -7.699  -2.033  -1.432
   21    HA   LEU   3           HA       LEU   3  -7.155  -1.420  -4.184
   22   1HB   LEU   3          2HB       LEU   3  -5.410  -1.280  -1.732
   23   2HB   LEU   3          1HB       LEU   3  -5.015  -0.615  -3.297
   24    HG   LEU   3           HG       LEU   3  -7.289   0.269  -1.537
   25   1HD1  LEU   3          1HD1      LEU   3  -5.141   2.110  -2.343
   26   2HD1  LEU   3          2HD1      LEU   3  -4.690   0.847  -1.197
   27   3HD1  LEU   3          3HD1      LEU   3  -6.001   1.962  -0.811
   28   1HD2  LEU   3          1HD2      LEU   3  -6.577   0.844  -4.358
   29   2HD2  LEU   3          2HD2      LEU   3  -7.123   2.195  -3.363
   30   3HD2  LEU   3          3HD2      LEU   3  -8.157   0.783  -3.577
   31    H    ALA   4           H        ALA   4  -5.851  -2.489  -5.592
   32    HA   ALA   4           HA       ALA   4  -5.268  -5.233  -5.002
   33   1HB   ALA   4          1HB       ALA   4  -5.608  -5.395  -7.183
   34   2HB   ALA   4          2HB       ALA   4  -4.102  -4.523  -7.466
   35   3HB   ALA   4          3HB       ALA   4  -5.622  -3.639  -7.339
   36    H    GLU   5           H        GLU   5  -2.993  -5.745  -6.423
   37    HA   GLU   5           HA       GLU   5  -0.981  -5.172  -4.514
   38   1HB   GLU   5          2HB       GLU   5  -1.144  -7.301  -5.769
   39   2HB   GLU   5          1HB       GLU   5  -0.715  -6.441  -7.241
   40   1HG   GLU   5          2HG       GLU   5   1.456  -5.920  -6.370
   41   2HG   GLU   5          1HG       GLU   5   1.029  -6.590  -4.795
   42    H    ALA   6           H        ALA   6   0.578  -3.753  -4.528
   43    HA   ALA   6           HA       ALA   6   1.844  -1.944  -5.016
   44   1HB   ALA   6          1HB       ALA   6   1.569  -3.279  -7.637
   45   2HB   ALA   6          2HB       ALA   6   3.016  -2.793  -6.754
   46   3HB   ALA   6          3HB       ALA   6   2.096  -1.596  -7.665
   47    H    ALA   7           H        ALA   7  -0.741  -1.418  -4.364
   48    HA   ALA   7           HA       ALA   7  -1.404   0.808  -6.192
   49   1HB   ALA   7          1HB       ALA   7  -3.359  -0.222  -6.489
   50   2HB   ALA   7          2HB       ALA   7  -3.747   0.285  -4.845
   51   3HB   ALA   7          3HB       ALA   7  -3.082  -1.321  -5.138
   52    H    ASP   8           H        ASP   8  -1.201   2.758  -5.330
   53    HA   ASP   8           HA       ASP   8  -0.436   3.258  -2.703
   54   1HB   ASP   8          2HB       ASP   8  -1.597   5.059  -4.814
   55   2HB   ASP   8          1HB       ASP   8  -1.103   5.660  -3.233
   56    H    CYS   9           H        CYS   9  -1.448   3.560  -0.839
   57    HA   CYS   9           HA       CYS   9  -4.357   3.301  -0.846
   58   1HB   CYS   9          2HB       CYS   9  -4.182   2.710   1.491
   59   2HB   CYS   9          1HB       CYS   9  -3.042   1.753   0.564
   60    H    SER  10           H        SER  10  -5.168   4.419   1.411
   61    HA   SER  10           HA       SER  10  -4.193   7.094   1.763
   62   1HB   SER  10          2HB       SER  10  -5.530   7.257  -0.362
   63   2HB   SER  10          1HB       SER  10  -6.947   6.737   0.547
   64    HG   SER  10           HG       SER  10  -6.161   9.167   0.240
   65    HA   PRO  11           HA       PRO  11  -5.834   6.194   5.744
   66   1HB   PRO  11          2HB       PRO  11  -6.134   8.789   6.629
   67   2HB   PRO  11          1HB       PRO  11  -4.615   7.888   6.643
   68   1HG   PRO  11          2HG       PRO  11  -5.608   9.907   4.677
   69   2HG   PRO  11          1HG       PRO  11  -3.972   9.674   5.318
   70   1HD   PRO  11          2HD       PRO  11  -4.665   8.831   2.867
   71   2HD   PRO  11          1HD       PRO  11  -3.514   7.932   3.876
   72    H    TRP  12           H        TRP  12  -7.532   8.512   3.677
   73    HA   TRP  12           HA       TRP  12 -10.054   7.542   4.822
   74   1HB   TRP  12          2HB       TRP  12  -9.479  10.463   4.274
   75   2HB   TRP  12          1HB       TRP  12 -11.008   9.798   4.834
   76    HD1  TRP  12           HD       TRP  12 -10.937   8.689   7.385
   77    HE1  TRP  12           1HE      TRP  12  -9.602   9.471   9.441
   78    HE3  TRP  12           3HE      TRP  12  -7.414  11.547   5.027
   79    HZ2  TRP  12           2HZ      TRP  12  -7.358  11.092   9.992
   80    HZ3  TRP  12           3HZ      TRP  12  -5.713  12.684   6.392
   81    HH2  TRP  12           HH       TRP  12  -5.686  12.461   8.823
   82    H    SER  13           H        SER  13  -8.665   9.574   2.250
   83    HA   SER  13           HA       SER  13 -10.882   9.107   0.492
   84   1HB   SER  13          2HB       SER  13  -8.197  10.316  -0.190
   85   2HB   SER  13          1HB       SER  13  -9.726  10.547  -1.040
   86    HG   SER  13           HG       SER  13 -10.497  11.720   0.681
   87    H    GLY  14           H        GLY  14 -10.054   6.613   1.091
   88   1HA   GLY  14          2HA       GLY  14  -9.556   5.466  -1.415
   89   2HA   GLY  14          1HA       GLY  14  -8.029   5.543  -0.549
   90    H    ASP  15           H        ASP  15  -9.878   3.325  -1.413
   91    HA   ASP  15           HA       ASP  15 -10.958   2.100   0.890
   92   1HB   ASP  15          2HB       ASP  15 -10.317   1.195  -1.884
   93   2HB   ASP  15          1HB       ASP  15 -10.679  -0.020  -0.667
   94    H    SER  16           H        SER  16 -10.218  -0.014   1.743
   95    HA   SER  16           HA       SER  16  -7.463   0.181   2.547
   96   1HB   SER  16          2HB       SER  16  -9.473  -1.993   3.174
   97   2HB   SER  16          1HB       SER  16  -7.977  -1.653   4.044
   98    HG   SER  16           HG       SER  16  -9.462   0.576   3.905
   99    H    CYS  17           H        CYS  17  -5.907  -1.514   2.268
  100    HA   CYS  17           HA       CYS  17  -5.731  -2.480  -0.369
  101   1HB   CYS  17          2HB       CYS  17  -4.195  -3.577   1.989
  102   2HB   CYS  17          1HB       CYS  17  -3.686  -3.508   0.306
  103    H    CYS  18           H        CYS  18  -6.017  -4.528  -1.248
  104    HA   CYS  18           HA       CYS  18  -7.951  -6.241  -0.062
  105   1HB   CYS  18          2HB       CYS  18  -6.017  -6.822  -2.328
  106   2HB   CYS  18          1HB       CYS  18  -7.400  -7.813  -1.899
  107    H    LYS  19           H        LYS  19  -7.664  -8.224   0.946
  108    HA   LYS  19           HA       LYS  19  -5.209  -8.440   2.393
  109   1HB   LYS  19          2HB       LYS  19  -6.248 -10.126   3.662
  110   2HB   LYS  19          1HB       LYS  19  -7.504  -8.967   3.314
  111   1HG   LYS  19          2HG       LYS  19  -7.091 -11.544   1.811
  112   2HG   LYS  19          1HG       LYS  19  -8.238 -11.325   3.130
  113   1HD   LYS  19          2HD       LYS  19  -9.615  -9.942   1.869
  114   2HD   LYS  19          1HD       LYS  19  -8.324  -9.524   0.739
  115   1HE   LYS  19          2HE       LYS  19  -9.617 -12.241   0.977
  116   2HE   LYS  19          1HE       LYS  19 -10.011 -11.034  -0.249
  117   1HZ   LYS  19          1HZ       LYS  19  -8.361 -11.825  -1.475
  118   2HZ   LYS  19          2HZ       LYS  19  -7.943 -12.939  -0.273
  119   3HZ   LYS  19          3HZ       LYS  19  -7.239 -11.396  -0.278
  120    HA   PRO  20           HA       PRO  20  -4.128  -9.521   3.358
  121   1HB   PRO  20          2HB       PRO  20  -1.881 -10.886   3.836
  122   2HB   PRO  20          1HB       PRO  20  -3.455 -11.691   3.847
  123   1HG   PRO  20          2HG       PRO  20  -1.275 -11.866   1.863
  124   2HG   PRO  20          1HG       PRO  20  -2.586 -13.009   2.194
  125   1HD   PRO  20          2HD       PRO  20  -2.438 -10.958   0.138
  126   2HD   PRO  20          1HD       PRO  20  -3.675 -12.213   0.368
  127    H    TYR  21           H        TYR  21  -3.315  -8.102   0.823
  128    HA   TYR  21           HA       TYR  21  -0.562  -7.444   0.985
  129   1HB   TYR  21          2HB       TYR  21  -2.790  -5.840  -0.301
  130   2HB   TYR  21          1HB       TYR  21  -1.066  -5.592  -0.532
  131    HD1  TYR  21           1HD      TYR  21   0.141  -6.812  -2.102
  132    HD2  TYR  21           2HD      TYR  21  -3.803  -8.048  -1.111
  133    HE1  TYR  21           1HE      TYR  21   0.180  -8.403  -3.966
  134    HE2  TYR  21           2HE      TYR  21  -3.774  -9.651  -2.980
  135    HH   TYR  21           HH       TYR  21  -0.979  -9.836  -5.183
  136    H    LEU  22           H        LEU  22   0.442  -5.565   1.675
  137    HA   LEU  22           HA       LEU  22  -1.023  -4.057   3.742
  138   1HB   LEU  22          2HB       LEU  22   0.510  -5.678   4.739
  139   2HB   LEU  22          1HB       LEU  22   1.830  -5.045   3.777
  140    HG   LEU  22           HG       LEU  22   1.516  -2.847   4.988
  141   1HD1  LEU  22          1HD1      LEU  22  -0.251  -4.576   6.708
  142   2HD1  LEU  22          2HD1      LEU  22  -0.725  -3.139   5.801
  143   3HD1  LEU  22          3HD1      LEU  22   0.369  -2.993   7.178
  144   1HD2  LEU  22          1HD2      LEU  22   3.321  -4.400   5.527
  145   2HD2  LEU  22          2HD2      LEU  22   2.255  -5.266   6.632
  146   3HD2  LEU  22          3HD2      LEU  22   2.717  -3.600   6.977
  147    H    CYS  23           H        CYS  23  -0.825  -1.860   3.650
  148    HA   CYS  23           HA       CYS  23   0.488  -0.716   1.373
  149   1HB   CYS  23          2HB       CYS  23  -1.673   0.156   2.422
  150   2HB   CYS  23          1HB       CYS  23  -0.658   0.839   3.690
  151    H    SER  24           H        SER  24   2.518  -0.130   1.247
  152    HA   SER  24           HA       SER  24   3.949   0.512   3.733
  153   1HB   SER  24          2HB       SER  24   5.958  -0.524   2.359
  154   2HB   SER  24          1HB       SER  24   4.855  -1.564   3.254
  155    HG   SER  24           HG       SER  24   3.751  -1.970   1.338
  156    H    CYS  25           H        CYS  25   4.981   2.391   3.715
  157    HA   CYS  25           HA       CYS  25   5.103   3.879   1.195
  158   1HB   CYS  25          2HB       CYS  25   4.115   4.596   3.669
  159   2HB   CYS  25          1HB       CYS  25   5.708   5.342   3.662
  160    H    ILE  26           H        ILE  26   7.017   2.627   0.599
  161    HA   ILE  26           HA       ILE  26   9.425   3.102   2.138
  162    HB   ILE  26           HB       ILE  26  10.585   1.810   0.344
  163   1HG1  ILE  26          2HG1      ILE  26   8.731   2.351  -1.389
  164   2HG1  ILE  26          1HG1      ILE  26   9.471   0.757  -1.415
  165   1HG2  ILE  26          1HG2      ILE  26   8.492   0.798   2.142
  166   2HG2  ILE  26          2HG2      ILE  26  10.209   0.404   2.049
  167   3HG2  ILE  26          3HG2      ILE  26   9.073  -0.334   0.919
  168   1HD1  ILE  26          1HD1      ILE  26   6.986   0.807  -1.706
  169   2HD1  ILE  26          2HD1      ILE  26   6.869   1.346  -0.030
  170   3HD1  ILE  26          3HD1      ILE  26   7.567  -0.231  -0.403
  171    H    PHE  27           H        PHE  27  11.356   3.392   0.245
  172    HA   PHE  27           HA       PHE  27  11.063   6.194  -0.386
  173   1HB   PHE  27          2HB       PHE  27  13.378   4.283  -0.667
  174   2HB   PHE  27          1HB       PHE  27  13.465   5.983  -1.109
  175    HD1  PHE  27           1HD      PHE  27  14.417   7.384   0.417
  176    HD2  PHE  27           2HD      PHE  27  12.379   3.924   1.826
  177    HE1  PHE  27           1HE      PHE  27  15.042   7.960   2.725
  178    HE2  PHE  27           2HE      PHE  27  12.996   4.497   4.137
  179    HZ   PHE  27           HZ       PHE  27  14.329   6.517   4.589
  180    H    PHE  28           H        PHE  28  11.847   3.253  -2.219
  181    HA   PHE  28           HA       PHE  28  11.918   4.508  -4.745
  182   1HB   PHE  28          2HB       PHE  28  11.597   1.621  -3.932
  183   2HB   PHE  28          1HB       PHE  28  11.674   2.128  -5.615
  184    HD1  PHE  28           1HD      PHE  28  13.695   1.743  -6.591
  185    HD2  PHE  28           2HD      PHE  28  13.602   2.904  -2.497
  186    HE1  PHE  28           1HE      PHE  28  16.152   1.651  -6.511
  187    HE2  PHE  28           2HE      PHE  28  16.058   2.817  -2.412
  188    HZ   PHE  28           HZ       PHE  28  17.337   2.191  -4.422
  189    H    TYR  29           H        TYR  29   9.334   3.283  -2.821
  190    HA   TYR  29           HA       TYR  29   7.423   4.110  -4.888
  191   1HB   TYR  29          2HB       TYR  29   7.231   1.542  -3.285
  192   2HB   TYR  29          1HB       TYR  29   5.950   2.189  -4.297
  193    HD1  TYR  29           1HD      TYR  29   5.893   1.746  -6.609
  194    HD2  TYR  29           2HD      TYR  29   9.379   0.782  -4.371
  195    HE1  TYR  29           1HE      TYR  29   6.763   0.473  -8.523
  196    HE2  TYR  29           2HE      TYR  29  10.263  -0.486  -6.283
  197    HH   TYR  29           HH       TYR  29   9.445  -0.196  -9.225
  198    HA   PRO  30           HA       PRO  30   5.806   6.299  -1.395
  199   1HB   PRO  30          2HB       PRO  30   3.292   6.810  -2.345
  200   2HB   PRO  30          1HB       PRO  30   4.730   7.711  -2.836
  201   1HG   PRO  30          2HG       PRO  30   3.299   5.505  -4.247
  202   2HG   PRO  30          1HG       PRO  30   4.035   6.972  -4.914
  203   1HD   PRO  30          2HD       PRO  30   5.221   4.531  -5.037
  204   2HD   PRO  30          1HD       PRO  30   6.137   6.049  -4.954
  205    H    CYS  31           H        CYS  31   3.114   6.288  -0.621
  206    HA   CYS  31           HA       CYS  31   2.994   3.932   0.953
  207   1HB   CYS  31          2HB       CYS  31   1.014   6.152   0.458
  208   2HB   CYS  31          1HB       CYS  31   0.683   4.811   1.543
  209    H    SER  32           H        SER  32   3.075   2.338  -0.806
  210    HA   SER  32           HA       SER  32   0.451   1.971  -2.068
  211   1HB   SER  32          2HB       SER  32   1.864   0.467  -3.657
  212   2HB   SER  32          1HB       SER  32   1.952   2.213  -3.844
  213    HG   SER  32           HG       SER  32   3.874   2.190  -2.623
  214    H    CYS  33           H        CYS  33  -0.594   0.050  -1.979
  215    HA   CYS  33           HA       CYS  33   0.092  -1.760   0.130
  216   1HB   CYS  33          2HB       CYS  33  -1.928  -2.271  -2.062
  217   2HB   CYS  33          1HB       CYS  33  -1.886  -2.967  -0.456
  218    H    ARG  34           H        ARG  34   1.571  -3.264  -0.048
  219    HA   ARG  34           HA       ARG  34   2.101  -4.447  -2.700
  220   1HB   ARG  34          2HB       ARG  34   4.190  -4.310  -0.530
  221   2HB   ARG  34          1HB       ARG  34   4.411  -4.529  -2.258
  222   1HG   ARG  34          2HG       ARG  34   3.664  -1.977  -0.846
  223   2HG   ARG  34          1HG       ARG  34   5.210  -2.362  -1.596
  224   1HD   ARG  34          2HD       ARG  34   2.581  -2.127  -3.058
  225   2HD   ARG  34          1HD       ARG  34   3.801  -0.861  -2.965
  226    HE   ARG  34           HE       ARG  34   3.762  -3.036  -4.752
  227   1HH1  ARG  34          1HH1      ARG  34   5.968  -1.081  -2.872
  228   2HH1  ARG  34          2HH1      ARG  34   7.336  -1.418  -3.882
  229   1HH2  ARG  34          1HH2      ARG  34   5.560  -3.489  -6.098
  230   2HH2  ARG  34          2HH2      ARG  34   7.103  -2.790  -5.728
  231    HA   PRO  35           HA       PRO  35   1.248  -8.465  -1.116
  232   1HB   PRO  35          2HB       PRO  35   4.067  -9.286  -1.537
  233   2HB   PRO  35          1HB       PRO  35   2.576 -10.022  -2.130
  234   1HG   PRO  35          2HG       PRO  35   4.201  -8.576  -3.723
  235   2HG   PRO  35          1HG       PRO  35   2.444  -8.624  -3.942
  236   1HD   PRO  35          2HD       PRO  35   4.157  -6.455  -2.879
  237   2HD   PRO  35          1HD       PRO  35   2.583  -6.362  -3.688
  238    H    LYS  36           H        LYS  36   1.466  -9.726   0.757
  239    HA   LYS  36           HA       LYS  36   2.773  -8.386   2.936
  240   1HB   LYS  36          2HB       LYS  36   0.536  -9.611   3.035
  241   2HB   LYS  36          1HB       LYS  36   1.459 -11.107   2.994
  242   1HG   LYS  36          2HG       LYS  36   0.847 -10.550   5.265
  243   2HG   LYS  36          1HG       LYS  36   2.599 -10.450   5.063
  244   1HD   LYS  36          2HD       LYS  36   2.517  -8.061   4.952
  245   2HD   LYS  36          1HD       LYS  36   0.754  -8.072   4.894
  246   1HE   LYS  36          2HE       LYS  36   2.425  -9.038   7.211
  247   2HE   LYS  36          1HE       LYS  36   1.634  -7.465   7.118
  248   1HZ   LYS  36          1HZ       LYS  36   0.228  -8.871   8.362
  249   2HZ   LYS  36          2HZ       LYS  36   0.348 -10.132   7.241
  250   3HZ   LYS  36          3HZ       LYS  36  -0.498  -8.723   6.840
  251    H    GLY  37           H        GLY  37   4.889  -8.538   3.070
  252   1HA   GLY  37          2HA       GLY  37   6.884  -9.667   3.623
  253   2HA   GLY  37          1HA       GLY  37   6.139 -11.181   3.112
  254    H    TRP  38           H        TRP  38   6.458  -8.062   1.506
  255    HA   TRP  38           HA       TRP  38   7.051  -9.179  -1.018
  256   1HB   TRP  38          2HB       TRP  38   7.255  -6.900  -1.775
  257   2HB   TRP  38          1HB       TRP  38   5.930  -6.963  -0.620
  258    HD1  TRP  38           HD       TRP  38   9.546  -5.718  -0.946
  259    HE1  TRP  38           1HE      TRP  38   9.969  -3.911   0.829
  260    HE3  TRP  38           3HE      TRP  38   5.122  -6.018   1.605
  261    HZ2  TRP  38           2HZ      TRP  38   8.616  -2.761   3.017
  262    HZ3  TRP  38           3HZ      TRP  38   4.771  -4.534   3.529
  263    HH2  TRP  38           HH       TRP  38   6.483  -2.936   4.218
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1 -14.208   0.009   0.010
    2   2H    LYS   1          2HT       LYS   1 -14.641   0.449  -1.562
    3   3H    LYS   1          3HT       LYS   1 -13.094   0.825  -0.972
    4    HA   LYS   1           HA       LYS   1 -13.988  -1.985  -1.102
    5   1HB   LYS   1          2HB       LYS   1 -13.348  -2.194  -3.361
    6   2HB   LYS   1          1HB       LYS   1 -14.296  -0.715  -3.333
    7   1HG   LYS   1          2HG       LYS   1 -12.152   0.563  -3.198
    8   2HG   LYS   1          1HG       LYS   1 -11.296  -0.960  -3.441
    9   1HD   LYS   1          2HD       LYS   1 -11.405  -0.289  -5.608
   10   2HD   LYS   1          1HD       LYS   1 -12.968  -1.100  -5.514
   11   1HE   LYS   1          2HE       LYS   1 -13.312   1.016  -6.563
   12   2HE   LYS   1          1HE       LYS   1 -13.989   1.109  -4.938
   13   1HZ   LYS   1          1HZ       LYS   1 -11.866   2.184  -4.237
   14   2HZ   LYS   1          2HZ       LYS   1 -12.768   3.094  -5.349
   15   3HZ   LYS   1          3HZ       LYS   1 -11.407   2.240  -5.868
   16    H    CYS   2           H        CYS   2 -11.647  -2.966  -2.148
   17    HA   CYS   2           HA       CYS   2  -9.659  -1.853  -0.305
   18   1HB   CYS   2          2HB       CYS   2  -8.718  -4.029   0.090
   19   2HB   CYS   2          1HB       CYS   2 -10.423  -4.050   0.477
   20    H    LEU   3           H        LEU   3  -7.540  -1.898  -0.898
   21    HA   LEU   3           HA       LEU   3  -7.127  -1.496  -3.731
   22   1HB   LEU   3          2HB       LEU   3  -5.250  -1.219  -1.388
   23   2HB   LEU   3          1HB       LEU   3  -4.929  -0.680  -3.018
   24    HG   LEU   3           HG       LEU   3  -7.124   0.389  -1.252
   25   1HD1  LEU   3          1HD1      LEU   3  -4.817   2.046  -2.091
   26   2HD1  LEU   3          2HD1      LEU   3  -4.549   0.860  -0.813
   27   3HD1  LEU   3          3HD1      LEU   3  -5.784   2.105  -0.616
   28   1HD2  LEU   3          1HD2      LEU   3  -6.754   0.513  -4.057
   29   2HD2  LEU   3          2HD2      LEU   3  -6.413   2.113  -3.399
   30   3HD2  LEU   3          3HD2      LEU   3  -7.963   1.338  -3.072
   31    H    ALA   4           H        ALA   4  -6.216  -2.926  -5.081
   32    HA   ALA   4           HA       ALA   4  -5.466  -5.522  -4.108
   33   1HB   ALA   4          1HB       ALA   4  -6.721  -5.177  -6.214
   34   2HB   ALA   4          2HB       ALA   4  -5.256  -6.136  -6.424
   35   3HB   ALA   4          3HB       ALA   4  -5.277  -4.443  -6.915
   36    H    GLU   5           H        GLU   5  -3.456  -6.235  -5.890
   37    HA   GLU   5           HA       GLU   5  -1.171  -5.359  -4.464
   38   1HB   GLU   5          2HB       GLU   5   0.039  -6.739  -6.261
   39   2HB   GLU   5          1HB       GLU   5  -1.045  -7.572  -5.158
   40   1HG   GLU   5          2HG       GLU   5  -2.814  -7.287  -6.985
   41   2HG   GLU   5          1HG       GLU   5  -1.456  -6.906  -8.045
   42    H    ALA   6           H        ALA   6   0.221  -3.882  -4.857
   43    HA   ALA   6           HA       ALA   6   1.322  -2.116  -5.721
   44   1HB   ALA   6          1HB       ALA   6   0.552  -2.698  -8.530
   45   2HB   ALA   6          2HB       ALA   6   1.519  -3.904  -7.681
   46   3HB   ALA   6          3HB       ALA   6   2.119  -2.254  -7.851
   47    H    ALA   7           H        ALA   7  -1.272  -1.759  -4.815
   48    HA   ALA   7           HA       ALA   7  -2.370   0.216  -6.710
   49   1HB   ALA   7          1HB       ALA   7  -3.601  -1.701  -4.944
   50   2HB   ALA   7          2HB       ALA   7  -4.319  -0.742  -6.238
   51   3HB   ALA   7          3HB       ALA   7  -4.186  -0.070  -4.613
   52    H    ASP   8           H        ASP   8  -2.226   2.332  -6.253
   53    HA   ASP   8           HA       ASP   8  -0.657   3.288  -4.149
   54   1HB   ASP   8          2HB       ASP   8  -1.442   5.533  -4.814
   55   2HB   ASP   8          1HB       ASP   8  -0.950   4.561  -6.195
   56    H    CYS   9           H        CYS   9  -1.064   4.120  -2.163
   57    HA   CYS   9           HA       CYS   9  -3.734   3.574  -1.098
   58   1HB   CYS   9          2HB       CYS   9  -1.368   4.376   0.561
   59   2HB   CYS   9          1HB       CYS   9  -2.792   3.474   1.048
   60    H    SER  10           H        SER  10  -4.825   5.081   0.191
   61    HA   SER  10           HA       SER  10  -4.540   7.798  -0.719
   62   1HB   SER  10          2HB       SER  10  -6.448   6.704   1.359
   63   2HB   SER  10          1HB       SER  10  -6.618   8.194   0.427
   64    HG   SER  10           HG       SER  10  -6.316   6.276  -1.333
   65    HA   PRO  11           HA       PRO  11  -1.785   8.987   2.552
   66   1HB   PRO  11          2HB       PRO  11  -2.116  11.697   2.284
   67   2HB   PRO  11          1HB       PRO  11  -1.076  10.714   1.248
   68   1HG   PRO  11          2HG       PRO  11  -3.864  11.686   0.758
   69   2HG   PRO  11          1HG       PRO  11  -2.487  11.635  -0.354
   70   1HD   PRO  11          2HD       PRO  11  -4.432   9.796  -0.451
   71   2HD   PRO  11          1HD       PRO  11  -2.737   9.370  -0.766
   72    H    TRP  12           H        TRP  12  -4.753  11.000   2.410
   73    HA   TRP  12           HA       TRP  12  -4.703  11.338   5.266
   74   1HB   TRP  12          2HB       TRP  12  -6.790  12.167   3.240
   75   2HB   TRP  12          1HB       TRP  12  -6.778  12.639   4.936
   76    HD1  TRP  12           HD       TRP  12  -4.733  14.295   5.709
   77    HE1  TRP  12           1HE      TRP  12  -3.466  16.086   4.365
   78    HE3  TRP  12           3HE      TRP  12  -5.952  12.778   0.981
   79    HZ2  TRP  12           2HZ      TRP  12  -3.046  16.772   1.661
   80    HZ3  TRP  12           3HZ      TRP  12  -5.081  14.061  -0.930
   81    HH2  TRP  12           HH       TRP  12  -3.658  16.017  -0.595
   82    H    SER  13           H        SER  13  -6.955   9.823   2.972
   83    HA   SER  13           HA       SER  13  -7.476   7.582   4.582
   84   1HB   SER  13          2HB       SER  13  -8.644   9.370   5.951
   85   2HB   SER  13          1HB       SER  13  -9.742   9.592   4.590
   86    HG   SER  13           HG       SER  13  -9.545   7.496   6.403
   87    H    GLY  14           H        GLY  14  -8.878   6.105   3.532
   88   1HA   GLY  14          2HA       GLY  14 -10.563   6.619   1.397
   89   2HA   GLY  14          1HA       GLY  14  -8.963   6.378   0.711
   90    H    ASP  15           H        ASP  15  -9.320   4.458  -0.293
   91    HA   ASP  15           HA       ASP  15 -10.643   2.261   0.959
   92   1HB   ASP  15          2HB       ASP  15  -9.058   2.576  -1.564
   93   2HB   ASP  15          1HB       ASP  15  -9.506   0.979  -1.000
   94    H    SER  16           H        SER  16  -9.792   0.417   1.805
   95    HA   SER  16           HA       SER  16  -7.061   0.644   2.825
   96   1HB   SER  16          2HB       SER  16  -9.155  -1.396   3.593
   97   2HB   SER  16          1HB       SER  16  -7.697  -0.961   4.485
   98    HG   SER  16           HG       SER  16  -9.201   1.226   4.027
   99    H    CYS  17           H        CYS  17  -5.572  -1.108   2.613
  100    HA   CYS  17           HA       CYS  17  -5.533  -2.321   0.075
  101   1HB   CYS  17          2HB       CYS  17  -3.960  -3.113   2.538
  102   2HB   CYS  17          1HB       CYS  17  -3.561  -3.524   0.875
  103    H    CYS  18           H        CYS  18  -5.924  -4.414  -0.607
  104    HA   CYS  18           HA       CYS  18  -7.866  -5.950   0.817
  105   1HB   CYS  18          2HB       CYS  18  -6.143  -6.808  -1.530
  106   2HB   CYS  18          1HB       CYS  18  -7.604  -7.606  -0.972
  107    H    LYS  19           H        LYS  19  -7.583  -7.854   1.925
  108    HA   LYS  19           HA       LYS  19  -5.005  -8.156   3.140
  109   1HB   LYS  19          2HB       LYS  19  -6.136  -9.968   4.425
  110   2HB   LYS  19          1HB       LYS  19  -6.920  -8.407   4.553
  111   1HG   LYS  19          2HG       LYS  19  -8.634  -9.095   3.003
  112   2HG   LYS  19          1HG       LYS  19  -7.810 -10.631   2.726
  113   1HD   LYS  19          2HD       LYS  19  -9.653 -10.955   4.261
  114   2HD   LYS  19          1HD       LYS  19  -8.124 -11.197   5.106
  115   1HE   LYS  19          2HE       LYS  19  -9.607  -9.916   6.506
  116   2HE   LYS  19          1HE       LYS  19  -8.283  -8.884   5.973
  117   1HZ   LYS  19          1HZ       LYS  19 -10.984  -8.390   5.725
  118   2HZ   LYS  19          2HZ       LYS  19 -10.455  -8.740   4.157
  119   3HZ   LYS  19          3HZ       LYS  19  -9.720  -7.499   5.040
  120    HA   PRO  20           HA       PRO  20  -3.796  -9.289   4.005
  121   1HB   PRO  20          2HB       PRO  20  -1.638 -10.842   4.216
  122   2HB   PRO  20          1HB       PRO  20  -3.254 -11.485   4.527
  123   1HG   PRO  20          2HG       PRO  20  -1.449 -11.980   2.247
  124   2HG   PRO  20          1HG       PRO  20  -2.790 -12.964   2.852
  125   1HD   PRO  20          2HD       PRO  20  -2.781 -11.043   0.668
  126   2HD   PRO  20          1HD       PRO  20  -4.073 -12.157   1.162
  127    H    TYR  21           H        TYR  21  -3.296  -8.067   1.308
  128    HA   TYR  21           HA       TYR  21  -0.492  -7.655   1.022
  129   1HB   TYR  21          2HB       TYR  21  -2.734  -5.915  -0.054
  130   2HB   TYR  21          1HB       TYR  21  -1.054  -5.900  -0.568
  131    HD1  TYR  21           1HD      TYR  21  -0.342  -7.244  -2.316
  132    HD2  TYR  21           2HD      TYR  21  -4.038  -8.137  -0.412
  133    HE1  TYR  21           1HE      TYR  21  -0.814  -8.933  -4.036
  134    HE2  TYR  21           2HE      TYR  21  -4.519  -9.831  -2.126
  135    HH   TYR  21           HH       TYR  21  -2.512 -10.192  -4.980
  136    H    LEU  22           H        LEU  22   0.727  -5.809   1.449
  137    HA   LEU  22           HA       LEU  22  -0.336  -4.133   3.628
  138   1HB   LEU  22          2HB       LEU  22   1.327  -5.697   4.449
  139   2HB   LEU  22          1HB       LEU  22   2.453  -5.203   3.200
  140    HG   LEU  22           HG       LEU  22   2.505  -2.924   4.236
  141   1HD1  LEU  22          1HD1      LEU  22   1.654  -3.602   6.844
  142   2HD1  LEU  22          2HD1      LEU  22   0.341  -4.001   5.735
  143   3HD1  LEU  22          3HD1      LEU  22   1.005  -2.366   5.764
  144   1HD2  LEU  22          1HD2      LEU  22   4.159  -3.497   5.726
  145   2HD2  LEU  22          2HD2      LEU  22   4.055  -4.963   4.750
  146   3HD2  LEU  22          3HD2      LEU  22   3.279  -4.900   6.332
  147    H    CYS  23           H        CYS  23  -0.133  -1.965   3.418
  148    HA   CYS  23           HA       CYS  23   0.692  -0.910   0.888
  149   1HB   CYS  23          2HB       CYS  23  -1.221   0.071   2.048
  150   2HB   CYS  23          1HB       CYS  23  -0.189   0.509   3.405
  151    H    SER  24           H        SER  24   2.739  -0.602   0.371
  152    HA   SER  24           HA       SER  24   4.702  -0.134   2.455
  153   1HB   SER  24          2HB       SER  24   6.338  -0.175   0.580
  154   2HB   SER  24          1HB       SER  24   5.333  -1.620   0.636
  155    HG   SER  24           HG       SER  24   4.723   0.616  -0.992
  156    H    CYS  25           H        CYS  25   4.550   1.837   3.252
  157    HA   CYS  25           HA       CYS  25   4.353   4.113   1.397
  158   1HB   CYS  25          2HB       CYS  25   2.619   3.662   3.309
  159   2HB   CYS  25          1HB       CYS  25   3.871   4.310   4.358
  160    H    ILE  26           H        ILE  26   6.756   3.148   1.357
  161    HA   ILE  26           HA       ILE  26   8.338   4.656   3.321
  162    HB   ILE  26           HB       ILE  26  10.239   3.168   2.651
  163   1HG1  ILE  26          2HG1      ILE  26   8.144   1.343   1.480
  164   2HG1  ILE  26          1HG1      ILE  26   9.043   2.474   0.470
  165   1HG2  ILE  26          1HG2      ILE  26   9.705   2.091   4.514
  166   2HG2  ILE  26          2HG2      ILE  26   8.520   1.122   3.635
  167   3HG2  ILE  26          3HG2      ILE  26   8.043   2.659   4.358
  168   1HD1  ILE  26          1HD1      ILE  26  10.513   0.818   0.247
  169   2HD1  ILE  26          2HD1      ILE  26   9.860  -0.065   1.629
  170   3HD1  ILE  26          3HD1      ILE  26  11.030   1.231   1.882
  171    H    PHE  27           H        PHE  27  10.726   4.808   2.097
  172    HA   PHE  27           HA       PHE  27  10.291   6.938   0.231
  173   1HB   PHE  27          2HB       PHE  27  12.811   5.672   1.300
  174   2HB   PHE  27          1HB       PHE  27  12.801   7.051   0.210
  175    HD1  PHE  27           1HD      PHE  27  11.118   6.053   3.403
  176    HD2  PHE  27           2HD      PHE  27  13.123   9.088   1.193
  177    HE1  PHE  27           1HE      PHE  27  10.929   7.573   5.326
  178    HE2  PHE  27           2HE      PHE  27  12.938  10.613   3.114
  179    HZ   PHE  27           HZ       PHE  27  11.839   9.856   5.185
  180    H    PHE  28           H        PHE  28  12.145   3.903   0.011
  181    HA   PHE  28           HA       PHE  28  12.684   4.131  -2.740
  182   1HB   PHE  28          2HB       PHE  28  12.726   1.760  -0.874
  183   2HB   PHE  28          1HB       PHE  28  13.199   1.645  -2.566
  184    HD1  PHE  28           1HD      PHE  28  13.908   3.940   0.308
  185    HD2  PHE  28           2HD      PHE  28  15.447   1.651  -2.933
  186    HE1  PHE  28           1HE      PHE  28  16.188   4.660   0.887
  187    HE2  PHE  28           2HE      PHE  28  17.729   2.367  -2.359
  188    HZ   PHE  28           HZ       PHE  28  18.102   3.874  -0.448
  189    H    TYR  29           H        TYR  29  10.036   2.717  -0.979
  190    HA   TYR  29           HA       TYR  29   8.789   1.977  -3.544
  191   1HB   TYR  29          2HB       TYR  29   8.422   0.783  -0.792
  192   2HB   TYR  29          1HB       TYR  29   7.300   0.490  -2.111
  193    HD1  TYR  29           1HD      TYR  29   7.519  -1.612  -2.965
  194    HD2  TYR  29           2HD      TYR  29  11.047   0.461  -1.805
  195    HE1  TYR  29           1HE      TYR  29   8.876  -3.523  -3.704
  196    HE2  TYR  29           2HE      TYR  29  12.415  -1.444  -2.546
  197    HH   TYR  29           HH       TYR  29  11.148  -4.478  -3.168
  198    HA   PRO  30           HA       PRO  30   6.214   5.548  -2.599
  199   1HB   PRO  30          2HB       PRO  30   4.696   4.381  -4.876
  200   2HB   PRO  30          1HB       PRO  30   5.280   6.031  -4.643
  201   1HG   PRO  30          2HG       PRO  30   6.491   4.395  -6.359
  202   2HG   PRO  30          1HG       PRO  30   7.430   5.511  -5.347
  203   1HD   PRO  30          2HD       PRO  30   7.007   2.566  -5.035
  204   2HD   PRO  30          1HD       PRO  30   8.471   3.530  -4.751
  205    H    CYS  31           H        CYS  31   4.376   5.757  -1.425
  206    HA   CYS  31           HA       CYS  31   3.289   3.667  -0.032
  207   1HB   CYS  31          2HB       CYS  31   1.941   6.289  -0.677
  208   2HB   CYS  31          1HB       CYS  31   1.515   5.202   0.645
  209    H    SER  32           H        SER  32   2.631   1.935  -1.105
  210    HA   SER  32           HA       SER  32   0.007   2.006  -2.262
  211   1HB   SER  32          2HB       SER  32   0.843   0.757  -4.354
  212   2HB   SER  32          1HB       SER  32   1.103   2.499  -4.302
  213    HG   SER  32           HG       SER  32   3.244   1.869  -3.354
  214    H    CYS  33           H        CYS  33  -0.990  -0.014  -2.201
  215    HA   CYS  33           HA       CYS  33   0.063  -1.846  -0.321
  216   1HB   CYS  33          2HB       CYS  33  -2.162  -2.516  -2.227
  217   2HB   CYS  33          1HB       CYS  33  -1.911  -3.084  -0.587
  218    H    ARG  34           H        ARG  34   1.370  -3.435  -0.565
  219    HA   ARG  34           HA       ARG  34   1.818  -4.592  -3.239
  220   1HB   ARG  34          2HB       ARG  34   3.882  -4.255  -1.039
  221   2HB   ARG  34          1HB       ARG  34   4.177  -4.862  -2.654
  222   1HG   ARG  34          2HG       ARG  34   3.385  -2.064  -1.927
  223   2HG   ARG  34          1HG       ARG  34   4.983  -2.604  -2.440
  224   1HD   ARG  34          2HD       ARG  34   4.039  -3.261  -4.611
  225   2HD   ARG  34          1HD       ARG  34   2.457  -2.685  -4.088
  226    HE   ARG  34           HE       ARG  34   3.134  -0.529  -4.467
  227   1HH1  ARG  34          1HH1      ARG  34   5.938  -2.631  -4.556
  228   2HH1  ARG  34          2HH1      ARG  34   7.025  -1.372  -5.032
  229   1HH2  ARG  34          1HH2      ARG  34   4.550   1.128  -5.076
  230   2HH2  ARG  34          2HH2      ARG  34   6.231   0.783  -5.330
  231    HA   PRO  35           HA       PRO  35   0.941  -8.527  -1.441
  232   1HB   PRO  35          2HB       PRO  35   3.252 -10.010  -1.856
  233   2HB   PRO  35          1HB       PRO  35   1.938  -9.815  -3.019
  234   1HG   PRO  35          2HG       PRO  35   4.564  -8.413  -2.866
  235   2HG   PRO  35          1HG       PRO  35   3.636  -8.911  -4.291
  236   1HD   PRO  35          2HD       PRO  35   3.727  -6.355  -3.451
  237   2HD   PRO  35          1HD       PRO  35   2.282  -7.032  -4.209
  238    H    LYS  36           H        LYS  36   1.580 -10.051   0.311
  239    HA   LYS  36           HA       LYS  36   2.762  -8.561   2.465
  240   1HB   LYS  36          2HB       LYS  36   0.764 -10.129   2.649
  241   2HB   LYS  36          1HB       LYS  36   1.912 -11.459   2.525
  242   1HG   LYS  36          2HG       LYS  36   3.037 -10.703   4.543
  243   2HG   LYS  36          1HG       LYS  36   1.934  -9.331   4.656
  244   1HD   LYS  36          2HD       LYS  36   0.047 -10.986   4.778
  245   2HD   LYS  36          1HD       LYS  36   1.263 -12.257   4.916
  246   1HE   LYS  36          2HE       LYS  36   0.452 -11.615   7.114
  247   2HE   LYS  36          1HE       LYS  36   2.151 -11.178   6.930
  248   1HZ   LYS  36          1HZ       LYS  36   0.486  -9.043   6.096
  249   2HZ   LYS  36          2HZ       LYS  36   1.659  -9.065   7.314
  250   3HZ   LYS  36          3HZ       LYS  36   0.069  -9.518   7.667
  251    H    GLY  37           H        GLY  37   4.745  -8.331   1.353
  252   1HA   GLY  37          2HA       GLY  37   6.977  -9.271   2.306
  253   2HA   GLY  37          1HA       GLY  37   6.527 -10.650   1.300
  254    H    TRP  38           H        TRP  38   6.214  -7.161   0.854
  255    HA   TRP  38           HA       TRP  38   6.850  -7.246  -1.891
  256   1HB   TRP  38          2HB       TRP  38   6.872  -4.774  -1.765
  257   2HB   TRP  38          1HB       TRP  38   5.446  -5.471  -1.013
  258    HD1  TRP  38           HD       TRP  38   4.904  -4.626   1.374
  259    HE1  TRP  38           1HE      TRP  38   6.125  -3.226   3.143
  260    HE3  TRP  38           3HE      TRP  38   9.437  -4.245  -0.908
  261    HZ2  TRP  38           2HZ      TRP  38   8.680  -2.087   3.518
  262    HZ3  TRP  38           3HZ      TRP  38  11.227  -2.971   0.212
  263    HH2  TRP  38           HH       TRP  38  10.852  -1.913   2.380
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1 -14.592  -4.096  -2.518
    2   2H    LYS   1          2HT       LYS   1 -15.481  -2.713  -2.123
    3   3H    LYS   1          3HT       LYS   1 -14.346  -3.331  -1.031
    4    HA   LYS   1           HA       LYS   1 -13.325  -2.654  -3.655
    5   1HB   LYS   1          2HB       LYS   1 -14.367  -0.634  -1.669
    6   2HB   LYS   1          1HB       LYS   1 -13.116  -0.235  -2.834
    7   1HG   LYS   1          2HG       LYS   1 -14.667  -0.832  -4.655
    8   2HG   LYS   1          1HG       LYS   1 -15.922  -1.125  -3.450
    9   1HD   LYS   1          2HD       LYS   1 -16.171   1.095  -4.420
   10   2HD   LYS   1          1HD       LYS   1 -15.755   1.209  -2.711
   11   1HE   LYS   1          2HE       LYS   1 -13.595   1.307  -4.781
   12   2HE   LYS   1          1HE       LYS   1 -14.565   2.742  -4.465
   13   1HZ   LYS   1          1HZ       LYS   1 -13.900   2.069  -1.986
   14   2HZ   LYS   1          2HZ       LYS   1 -12.953   3.088  -2.943
   15   3HZ   LYS   1          3HZ       LYS   1 -12.546   1.449  -2.798
   16    H    CYS   2           H        CYS   2 -11.145  -2.681  -3.515
   17    HA   CYS   2           HA       CYS   2  -9.778  -1.933  -1.145
   18   1HB   CYS   2          2HB       CYS   2  -8.691  -4.092  -0.680
   19   2HB   CYS   2          1HB       CYS   2 -10.421  -4.150  -0.399
   20    H    LEU   3           H        LEU   3  -7.541  -1.881  -1.380
   21    HA   LEU   3           HA       LEU   3  -6.716  -1.333  -4.083
   22   1HB   LEU   3          2HB       LEU   3  -5.187  -1.244  -1.481
   23   2HB   LEU   3          1HB       LEU   3  -4.631  -0.599  -3.008
   24    HG   LEU   3           HG       LEU   3  -7.026   0.379  -1.463
   25   1HD1  LEU   3          1HD1      LEU   3  -4.313   0.882  -1.056
   26   2HD1  LEU   3          2HD1      LEU   3  -5.682   1.781  -0.398
   27   3HD1  LEU   3          3HD1      LEU   3  -4.931   2.296  -1.909
   28   1HD2  LEU   3          1HD2      LEU   3  -7.693   1.215  -3.418
   29   2HD2  LEU   3          2HD2      LEU   3  -6.187   0.754  -4.212
   30   3HD2  LEU   3          3HD2      LEU   3  -6.291   2.282  -3.338
   31    H    ALA   4           H        ALA   4  -5.615  -2.679  -5.392
   32    HA   ALA   4           HA       ALA   4  -5.029  -5.346  -4.498
   33   1HB   ALA   4          1HB       ALA   4  -3.950  -5.129  -7.020
   34   2HB   ALA   4          2HB       ALA   4  -5.269  -3.958  -7.043
   35   3HB   ALA   4          3HB       ALA   4  -5.592  -5.643  -6.637
   36    H    GLU   5           H        GLU   5  -2.765  -6.030  -5.907
   37    HA   GLU   5           HA       GLU   5  -0.739  -5.149  -4.123
   38   1HB   GLU   5          2HB       GLU   5   0.753  -6.574  -5.586
   39   2HB   GLU   5          1HB       GLU   5  -0.590  -7.399  -4.809
   40   1HG   GLU   5          2HG       GLU   5  -1.856  -7.153  -6.955
   41   2HG   GLU   5          1HG       GLU   5  -0.362  -6.567  -7.687
   42    H    ALA   6           H        ALA   6   0.696  -3.661  -4.316
   43    HA   ALA   6           HA       ALA   6   1.976  -1.956  -5.081
   44   1HB   ALA   6          1HB       ALA   6   2.023  -1.795  -7.759
   45   2HB   ALA   6          2HB       ALA   6   1.541  -3.481  -7.574
   46   3HB   ALA   6          3HB       ALA   6   3.037  -2.906  -6.837
   47    H    ALA   7           H        ALA   7  -0.800  -1.682  -4.466
   48    HA   ALA   7           HA       ALA   7  -1.630   0.431  -6.343
   49   1HB   ALA   7          1HB       ALA   7  -3.634  -0.072  -4.386
   50   2HB   ALA   7          2HB       ALA   7  -3.077  -1.615  -5.032
   51   3HB   ALA   7          3HB       ALA   7  -3.685  -0.370  -6.124
   52    H    ASP   8           H        ASP   8  -1.492   2.501  -5.767
   53    HA   ASP   8           HA       ASP   8  -0.220   3.364  -3.446
   54   1HB   ASP   8          2HB       ASP   8  -0.368   4.691  -5.521
   55   2HB   ASP   8          1HB       ASP   8  -2.085   4.942  -5.234
   56    H    CYS   9           H        CYS   9  -0.861   3.888  -1.450
   57    HA   CYS   9           HA       CYS   9  -3.745   3.833  -0.893
   58   1HB   CYS   9          2HB       CYS   9  -2.713   3.293   1.535
   59   2HB   CYS   9          1HB       CYS   9  -3.220   2.066   0.390
   60    H    SER  10           H        SER  10  -4.610   5.397   0.251
   61    HA   SER  10           HA       SER  10  -3.084   7.810   0.586
   62   1HB   SER  10          2HB       SER  10  -5.957   7.284   1.363
   63   2HB   SER  10          1HB       SER  10  -5.197   8.851   1.078
   64    HG   SER  10           HG       SER  10  -4.750   7.519  -1.099
   65    HA   PRO  11           HA       PRO  11  -1.878   6.970   4.774
   66   1HB   PRO  11          2HB       PRO  11  -0.991   9.465   5.370
   67   2HB   PRO  11          1HB       PRO  11  -0.095   8.346   4.332
   68   1HG   PRO  11          2HG       PRO  11  -1.946  10.575   3.548
   69   2HG   PRO  11          1HG       PRO  11  -0.334  10.204   2.924
   70   1HD   PRO  11          2HD       PRO  11  -2.518   9.470   1.587
   71   2HD   PRO  11          1HD       PRO  11  -1.092   8.413   1.656
   72    H    TRP  12           H        TRP  12  -3.797   9.907   4.126
   73    HA   TRP  12           HA       TRP  12  -4.641  10.103   6.860
   74   1HB   TRP  12          2HB       TRP  12  -5.651  11.540   4.399
   75   2HB   TRP  12          1HB       TRP  12  -6.096  11.935   6.056
   76    HD1  TRP  12           HD       TRP  12  -4.126  12.992   7.618
   77    HE1  TRP  12           1HE      TRP  12  -2.072  14.400   6.973
   78    HE3  TRP  12           3HE      TRP  12  -3.931  11.909   2.624
   79    HZ2  TRP  12           2HZ      TRP  12  -0.573  14.985   4.654
   80    HZ3  TRP  12           3HZ      TRP  12  -2.160  12.941   1.262
   81    HH2  TRP  12           HH       TRP  12  -0.516  14.448   2.259
   82    H    SER  13           H        SER  13  -6.129   9.073   3.824
   83    HA   SER  13           HA       SER  13  -7.785   7.157   5.026
   84   1HB   SER  13          2HB       SER  13  -8.928   9.257   5.875
   85   2HB   SER  13          1HB       SER  13  -9.333   9.625   4.200
   86    HG   SER  13           HG       SER  13 -10.466   7.833   5.918
   87    H    GLY  14           H        GLY  14  -8.627   5.821   3.507
   88   1HA   GLY  14          2HA       GLY  14  -9.344   6.574   0.880
   89   2HA   GLY  14          1HA       GLY  14  -7.715   5.901   0.881
   90    H    ASP  15           H        ASP  15  -8.451   4.096  -0.368
   91    HA   ASP  15           HA       ASP  15 -10.453   2.355   0.792
   92   1HB   ASP  15          2HB       ASP  15  -9.643   2.737  -1.784
   93   2HB   ASP  15          1HB       ASP  15  -8.791   1.261  -1.377
   94    H    SER  16           H        SER  16 -10.045   0.220   1.443
   95    HA   SER  16           HA       SER  16  -7.527  -0.041   2.857
   96   1HB   SER  16          2HB       SER  16  -9.789  -2.030   2.747
   97   2HB   SER  16          1HB       SER  16  -8.507  -1.938   3.948
   98    HG   SER  16           HG       SER  16 -10.054   0.345   3.615
   99    H    CYS  17           H        CYS  17  -5.995  -1.641   2.498
  100    HA   CYS  17           HA       CYS  17  -5.702  -2.503  -0.203
  101   1HB   CYS  17          2HB       CYS  17  -4.152  -3.579   2.158
  102   2HB   CYS  17          1HB       CYS  17  -3.634  -3.476   0.481
  103    H    CYS  18           H        CYS  18  -6.076  -4.493  -1.108
  104    HA   CYS  18           HA       CYS  18  -7.939  -6.270   0.055
  105   1HB   CYS  18          2HB       CYS  18  -5.987  -6.866  -2.188
  106   2HB   CYS  18          1HB       CYS  18  -7.464  -7.745  -1.832
  107    H    LYS  19           H        LYS  19  -7.623  -8.318   0.956
  108    HA   LYS  19           HA       LYS  19  -5.097  -8.553   2.319
  109   1HB   LYS  19          2HB       LYS  19  -7.402 -10.481   2.467
  110   2HB   LYS  19          1HB       LYS  19  -6.109 -10.257   3.622
  111   1HG   LYS  19          2HG       LYS  19  -8.337  -8.333   3.028
  112   2HG   LYS  19          1HG       LYS  19  -8.087  -9.259   4.510
  113   1HD   LYS  19          2HD       LYS  19  -6.105  -8.025   5.027
  114   2HD   LYS  19          1HD       LYS  19  -6.125  -7.229   3.452
  115   1HE   LYS  19          2HE       LYS  19  -8.358  -6.254   4.118
  116   2HE   LYS  19          1HE       LYS  19  -8.036  -6.853   5.746
  117   1HZ   LYS  19          1HZ       LYS  19  -5.873  -5.566   5.564
  118   2HZ   LYS  19          2HZ       LYS  19  -7.287  -4.655   5.747
  119   3HZ   LYS  19          3HZ       LYS  19  -6.560  -4.794   4.223
  120    HA   PRO  20           HA       PRO  20  -4.120  -9.903   3.300
  121   1HB   PRO  20          2HB       PRO  20  -1.866 -11.315   3.587
  122   2HB   PRO  20          1HB       PRO  20  -3.451 -12.096   3.617
  123   1HG   PRO  20          2HG       PRO  20  -1.375 -12.134   1.511
  124   2HG   PRO  20          1HG       PRO  20  -2.643 -13.317   1.860
  125   1HD   PRO  20          2HD       PRO  20  -2.655 -11.226  -0.120
  126   2HD   PRO  20          1HD       PRO  20  -3.917 -12.429   0.211
  127    H    TYR  21           H        TYR  21  -3.349  -8.350   0.806
  128    HA   TYR  21           HA       TYR  21  -0.589  -7.676   1.048
  129   1HB   TYR  21          2HB       TYR  21  -2.729  -5.988  -0.268
  130   2HB   TYR  21          1HB       TYR  21  -0.994  -5.940  -0.551
  131    HD1  TYR  21           1HD      TYR  21  -4.088  -7.790  -1.226
  132    HD2  TYR  21           2HD      TYR  21   0.110  -7.635  -1.879
  133    HE1  TYR  21           1HE      TYR  21  -4.311  -9.456  -3.020
  134    HE2  TYR  21           2HE      TYR  21  -0.101  -9.296  -3.676
  135    HH   TYR  21           HH       TYR  21  -1.766 -10.149  -5.214
  136    H    LEU  22           H        LEU  22   0.289  -5.629   1.646
  137    HA   LEU  22           HA       LEU  22  -1.253  -4.231   3.730
  138   1HB   LEU  22          2HB       LEU  22   0.294  -5.852   4.732
  139   2HB   LEU  22          1HB       LEU  22   1.628  -5.122   3.862
  140    HG   LEU  22           HG       LEU  22   1.157  -2.993   5.135
  141   1HD1  LEU  22          1HD1      LEU  22  -0.051  -3.514   7.358
  142   2HD1  LEU  22          2HD1      LEU  22  -0.782  -4.842   6.455
  143   3HD1  LEU  22          3HD1      LEU  22  -1.012  -3.177   5.918
  144   1HD2  LEU  22          1HD2      LEU  22   2.086  -5.532   6.417
  145   2HD2  LEU  22          2HD2      LEU  22   2.056  -4.024   7.332
  146   3HD2  LEU  22          3HD2      LEU  22   3.029  -4.148   5.866
  147    H    CYS  23           H        CYS  23  -0.959  -2.035   3.849
  148    HA   CYS  23           HA       CYS  23   0.176  -0.710   1.589
  149   1HB   CYS  23          2HB       CYS  23  -1.799   0.206   2.719
  150   2HB   CYS  23          1HB       CYS  23  -0.867   0.422   4.197
  151    H    SER  24           H        SER  24   2.201  -0.059   1.323
  152    HA   SER  24           HA       SER  24   3.879   0.339   3.701
  153   1HB   SER  24          2HB       SER  24   5.752  -0.779   2.470
  154   2HB   SER  24          1HB       SER  24   4.408  -1.865   2.819
  155    HG   SER  24           HG       SER  24   3.885  -0.772   0.492
  156    H    CYS  25           H        CYS  25   5.112   2.145   3.628
  157    HA   CYS  25           HA       CYS  25   5.164   3.632   1.091
  158   1HB   CYS  25          2HB       CYS  25   3.831   4.453   3.265
  159   2HB   CYS  25          1HB       CYS  25   5.423   5.074   3.686
  160    H    ILE  26           H        ILE  26   7.143   2.706   0.514
  161    HA   ILE  26           HA       ILE  26   9.423   3.131   2.270
  162    HB   ILE  26           HB       ILE  26  10.722   1.933   0.463
  163   1HG1  ILE  26          2HG1      ILE  26   8.849   2.362  -1.281
  164   2HG1  ILE  26          1HG1      ILE  26   9.674   0.810  -1.292
  165   1HG2  ILE  26          1HG2      ILE  26   8.655   0.804   2.233
  166   2HG2  ILE  26          2HG2      ILE  26  10.402   0.559   2.213
  167   3HG2  ILE  26          3HG2      ILE  26   9.379  -0.291   1.055
  168   1HD1  ILE  26          1HD1      ILE  26   7.110   0.884  -1.539
  169   2HD1  ILE  26          2HD1      ILE  26   7.109   1.146   0.205
  170   3HD1  ILE  26          3HD1      ILE  26   7.830  -0.317  -0.465
  171    H    PHE  27           H        PHE  27  11.473   3.488   0.531
  172    HA   PHE  27           HA       PHE  27  11.334   6.294   0.087
  173   1HB   PHE  27          2HB       PHE  27  13.467   4.238  -0.452
  174   2HB   PHE  27          1HB       PHE  27  13.675   5.941  -0.834
  175    HD1  PHE  27           1HD      PHE  27  12.386   4.002   2.103
  176    HD2  PHE  27           2HD      PHE  27  14.995   7.042   0.664
  177    HE1  PHE  27           1HE      PHE  27  13.160   4.420   4.399
  178    HE2  PHE  27           2HE      PHE  27  15.773   7.464   2.958
  179    HZ   PHE  27           HZ       PHE  27  14.855   6.153   4.830
  180    H    PHE  28           H        PHE  28  12.240   3.713  -2.216
  181    HA   PHE  28           HA       PHE  28  11.999   5.390  -4.470
  182   1HB   PHE  28          2HB       PHE  28  13.371   3.276  -4.317
  183   2HB   PHE  28          1HB       PHE  28  11.870   2.373  -4.491
  184    HD1  PHE  28           1HD      PHE  28  12.989   5.475  -6.217
  185    HD2  PHE  28           2HD      PHE  28  12.016   1.347  -6.560
  186    HE1  PHE  28           1HE      PHE  28  13.180   5.639  -8.665
  187    HE2  PHE  28           2HE      PHE  28  12.205   1.501  -9.009
  188    HZ   PHE  28           HZ       PHE  28  12.787   3.649 -10.065
  189    H    TYR  29           H        TYR  29   9.785   3.094  -2.991
  190    HA   TYR  29           HA       TYR  29   7.733   3.882  -4.944
  191   1HB   TYR  29          2HB       TYR  29   7.911   1.481  -3.117
  192   2HB   TYR  29          1HB       TYR  29   6.444   1.916  -3.980
  193    HD1  TYR  29           1HD      TYR  29  10.047   1.144  -4.602
  194    HD2  TYR  29           2HD      TYR  29   6.057   1.027  -6.072
  195    HE1  TYR  29           1HE      TYR  29  10.807  -0.155  -6.546
  196    HE2  TYR  29           2HE      TYR  29   6.806  -0.271  -8.019
  197    HH   TYR  29           HH       TYR  29   9.654  -0.434  -9.142
  198    HA   PRO  30           HA       PRO  30   5.997   6.347  -1.674
  199   1HB   PRO  30          2HB       PRO  30   3.540   6.364  -3.281
  200   2HB   PRO  30          1HB       PRO  30   4.587   7.710  -2.830
  201   1HG   PRO  30          2HG       PRO  30   4.455   6.785  -5.357
  202   2HG   PRO  30          1HG       PRO  30   5.952   7.438  -4.666
  203   1HD   PRO  30          2HD       PRO  30   5.136   4.585  -5.068
  204   2HD   PRO  30          1HD       PRO  30   6.719   5.352  -5.324
  205    H    CYS  31           H        CYS  31   3.439   6.408  -0.864
  206    HA   CYS  31           HA       CYS  31   3.154   4.036   0.622
  207   1HB   CYS  31          2HB       CYS  31   1.169   6.255   0.072
  208   2HB   CYS  31          1HB       CYS  31   0.917   4.973   1.246
  209    H    SER  32           H        SER  32   2.819   2.164  -0.415
  210    HA   SER  32           HA       SER  32   0.417   1.932  -2.059
  211   1HB   SER  32          2HB       SER  32   1.863   0.461  -3.642
  212   2HB   SER  32          1HB       SER  32   1.962   2.209  -3.810
  213    HG   SER  32           HG       SER  32   3.851   2.121  -2.459
  214    H    CYS  33           H        CYS  33  -0.626   0.029  -1.834
  215    HA   CYS  33           HA       CYS  33   0.200  -1.766   0.233
  216   1HB   CYS  33          2HB       CYS  33  -1.949  -2.332  -1.810
  217   2HB   CYS  33          1HB       CYS  33  -1.816  -2.947  -0.176
  218    H    ARG  34           H        ARG  34   1.600  -3.325  -0.016
  219    HA   ARG  34           HA       ARG  34   1.965  -4.533  -2.686
  220   1HB   ARG  34          2HB       ARG  34   4.168  -4.470  -0.633
  221   2HB   ARG  34          1HB       ARG  34   4.289  -4.668  -2.371
  222   1HG   ARG  34          2HG       ARG  34   3.694  -2.117  -0.892
  223   2HG   ARG  34          1HG       ARG  34   5.198  -2.543  -1.703
  224   1HD   ARG  34          2HD       ARG  34   2.525  -2.178  -3.054
  225   2HD   ARG  34          1HD       ARG  34   3.807  -0.973  -2.999
  226    HE   ARG  34           HE       ARG  34   3.578  -3.088  -4.826
  227   1HH1  ARG  34          1HH1      ARG  34   5.994  -1.392  -2.952
  228   2HH1  ARG  34          2HH1      ARG  34   7.297  -1.796  -4.021
  229   1HH2  ARG  34          1HH2      ARG  34   5.291  -3.623  -6.250
  230   2HH2  ARG  34          2HH2      ARG  34   6.895  -3.070  -5.903
  231    HA   PRO  35           HA       PRO  35   1.176  -8.576  -1.098
  232   1HB   PRO  35          2HB       PRO  35   4.080  -9.226  -1.307
  233   2HB   PRO  35          1HB       PRO  35   2.678 -10.131  -1.890
  234   1HG   PRO  35          2HG       PRO  35   4.194  -8.701  -3.559
  235   2HG   PRO  35          1HG       PRO  35   2.437  -8.806  -3.767
  236   1HD   PRO  35          2HD       PRO  35   4.091  -6.544  -2.789
  237   2HD   PRO  35          1HD       PRO  35   2.533  -6.527  -3.630
  238    H    LYS  36           H        LYS  36   1.573 -10.025   0.732
  239    HA   LYS  36           HA       LYS  36   2.318  -8.548   3.076
  240   1HB   LYS  36          2HB       LYS  36   0.404 -10.162   2.965
  241   2HB   LYS  36          1HB       LYS  36   1.575 -11.470   2.853
  242   1HG   LYS  36          2HG       LYS  36   0.757 -11.251   5.123
  243   2HG   LYS  36          1HG       LYS  36   2.473 -10.848   5.047
  244   1HD   LYS  36          2HD       LYS  36   1.913  -8.465   5.027
  245   2HD   LYS  36          1HD       LYS  36   0.196  -8.867   5.092
  246   1HE   LYS  36          2HE       LYS  36   2.255  -9.544   7.191
  247   2HE   LYS  36          1HE       LYS  36   1.064  -8.248   7.296
  248   1HZ   LYS  36          1HZ       LYS  36   0.151 -10.016   8.489
  249   2HZ   LYS  36          2HZ       LYS  36   0.601 -11.168   7.336
  250   3HZ   LYS  36          3HZ       LYS  36  -0.647 -10.077   6.999
  251    H    GLY  37           H        GLY  37   4.469  -8.204   2.286
  252   1HA   GLY  37          2HA       GLY  37   6.610  -8.814   3.431
  253   2HA   GLY  37          1HA       GLY  37   6.305 -10.450   2.850
  254    H    TRP  38           H        TRP  38   5.413  -7.789   0.873
  255    HA   TRP  38           HA       TRP  38   6.163  -6.874  -1.041
  256   1HB   TRP  38          2HB       TRP  38   8.687  -7.745   0.195
  257   2HB   TRP  38          1HB       TRP  38   8.737  -7.578  -1.555
  258    HD1  TRP  38           HD       TRP  38   9.386  -5.274  -2.353
  259    HE1  TRP  38           1HE      TRP  38   9.351  -2.889  -1.397
  260    HE3  TRP  38           3HE      TRP  38   7.028  -6.207   2.085
  261    HZ2  TRP  38           2HZ      TRP  38   8.443  -1.576   0.925
  262    HZ3  TRP  38           3HZ      TRP  38   6.619  -4.332   3.618
  263    HH2  TRP  38           HH       TRP  38   7.311  -2.064   3.047
  Start of MODEL   18
    1   1H    LYS   1          1HT       LYS   1 -13.862  -4.582  -2.745
    2   2H    LYS   1          2HT       LYS   1 -15.329  -3.854  -2.323
    3   3H    LYS   1          3HT       LYS   1 -14.183  -4.201  -1.128
    4    HA   LYS   1           HA       LYS   1 -13.489  -2.406  -3.349
    5   1HB   LYS   1          2HB       LYS   1 -15.684  -1.757  -2.195
    6   2HB   LYS   1          1HB       LYS   1 -14.733  -1.522  -0.737
    7   1HG   LYS   1          2HG       LYS   1 -15.053   0.605  -1.737
    8   2HG   LYS   1          1HG       LYS   1 -13.367   0.153  -1.990
    9   1HD   LYS   1          2HD       LYS   1 -13.797  -0.442  -4.268
   10   2HD   LYS   1          1HD       LYS   1 -15.538  -0.269  -4.039
   11   1HE   LYS   1          2HE       LYS   1 -14.680   1.660  -5.216
   12   2HE   LYS   1          1HE       LYS   1 -15.220   2.137  -3.608
   13   1HZ   LYS   1          1HZ       LYS   1 -13.219   2.991  -3.259
   14   2HZ   LYS   1          2HZ       LYS   1 -12.678   2.454  -4.765
   15   3HZ   LYS   1          3HZ       LYS   1 -12.523   1.456  -3.406
   16    H    CYS   2           H        CYS   2 -11.328  -2.848  -3.144
   17    HA   CYS   2           HA       CYS   2  -9.958  -1.816  -0.844
   18   1HB   CYS   2          2HB       CYS   2  -8.747  -3.929  -0.340
   19   2HB   CYS   2          1HB       CYS   2 -10.459  -4.004   0.053
   20    H    LEU   3           H        LEU   3  -7.662  -1.795  -1.145
   21    HA   LEU   3           HA       LEU   3  -6.966  -1.284  -3.889
   22   1HB   LEU   3          2HB       LEU   3  -5.269  -1.200  -1.398
   23   2HB   LEU   3          1HB       LEU   3  -4.861  -0.507  -2.951
   24    HG   LEU   3           HG       LEU   3  -7.161   0.378  -1.221
   25   1HD1  LEU   3          1HD1      LEU   3  -4.492   0.845  -0.789
   26   2HD1  LEU   3          2HD1      LEU   3  -5.824   1.844  -0.206
   27   3HD1  LEU   3          3HD1      LEU   3  -4.999   2.262  -1.708
   28   1HD2  LEU   3          1HD2      LEU   3  -6.610   0.776  -3.977
   29   2HD2  LEU   3          2HD2      LEU   3  -6.352   2.309  -3.143
   30   3HD2  LEU   3          3HD2      LEU   3  -7.902   1.479  -3.004
   31    H    ALA   4           H        ALA   4  -6.168  -2.773  -5.232
   32    HA   ALA   4           HA       ALA   4  -5.376  -5.362  -4.276
   33   1HB   ALA   4          1HB       ALA   4  -5.899  -6.040  -6.326
   34   2HB   ALA   4          2HB       ALA   4  -4.842  -4.846  -7.079
   35   3HB   ALA   4          3HB       ALA   4  -6.479  -4.399  -6.602
   36    H    GLU   5           H        GLU   5  -3.495  -5.919  -6.320
   37    HA   GLU   5           HA       GLU   5  -1.075  -5.450  -4.971
   38   1HB   GLU   5          2HB       GLU   5  -1.285  -7.428  -6.253
   39   2HB   GLU   5          1HB       GLU   5  -1.767  -6.541  -7.691
   40   1HG   GLU   5          2HG       GLU   5   0.465  -7.340  -7.985
   41   2HG   GLU   5          1HG       GLU   5   0.512  -5.587  -7.812
   42    H    ALA   6           H        ALA   6   0.314  -3.866  -5.076
   43    HA   ALA   6           HA       ALA   6   1.370  -1.932  -5.629
   44   1HB   ALA   6          1HB       ALA   6   2.370  -2.342  -7.574
   45   2HB   ALA   6          2HB       ALA   6   0.978  -1.619  -8.381
   46   3HB   ALA   6          3HB       ALA   6   1.033  -3.361  -8.107
   47    H    ALA   7           H        ALA   7  -1.206  -1.656  -4.682
   48    HA   ALA   7           HA       ALA   7  -2.397   0.376  -6.449
   49   1HB   ALA   7          1HB       ALA   7  -3.791  -0.476  -3.977
   50   2HB   ALA   7          2HB       ALA   7  -3.660  -1.638  -5.297
   51   3HB   ALA   7          3HB       ALA   7  -4.438  -0.080  -5.570
   52    H    ASP   8           H        ASP   8  -2.354   2.487  -5.990
   53    HA   ASP   8           HA       ASP   8  -0.764   3.479  -3.889
   54   1HB   ASP   8          2HB       ASP   8  -1.602   5.706  -4.569
   55   2HB   ASP   8          1HB       ASP   8  -1.054   4.748  -5.938
   56    H    CYS   9           H        CYS   9  -1.215   4.149  -1.878
   57    HA   CYS   9           HA       CYS   9  -3.882   3.544  -0.871
   58   1HB   CYS   9          2HB       CYS   9  -1.563   4.436   0.815
   59   2HB   CYS   9          1HB       CYS   9  -2.949   3.465   1.284
   60    H    SER  10           H        SER  10  -5.040   4.997   0.447
   61    HA   SER  10           HA       SER  10  -4.898   7.718  -0.477
   62   1HB   SER  10          2HB       SER  10  -6.717   6.549   1.638
   63   2HB   SER  10          1HB       SER  10  -6.976   8.019   0.697
   64    HG   SER  10           HG       SER  10  -6.609   6.111  -1.058
   65    HA   PRO  11           HA       PRO  11  -2.182   9.161   2.704
   66   1HB   PRO  11          2HB       PRO  11  -2.873  11.820   2.554
   67   2HB   PRO  11          1HB       PRO  11  -1.755  11.011   1.451
   68   1HG   PRO  11          2HG       PRO  11  -4.661  11.628   1.088
   69   2HG   PRO  11          1HG       PRO  11  -3.333  11.780  -0.073
   70   1HD   PRO  11          2HD       PRO  11  -5.030   9.716  -0.163
   71   2HD   PRO  11          1HD       PRO  11  -3.305   9.508  -0.531
   72    H    TRP  12           H        TRP  12  -5.367  10.811   2.796
   73    HA   TRP  12           HA       TRP  12  -5.190  10.920   5.689
   74   1HB   TRP  12          2HB       TRP  12  -7.383  11.927   3.865
   75   2HB   TRP  12          1HB       TRP  12  -7.224  12.274   5.583
   76    HD1  TRP  12           HD       TRP  12  -5.082  13.854   6.289
   77    HE1  TRP  12           1HE      TRP  12  -3.928  15.738   4.970
   78    HE3  TRP  12           3HE      TRP  12  -6.773  12.716   1.600
   79    HZ2  TRP  12           2HZ      TRP  12  -3.763  16.630   2.297
   80    HZ3  TRP  12           3HZ      TRP  12  -6.076  14.139  -0.282
   81    HH2  TRP  12           HH       TRP  12  -4.603  16.056   0.061
   82    H    SER  13           H        SER  13  -7.628   9.781   3.357
   83    HA   SER  13           HA       SER  13  -8.094   7.367   4.838
   84   1HB   SER  13          2HB       SER  13 -10.271   9.478   4.753
   85   2HB   SER  13          1HB       SER  13 -10.496   7.815   5.289
   86    HG   SER  13           HG       SER  13  -8.420   8.954   6.586
   87    H    GLY  14           H        GLY  14  -9.248   5.850   3.622
   88   1HA   GLY  14          2HA       GLY  14 -10.823   6.346   1.389
   89   2HA   GLY  14          1HA       GLY  14  -9.167   6.199   0.816
   90    H    ASP  15           H        ASP  15  -9.449   4.302  -0.286
   91    HA   ASP  15           HA       ASP  15 -10.732   2.015   0.804
   92   1HB   ASP  15          2HB       ASP  15  -9.009   2.506  -1.588
   93   2HB   ASP  15          1HB       ASP  15  -9.349   0.857  -1.096
   94    H    SER  16           H        SER  16  -9.865   0.117   1.536
   95    HA   SER  16           HA       SER  16  -7.208   0.355   2.742
   96   1HB   SER  16          2HB       SER  16  -9.354  -1.693   3.324
   97   2HB   SER  16          1HB       SER  16  -7.898  -1.391   4.265
   98    HG   SER  16           HG       SER  16  -9.445   0.840   3.888
   99    H    CYS  17           H        CYS  17  -5.700  -1.366   2.494
  100    HA   CYS  17           HA       CYS  17  -5.558  -2.442  -0.099
  101   1HB   CYS  17          2HB       CYS  17  -4.059  -3.364   2.367
  102   2HB   CYS  17          1HB       CYS  17  -3.610  -3.689   0.699
  103    H    CYS  18           H        CYS  18  -5.950  -4.468  -0.910
  104    HA   CYS  18           HA       CYS  18  -7.916  -6.094   0.360
  105   1HB   CYS  18          2HB       CYS  18  -6.115  -6.759  -1.991
  106   2HB   CYS  18          1HB       CYS  18  -7.556  -7.647  -1.521
  107    H    LYS  19           H        LYS  19  -7.650  -8.066   1.367
  108    HA   LYS  19           HA       LYS  19  -5.107  -8.420   2.633
  109   1HB   LYS  19          2HB       LYS  19  -6.227 -10.285   3.796
  110   2HB   LYS  19          1HB       LYS  19  -7.114  -8.782   3.922
  111   1HG   LYS  19          2HG       LYS  19  -8.665  -9.534   2.210
  112   2HG   LYS  19          1HG       LYS  19  -7.750 -11.030   2.022
  113   1HD   LYS  19          2HD       LYS  19  -8.234 -11.603   4.362
  114   2HD   LYS  19          1HD       LYS  19  -9.173 -10.118   4.523
  115   1HE   LYS  19          2HE       LYS  19 -10.716 -10.898   2.802
  116   2HE   LYS  19          1HE       LYS  19  -9.766 -12.369   2.603
  117   1HZ   LYS  19          1HZ       LYS  19 -10.554 -11.906   5.321
  118   2HZ   LYS  19          2HZ       LYS  19 -10.725 -13.293   4.370
  119   3HZ   LYS  19          3HZ       LYS  19 -11.879 -12.060   4.279
  120    HA   PRO  20           HA       PRO  20  -3.930  -9.581   3.468
  121   1HB   PRO  20          2HB       PRO  20  -1.744 -11.096   3.665
  122   2HB   PRO  20          1HB       PRO  20  -3.355 -11.789   3.876
  123   1HG   PRO  20          2HG       PRO  20  -1.457 -12.112   1.641
  124   2HG   PRO  20          1HG       PRO  20  -2.804 -13.153   2.130
  125   1HD   PRO  20          2HD       PRO  20  -2.745 -11.097   0.072
  126   2HD   PRO  20          1HD       PRO  20  -4.033 -12.264   0.441
  127    H    TYR  21           H        TYR  21  -3.428  -7.977   1.090
  128    HA   TYR  21           HA       TYR  21  -0.562  -7.551   0.972
  129   1HB   TYR  21          2HB       TYR  21  -2.769  -5.862  -0.269
  130   2HB   TYR  21          1HB       TYR  21  -1.049  -5.725  -0.583
  131    HD1  TYR  21           1HD      TYR  21  -3.625  -8.460  -0.651
  132    HD2  TYR  21           2HD      TYR  21  -0.328  -6.576  -2.565
  133    HE1  TYR  21           1HE      TYR  21  -3.801 -10.055  -2.514
  134    HE2  TYR  21           2HE      TYR  21  -0.496  -8.164  -4.430
  135    HH   TYR  21           HH       TYR  21  -1.508  -9.957  -5.230
  136    H    LEU  22           H        LEU  22   0.522  -5.725   1.618
  137    HA   LEU  22           HA       LEU  22  -0.837  -4.116   3.680
  138   1HB   LEU  22          2HB       LEU  22   0.764  -5.671   4.663
  139   2HB   LEU  22          1HB       LEU  22   2.016  -5.105   3.576
  140    HG   LEU  22           HG       LEU  22   1.869  -2.861   4.671
  141   1HD1  LEU  22          1HD1      LEU  22   0.626  -3.832   7.094
  142   2HD1  LEU  22          2HD1      LEU  22  -0.488  -3.870   5.729
  143   3HD1  LEU  22          3HD1      LEU  22   0.309  -2.361   6.174
  144   1HD2  LEU  22          1HD2      LEU  22   3.043  -5.260   5.619
  145   2HD2  LEU  22          2HD2      LEU  22   2.520  -4.322   7.018
  146   3HD2  LEU  22          3HD2      LEU  22   3.607  -3.603   5.830
  147    H    CYS  23           H        CYS  23  -0.532  -1.907   3.586
  148    HA   CYS  23           HA       CYS  23   0.363  -0.834   1.107
  149   1HB   CYS  23          2HB       CYS  23  -1.448   0.229   2.368
  150   2HB   CYS  23          1HB       CYS  23  -0.333   0.598   3.678
  151    H    SER  24           H        SER  24   2.432  -0.889   0.623
  152    HA   SER  24           HA       SER  24   4.451  -0.442   2.662
  153   1HB   SER  24          2HB       SER  24   6.049  -0.935   0.797
  154   2HB   SER  24          1HB       SER  24   4.896  -2.232   1.099
  155    HG   SER  24           HG       SER  24   3.831  -0.572  -0.692
  156    H    CYS  25           H        CYS  25   5.500   1.440   2.942
  157    HA   CYS  25           HA       CYS  25   5.315   3.469   0.838
  158   1HB   CYS  25          2HB       CYS  25   3.600   3.689   2.825
  159   2HB   CYS  25          1HB       CYS  25   4.998   4.305   3.700
  160    H    ILE  26           H        ILE  26   7.486   2.300   0.749
  161    HA   ILE  26           HA       ILE  26   9.421   3.094   2.725
  162    HB   ILE  26           HB       ILE  26  11.082   2.014   1.173
  163   1HG1  ILE  26          2HG1      ILE  26   9.458   2.313  -0.849
  164   2HG1  ILE  26          1HG1      ILE  26  10.455   0.869  -0.750
  165   1HG2  ILE  26          1HG2      ILE  26   9.114  -0.102   1.637
  166   2HG2  ILE  26          2HG2      ILE  26   9.410   0.944   3.026
  167   3HG2  ILE  26          3HG2      ILE  26  10.751   0.091   2.263
  168   1HD1  ILE  26          1HD1      ILE  26   7.652   0.885   0.303
  169   2HD1  ILE  26          2HD1      ILE  26   8.646  -0.484  -0.196
  170   3HD1  ILE  26          3HD1      ILE  26   7.992   0.619  -1.408
  171    H    PHE  27           H        PHE  27  11.645   3.668   1.286
  172    HA   PHE  27           HA       PHE  27  11.371   6.433   0.871
  173   1HB   PHE  27          2HB       PHE  27  13.603   4.495   0.335
  174   2HB   PHE  27          1HB       PHE  27  13.754   6.206  -0.031
  175    HD1  PHE  27           1HD      PHE  27  12.436   4.224   2.861
  176    HD2  PHE  27           2HD      PHE  27  15.017   7.326   1.507
  177    HE1  PHE  27           1HE      PHE  27  13.125   4.658   5.182
  178    HE2  PHE  27           2HE      PHE  27  15.710   7.765   3.826
  179    HZ   PHE  27           HZ       PHE  27  14.765   6.430   5.667
  180    H    PHE  28           H        PHE  28  12.362   3.967  -1.517
  181    HA   PHE  28           HA       PHE  28  12.092   5.791  -3.682
  182   1HB   PHE  28          2HB       PHE  28  13.686   3.846  -3.605
  183   2HB   PHE  28          1HB       PHE  28  12.306   2.786  -3.867
  184    HD1  PHE  28           1HD      PHE  28  13.182   6.068  -5.396
  185    HD2  PHE  28           2HD      PHE  28  12.526   1.906  -5.990
  186    HE1  PHE  28           1HE      PHE  28  13.407   6.384  -7.825
  187    HE2  PHE  28           2HE      PHE  28  12.749   2.214  -8.421
  188    HZ   PHE  28           HZ       PHE  28  13.192   4.454  -9.340
  189    H    TYR  29           H        TYR  29  10.033   3.255  -2.370
  190    HA   TYR  29           HA       TYR  29   8.071   3.844  -4.475
  191   1HB   TYR  29          2HB       TYR  29   8.261   1.509  -2.571
  192   2HB   TYR  29          1HB       TYR  29   6.881   1.799  -3.622
  193    HD1  TYR  29           1HD      TYR  29   6.827   0.773  -5.676
  194    HD2  TYR  29           2HD      TYR  29  10.598   1.405  -3.815
  195    HE1  TYR  29           1HE      TYR  29   7.919  -0.493  -7.476
  196    HE2  TYR  29           2HE      TYR  29  11.703   0.144  -5.615
  197    HH   TYR  29           HH       TYR  29  11.340  -0.561  -7.861
  198    HA   PRO  30           HA       PRO  30   5.836   6.199  -1.439
  199   1HB   PRO  30          2HB       PRO  30   3.681   6.746  -2.991
  200   2HB   PRO  30          1HB       PRO  30   5.230   7.576  -3.182
  201   1HG   PRO  30          2HG       PRO  30   4.084   5.313  -4.765
  202   2HG   PRO  30          1HG       PRO  30   4.969   6.741  -5.331
  203   1HD   PRO  30          2HD       PRO  30   6.119   4.290  -5.049
  204   2HD   PRO  30          1HD       PRO  30   7.017   5.807  -4.862
  205    H    CYS  31           H        CYS  31   3.562   6.183  -0.557
  206    HA   CYS  31           HA       CYS  31   2.915   3.730   0.512
  207   1HB   CYS  31          2HB       CYS  31   1.164   6.155   0.081
  208   2HB   CYS  31          1HB       CYS  31   0.672   4.766   1.035
  209    H    SER  32           H        SER  32   2.498   1.989  -0.672
  210    HA   SER  32           HA       SER  32   0.096   1.930  -2.286
  211   1HB   SER  32          2HB       SER  32   1.391   0.775  -4.172
  212   2HB   SER  32          1HB       SER  32   1.585   2.523  -4.037
  213    HG   SER  32           HG       SER  32   3.536   2.065  -2.820
  214    H    CYS  33           H        CYS  33  -0.903  -0.003  -2.145
  215    HA   CYS  33           HA       CYS  33  -0.017  -1.901  -0.263
  216   1HB   CYS  33          2HB       CYS  33  -2.117  -2.392  -2.370
  217   2HB   CYS  33          1HB       CYS  33  -1.967  -3.158  -0.806
  218    H    ARG  34           H        ARG  34   1.162  -3.570  -0.417
  219    HA   ARG  34           HA       ARG  34   1.727  -4.901  -2.967
  220   1HB   ARG  34          2HB       ARG  34   3.761  -3.884  -0.958
  221   2HB   ARG  34          1HB       ARG  34   4.130  -5.114  -2.154
  222   1HG   ARG  34          2HG       ARG  34   3.167  -2.346  -2.826
  223   2HG   ARG  34          1HG       ARG  34   4.864  -2.832  -2.774
  224   1HD   ARG  34          2HD       ARG  34   4.245  -4.647  -4.426
  225   2HD   ARG  34          1HD       ARG  34   2.701  -3.818  -4.615
  226    HE   ARG  34           HE       ARG  34   4.705  -1.931  -4.991
  227   1HH1  ARG  34          1HH1      ARG  34   3.442  -4.814  -6.522
  228   2HH1  ARG  34          2HH1      ARG  34   4.031  -4.380  -8.102
  229   1HH2  ARG  34          1HH2      ARG  34   5.467  -1.344  -7.076
  230   2HH2  ARG  34          2HH2      ARG  34   5.178  -2.400  -8.418
  231    HA   PRO  35           HA       PRO  35   1.099  -8.665  -0.738
  232   1HB   PRO  35          2HB       PRO  35   3.892  -9.504  -1.286
  233   2HB   PRO  35          1HB       PRO  35   2.374 -10.334  -1.643
  234   1HG   PRO  35          2HG       PRO  35   3.826  -9.119  -3.556
  235   2HG   PRO  35          1HG       PRO  35   2.057  -9.198  -3.611
  236   1HD   PRO  35          2HD       PRO  35   3.826  -6.899  -2.989
  237   2HD   PRO  35          1HD       PRO  35   2.202  -6.921  -3.697
  238    H    LYS  36           H        LYS  36   1.420  -9.501   1.325
  239    HA   LYS  36           HA       LYS  36   2.991  -7.870   3.085
  240   1HB   LYS  36          2HB       LYS  36   0.790  -8.783   3.755
  241   2HB   LYS  36          1HB       LYS  36   1.452 -10.409   3.668
  242   1HG   LYS  36          2HG       LYS  36   3.155  -9.622   5.400
  243   2HG   LYS  36          1HG       LYS  36   2.090  -8.235   5.630
  244   1HD   LYS  36          2HD       LYS  36   1.573  -9.943   7.265
  245   2HD   LYS  36          1HD       LYS  36   0.232  -9.785   6.127
  246   1HE   LYS  36          2HE       LYS  36   1.023 -11.740   4.904
  247   2HE   LYS  36          1HE       LYS  36   2.397 -11.884   5.998
  248   1HZ   LYS  36          1HZ       LYS  36   1.150 -12.867   7.548
  249   2HZ   LYS  36          2HZ       LYS  36   0.044 -13.155   6.301
  250   3HZ   LYS  36          3HZ       LYS  36  -0.162 -11.822   7.323
  251    H    GLY  37           H        GLY  37   5.100  -8.159   2.597
  252   1HA   GLY  37          2HA       GLY  37   7.049  -9.334   3.493
  253   2HA   GLY  37          1HA       GLY  37   6.223 -10.842   3.104
  254    H    TRP  38           H        TRP  38   6.534  -7.888   1.228
  255    HA   TRP  38           HA       TRP  38   7.203  -9.312  -1.151
  256   1HB   TRP  38          2HB       TRP  38   7.101  -7.190  -2.240
  257   2HB   TRP  38          1HB       TRP  38   5.833  -7.180  -1.021
  258    HD1  TRP  38           HD       TRP  38   8.983  -5.399  -2.063
  259    HE1  TRP  38           1HE      TRP  38   9.400  -3.387  -0.524
  260    HE3  TRP  38           3HE      TRP  38   5.460  -6.359   1.516
  261    HZ2  TRP  38           2HZ      TRP  38   8.378  -2.338   1.886
  262    HZ3  TRP  38           3HZ      TRP  38   5.246  -4.802   3.407
  263    HH2  TRP  38           HH       TRP  38   6.676  -2.833   3.587
  Start of MODEL   19
    1   1H    LYS   1          1HT       LYS   1 -14.047  -0.024  -1.801
    2   2H    LYS   1          2HT       LYS   1 -14.026   0.599  -3.369
    3   3H    LYS   1          3HT       LYS   1 -12.693   0.836  -2.349
    4    HA   LYS   1           HA       LYS   1 -13.486  -1.929  -2.850
    5   1HB   LYS   1          2HB       LYS   1 -13.688  -0.901  -5.079
    6   2HB   LYS   1          1HB       LYS   1 -12.092  -0.185  -4.904
    7   1HG   LYS   1          2HG       LYS   1 -11.165  -2.503  -4.729
    8   2HG   LYS   1          1HG       LYS   1 -12.769  -3.104  -5.148
    9   1HD   LYS   1          2HD       LYS   1 -12.683  -1.952  -7.275
   10   2HD   LYS   1          1HD       LYS   1 -11.133  -1.223  -6.847
   11   1HE   LYS   1          2HE       LYS   1 -10.134  -3.468  -6.721
   12   2HE   LYS   1          1HE       LYS   1 -11.678  -4.170  -7.199
   13   1HZ   LYS   1          1HZ       LYS   1 -10.210  -2.205  -8.865
   14   2HZ   LYS   1          2HZ       LYS   1 -11.522  -3.170  -9.319
   15   3HZ   LYS   1          3HZ       LYS   1 -10.016  -3.878  -9.023
   16    H    CYS   2           H        CYS   2 -11.619  -3.297  -2.528
   17    HA   CYS   2           HA       CYS   2  -9.650  -2.006  -0.891
   18   1HB   CYS   2          2HB       CYS   2  -8.689  -4.225  -0.554
   19   2HB   CYS   2          1HB       CYS   2 -10.417  -4.222  -0.265
   20    H    LEU   3           H        LEU   3  -7.521  -1.871  -1.210
   21    HA   LEU   3           HA       LEU   3  -6.709  -1.375  -3.928
   22   1HB   LEU   3          2HB       LEU   3  -5.223  -1.121  -1.316
   23   2HB   LEU   3          1HB       LEU   3  -4.695  -0.481  -2.854
   24    HG   LEU   3           HG       LEU   3  -7.241   0.354  -1.477
   25   1HD1  LEU   3          1HD1      LEU   3  -5.084   2.302  -1.645
   26   2HD1  LEU   3          2HD1      LEU   3  -4.718   0.928  -0.602
   27   3HD1  LEU   3          3HD1      LEU   3  -6.156   1.904  -0.304
   28   1HD2  LEU   3          1HD2      LEU   3  -7.012   0.587  -4.000
   29   2HD2  LEU   3          2HD2      LEU   3  -5.763   1.786  -3.665
   30   3HD2  LEU   3          3HD2      LEU   3  -7.411   2.048  -3.096
   31    H    ALA   4           H        ALA   4  -5.564  -2.724  -5.190
   32    HA   ALA   4           HA       ALA   4  -4.844  -5.320  -4.201
   33   1HB   ALA   4          1HB       ALA   4  -4.780  -5.958  -6.364
   34   2HB   ALA   4          2HB       ALA   4  -3.909  -4.514  -6.878
   35   3HB   ALA   4          3HB       ALA   4  -5.651  -4.445  -6.612
   36    H    GLU   5           H        GLU   5  -2.562  -6.010  -5.508
   37    HA   GLU   5           HA       GLU   5  -0.589  -4.847  -3.813
   38   1HB   GLU   5          2HB       GLU   5   0.972  -6.403  -5.048
   39   2HB   GLU   5          1HB       GLU   5  -0.348  -7.156  -4.169
   40   1HG   GLU   5          2HG       GLU   5  -1.599  -7.304  -6.317
   41   2HG   GLU   5          1HG       GLU   5  -0.143  -6.730  -7.136
   42    H    ALA   6           H        ALA   6   0.856  -3.428  -4.198
   43    HA   ALA   6           HA       ALA   6   2.093  -1.795  -5.142
   44   1HB   ALA   6          1HB       ALA   6   3.014  -3.254  -6.756
   45   2HB   ALA   6          2HB       ALA   6   2.460  -1.841  -7.653
   46   3HB   ALA   6          3HB       ALA   6   1.507  -3.325  -7.668
   47    H    ALA   7           H        ALA   7  -0.669  -1.529  -4.544
   48    HA   ALA   7           HA       ALA   7  -1.492   0.473  -6.549
   49   1HB   ALA   7          1HB       ALA   7  -3.680  -0.041  -6.205
   50   2HB   ALA   7          2HB       ALA   7  -3.431  -0.444  -4.505
   51   3HB   ALA   7          3HB       ALA   7  -2.981  -1.599  -5.760
   52    H    ASP   8           H        ASP   8  -1.709   2.574  -5.924
   53    HA   ASP   8           HA       ASP   8  -0.441   3.486  -3.619
   54   1HB   ASP   8          2HB       ASP   8  -1.377   5.690  -4.163
   55   2HB   ASP   8          1HB       ASP   8  -0.745   4.888  -5.595
   56    H    CYS   9           H        CYS   9  -1.171   4.373  -1.686
   57    HA   CYS   9           HA       CYS   9  -3.976   3.921  -1.007
   58   1HB   CYS   9          2HB       CYS   9  -3.118   3.117   1.299
   59   2HB   CYS   9          1HB       CYS   9  -3.174   1.988  -0.039
   60    H    SER  10           H        SER  10  -4.784   5.138   0.638
   61    HA   SER  10           HA       SER  10  -3.545   7.715   0.919
   62   1HB   SER  10          2HB       SER  10  -6.077   6.685   2.213
   63   2HB   SER  10          1HB       SER  10  -5.607   8.371   1.992
   64    HG   SER  10           HG       SER  10  -6.897   8.028   0.302
   65    HA   PRO  11           HA       PRO  11  -1.407   6.653   4.681
   66   1HB   PRO  11          2HB       PRO  11  -0.503   9.140   5.248
   67   2HB   PRO  11          1HB       PRO  11   0.184   8.149   3.956
   68   1HG   PRO  11          2HG       PRO  11  -1.869  10.329   3.771
   69   2HG   PRO  11          1HG       PRO  11  -0.426  10.080   2.781
   70   1HD   PRO  11          2HD       PRO  11  -2.851   9.331   1.930
   71   2HD   PRO  11          1HD       PRO  11  -1.402   8.377   1.552
   72    H    TRP  12           H        TRP  12  -3.505   9.538   4.618
   73    HA   TRP  12           HA       TRP  12  -3.835   9.513   7.467
   74   1HB   TRP  12          2HB       TRP  12  -5.302  11.091   5.345
   75   2HB   TRP  12          1HB       TRP  12  -5.446  11.350   7.079
   76    HD1  TRP  12           HD       TRP  12  -3.209  12.309   8.342
   77    HE1  TRP  12           1HE      TRP  12  -1.345  13.841   7.449
   78    HE3  TRP  12           3HE      TRP  12  -3.985  11.701   3.325
   79    HZ2  TRP  12           2HZ      TRP  12  -0.341  14.689   4.952
   80    HZ3  TRP  12           3HZ      TRP  12  -2.535  12.915   1.751
   81    HH2  TRP  12           HH       TRP  12  -0.750  14.377   2.550
   82    H    SER  13           H        SER  13  -5.905   8.748   4.685
   83    HA   SER  13           HA       SER  13  -7.257   6.664   6.003
   84   1HB   SER  13          2HB       SER  13  -8.214   8.610   7.285
   85   2HB   SER  13          1HB       SER  13  -8.923   9.184   5.777
   86    HG   SER  13           HG       SER  13  -9.774   7.230   7.451
   87    H    GLY  14           H        GLY  14  -8.457   5.476   4.591
   88   1HA   GLY  14          2HA       GLY  14  -9.754   6.383   2.293
   89   2HA   GLY  14          1HA       GLY  14  -8.127   5.902   1.827
   90    H    ASP  15           H        ASP  15  -9.227   4.254   0.531
   91    HA   ASP  15           HA       ASP  15 -10.721   2.186   1.784
   92   1HB   ASP  15          2HB       ASP  15  -9.624   2.660  -0.915
   93   2HB   ASP  15          1HB       ASP  15  -9.854   0.983  -0.469
   94    H    SER  16           H        SER  16 -10.124   0.091   2.224
   95    HA   SER  16           HA       SER  16  -7.430  -0.188   3.216
   96   1HB   SER  16          2HB       SER  16  -9.635  -2.247   3.278
   97   2HB   SER  16          1HB       SER  16  -8.217  -2.161   4.319
   98    HG   SER  16           HG       SER  16  -9.577   0.149   4.449
   99    H    CYS  17           H        CYS  17  -5.979  -1.832   2.639
  100    HA   CYS  17           HA       CYS  17  -5.948  -2.474  -0.154
  101   1HB   CYS  17          2HB       CYS  17  -4.137  -3.697   1.923
  102   2HB   CYS  17          1HB       CYS  17  -3.792  -3.359   0.232
  103    H    CYS  18           H        CYS  18  -6.165  -4.514  -1.107
  104    HA   CYS  18           HA       CYS  18  -7.992  -6.336   0.029
  105   1HB   CYS  18          2HB       CYS  18  -6.039  -6.844  -2.230
  106   2HB   CYS  18          1HB       CYS  18  -7.489  -7.770  -1.882
  107    H    LYS  19           H        LYS  19  -7.683  -8.366   0.873
  108    HA   LYS  19           HA       LYS  19  -5.226  -8.693   2.316
  109   1HB   LYS  19          2HB       LYS  19  -6.347 -10.703   3.233
  110   2HB   LYS  19          1HB       LYS  19  -7.290  -9.241   3.430
  111   1HG   LYS  19          2HG       LYS  19  -8.700  -9.869   1.562
  112   2HG   LYS  19          1HG       LYS  19  -7.720 -11.310   1.286
  113   1HD   LYS  19          2HD       LYS  19  -9.215 -10.731   3.836
  114   2HD   LYS  19          1HD       LYS  19  -9.837 -11.738   2.528
  115   1HE   LYS  19          2HE       LYS  19  -7.899 -13.234   2.788
  116   2HE   LYS  19          1HE       LYS  19  -7.326 -12.237   4.125
  117   1HZ   LYS  19          1HZ       LYS  19  -8.852 -14.388   4.444
  118   2HZ   LYS  19          2HZ       LYS  19 -10.056 -13.203   4.344
  119   3HZ   LYS  19          3HZ       LYS  19  -8.851 -13.085   5.525
  120    HA   PRO  20           HA       PRO  20  -4.070  -9.889   3.149
  121   1HB   PRO  20          2HB       PRO  20  -1.879 -11.384   3.409
  122   2HB   PRO  20          1HB       PRO  20  -3.485 -12.121   3.421
  123   1HG   PRO  20          2HG       PRO  20  -1.395 -12.219   1.340
  124   2HG   PRO  20          1HG       PRO  20  -2.752 -13.322   1.621
  125   1HD   PRO  20          2HD       PRO  20  -2.571 -11.091  -0.241
  126   2HD   PRO  20          1HD       PRO  20  -3.851 -12.314  -0.091
  127    H    TYR  21           H        TYR  21  -3.406  -8.135   0.887
  128    HA   TYR  21           HA       TYR  21  -0.570  -7.685   0.905
  129   1HB   TYR  21          2HB       TYR  21  -2.711  -5.757  -0.041
  130   2HB   TYR  21          1HB       TYR  21  -1.004  -5.749  -0.466
  131    HD1  TYR  21           1HD      TYR  21  -0.358  -8.433  -1.190
  132    HD2  TYR  21           2HD      TYR  21  -3.969  -6.301  -1.909
  133    HE1  TYR  21           1HE      TYR  21  -0.821  -9.882  -3.120
  134    HE2  TYR  21           2HE      TYR  21  -4.442  -7.745  -3.842
  135    HH   TYR  21           HH       TYR  21  -2.141  -9.742  -5.264
  136    H    LEU  22           H        LEU  22  -0.359  -4.890   1.127
  137    HA   LEU  22           HA       LEU  22  -1.367  -3.976   3.649
  138   1HB   LEU  22          2HB       LEU  22   0.288  -5.644   4.397
  139   2HB   LEU  22          1HB       LEU  22   1.528  -4.820   3.475
  140    HG   LEU  22           HG       LEU  22   1.035  -2.783   4.949
  141   1HD1  LEU  22          1HD1      LEU  22  -0.233  -4.916   6.656
  142   2HD1  LEU  22          2HD1      LEU  22  -1.102  -3.624   5.826
  143   3HD1  LEU  22          3HD1      LEU  22   0.046  -3.233   7.108
  144   1HD2  LEU  22          1HD2      LEU  22   2.901  -3.366   6.012
  145   2HD2  LEU  22          2HD2      LEU  22   2.772  -4.932   5.211
  146   3HD2  LEU  22          3HD2      LEU  22   2.099  -4.709   6.826
  147    H    CYS  23           H        CYS  23  -1.251  -1.785   3.713
  148    HA   CYS  23           HA       CYS  23  -0.113  -0.352   1.523
  149   1HB   CYS  23          2HB       CYS  23  -2.128   0.482   2.640
  150   2HB   CYS  23          1HB       CYS  23  -1.242   0.648   4.151
  151    H    SER  24           H        SER  24   1.885   0.458   1.337
  152    HA   SER  24           HA       SER  24   3.482   0.870   3.749
  153   1HB   SER  24          2HB       SER  24   5.402  -0.334   2.592
  154   2HB   SER  24          1HB       SER  24   4.080  -1.364   3.136
  155    HG   SER  24           HG       SER  24   3.473  -0.589   0.700
  156    H    CYS  25           H        CYS  25   4.691   2.658   3.642
  157    HA   CYS  25           HA       CYS  25   4.898   4.011   1.038
  158   1HB   CYS  25          2HB       CYS  25   3.644   4.971   3.219
  159   2HB   CYS  25          1HB       CYS  25   5.274   5.539   3.562
  160    H    ILE  26           H        ILE  26   6.816   2.704   0.655
  161    HA   ILE  26           HA       ILE  26   9.117   3.242   2.344
  162    HB   ILE  26           HB       ILE  26  10.345   1.692   0.836
  163   1HG1  ILE  26          2HG1      ILE  26   8.702   2.117  -1.125
  164   2HG1  ILE  26          1HG1      ILE  26   9.342   0.495  -0.902
  165   1HG2  ILE  26          1HG2      ILE  26   8.953  -0.351   1.539
  166   2HG2  ILE  26          2HG2      ILE  26   7.892   0.829   2.308
  167   3HG2  ILE  26          3HG2      ILE  26   9.585   0.718   2.790
  168   1HD1  ILE  26          1HD1      ILE  26   6.645   1.396   0.085
  169   2HD1  ILE  26          2HD1      ILE  26   7.283  -0.249   0.064
  170   3HD1  ILE  26          3HD1      ILE  26   6.926   0.578  -1.453
  171    H    PHE  27           H        PHE  27  11.198   3.222   0.621
  172    HA   PHE  27           HA       PHE  27  11.128   5.927  -0.376
  173   1HB   PHE  27          2HB       PHE  27  13.332   3.872  -0.267
  174   2HB   PHE  27          1HB       PHE  27  13.552   5.515  -0.854
  175    HD1  PHE  27           1HD      PHE  27  14.443   7.025   0.609
  176    HD2  PHE  27           2HD      PHE  27  12.169   3.781   2.164
  177    HE1  PHE  27           1HE      PHE  27  14.935   7.782   2.897
  178    HE2  PHE  27           2HE      PHE  27  12.652   4.536   4.454
  179    HZ   PHE  27           HZ       PHE  27  14.037   6.538   4.823
  180    H    PHE  28           H        PHE  28  11.852   2.736  -1.759
  181    HA   PHE  28           HA       PHE  28  12.254   3.599  -4.398
  182   1HB   PHE  28          2HB       PHE  28  11.458   0.914  -3.272
  183   2HB   PHE  28          1HB       PHE  28  11.765   1.174  -4.984
  184    HD1  PHE  28           1HD      PHE  28  13.797   0.421  -5.682
  185    HD2  PHE  28           2HD      PHE  28  13.478   2.081  -1.777
  186    HE1  PHE  28           1HE      PHE  28  16.196   0.017  -5.319
  187    HE2  PHE  28           2HE      PHE  28  15.877   1.683  -1.408
  188    HZ   PHE  28           HZ       PHE  28  17.239   0.651  -3.180
  189    H    TYR  29           H        TYR  29   9.384   2.888  -2.613
  190    HA   TYR  29           HA       TYR  29   7.761   3.764  -4.885
  191   1HB   TYR  29          2HB       TYR  29   7.254   1.258  -3.263
  192   2HB   TYR  29          1HB       TYR  29   6.033   2.023  -4.267
  193    HD1  TYR  29           1HD      TYR  29   5.911   1.571  -6.566
  194    HD2  TYR  29           2HD      TYR  29   9.343   0.344  -4.374
  195    HE1  TYR  29           1HE      TYR  29   6.656   0.236  -8.491
  196    HE2  TYR  29           2HE      TYR  29  10.102  -0.987  -6.296
  197    HH   TYR  29           HH       TYR  29   9.277  -0.637  -9.223
  198    HA   PRO  30           HA       PRO  30   6.116   6.298  -1.631
  199   1HB   PRO  30          2HB       PRO  30   3.748   6.607  -3.358
  200   2HB   PRO  30          1HB       PRO  30   4.877   7.832  -2.775
  201   1HG   PRO  30          2HG       PRO  30   4.846   7.057  -5.345
  202   2HG   PRO  30          1HG       PRO  30   6.353   7.495  -4.517
  203   1HD   PRO  30          2HD       PRO  30   5.253   4.781  -5.146
  204   2HD   PRO  30          1HD       PRO  30   6.926   5.370  -5.249
  205    H    CYS  31           H        CYS  31   3.530   6.637  -0.929
  206    HA   CYS  31           HA       CYS  31   2.932   4.365   0.576
  207   1HB   CYS  31          2HB       CYS  31   1.145   6.669  -0.232
  208   2HB   CYS  31          1HB       CYS  31   0.715   5.461   0.970
  209    H    SER  32           H        SER  32   2.586   2.467  -0.390
  210    HA   SER  32           HA       SER  32   0.232   2.183  -2.070
  211   1HB   SER  32          2HB       SER  32   1.643   0.758  -3.687
  212   2HB   SER  32          1HB       SER  32   1.800   2.505  -3.820
  213    HG   SER  32           HG       SER  32   3.684   2.293  -2.431
  214    H    CYS  33           H        CYS  33  -0.712   0.189  -1.898
  215    HA   CYS  33           HA       CYS  33   0.176  -1.507   0.241
  216   1HB   CYS  33          2HB       CYS  33  -1.969  -2.179  -1.782
  217   2HB   CYS  33          1HB       CYS  33  -1.784  -2.804  -0.157
  218    H    ARG  34           H        ARG  34   1.591  -3.080   0.022
  219    HA   ARG  34           HA       ARG  34   2.065  -4.187  -2.675
  220   1HB   ARG  34          2HB       ARG  34   4.143  -4.181  -0.494
  221   2HB   ARG  34          1HB       ARG  34   4.372  -4.360  -2.225
  222   1HG   ARG  34          2HG       ARG  34   3.687  -1.833  -0.742
  223   2HG   ARG  34          1HG       ARG  34   5.225  -2.238  -1.497
  224   1HD   ARG  34          2HD       ARG  34   2.607  -1.847  -2.943
  225   2HD   ARG  34          1HD       ARG  34   3.897  -0.655  -2.831
  226    HE   ARG  34           HE       ARG  34   3.702  -2.703  -4.715
  227   1HH1  ARG  34          1HH1      ARG  34   6.110  -1.233  -2.645
  228   2HH1  ARG  34          2HH1      ARG  34   7.439  -1.645  -3.677
  229   1HH2  ARG  34          1HH2      ARG  34   5.453  -3.242  -6.092
  230   2HH2  ARG  34          2HH2      ARG  34   7.064  -2.786  -5.645
  231    HA   PRO  35           HA       PRO  35   1.133  -8.248  -1.236
  232   1HB   PRO  35          2HB       PRO  35   3.897  -9.140  -1.827
  233   2HB   PRO  35          1HB       PRO  35   2.358  -9.773  -2.417
  234   1HG   PRO  35          2HG       PRO  35   3.998  -8.297  -3.965
  235   2HG   PRO  35          1HG       PRO  35   2.234  -8.251  -4.130
  236   1HD   PRO  35          2HD       PRO  35   4.078  -6.245  -2.957
  237   2HD   PRO  35          1HD       PRO  35   2.508  -6.017  -3.745
  238    H    LYS  36           H        LYS  36   1.539  -9.729   0.516
  239    HA   LYS  36           HA       LYS  36   2.888  -8.465   2.720
  240   1HB   LYS  36          2HB       LYS  36   0.731  -9.780   2.889
  241   2HB   LYS  36          1HB       LYS  36   1.680 -11.235   2.631
  242   1HG   LYS  36          2HG       LYS  36   1.146 -10.796   5.004
  243   2HG   LYS  36          1HG       LYS  36   2.875 -10.900   4.676
  244   1HD   LYS  36          2HD       LYS  36   2.198  -9.045   6.226
  245   2HD   LYS  36          1HD       LYS  36   3.125  -8.533   4.817
  246   1HE   LYS  36          2HE       LYS  36   1.247  -7.024   5.293
  247   2HE   LYS  36          1HE       LYS  36   1.099  -7.792   3.714
  248   1HZ   LYS  36          1HZ       LYS  36  -0.907  -7.655   5.381
  249   2HZ   LYS  36          2HZ       LYS  36  -0.223  -9.083   5.979
  250   3HZ   LYS  36          3HZ       LYS  36  -0.699  -8.984   4.354
  251    H    GLY  37           H        GLY  37   4.992  -8.571   2.928
  252   1HA   GLY  37          2HA       GLY  37   7.075  -9.580   3.238
  253   2HA   GLY  37          1HA       GLY  37   6.380 -11.113   2.716
  254    H    TRP  38           H        TRP  38   6.508  -7.925   1.201
  255    HA   TRP  38           HA       TRP  38   7.030  -8.966  -1.378
  256   1HB   TRP  38          2HB       TRP  38   7.073  -6.675  -2.104
  257   2HB   TRP  38          1HB       TRP  38   5.818  -6.816  -0.881
  258    HD1  TRP  38           HD       TRP  38   9.437  -5.521  -1.252
  259    HE1  TRP  38           1HE      TRP  38   9.813  -3.645   0.461
  260    HE3  TRP  38           3HE      TRP  38   4.955  -5.737   1.210
  261    HZ2  TRP  38           2HZ      TRP  38   8.407  -2.415   2.570
  262    HZ3  TRP  38           3HZ      TRP  38   4.557  -4.179   3.065
  263    HH2  TRP  38           HH       TRP  38   6.248  -2.549   3.729
  Start of MODEL   20
    1   1H    LYS   1          1HT       LYS   1 -14.581  -5.020  -2.324
    2   2H    LYS   1          2HT       LYS   1 -15.604  -3.691  -2.101
    3   3H    LYS   1          3HT       LYS   1 -14.417  -4.047  -0.948
    4    HA   LYS   1           HA       LYS   1 -13.424  -3.647  -3.626
    5   1HB   LYS   1          2HB       LYS   1 -15.280  -1.976  -3.417
    6   2HB   LYS   1          1HB       LYS   1 -14.495  -1.334  -1.983
    7   1HG   LYS   1          2HG       LYS   1 -12.709  -0.456  -3.212
    8   2HG   LYS   1          1HG       LYS   1 -13.083  -1.442  -4.627
    9   1HD   LYS   1          2HD       LYS   1 -13.754   0.829  -5.062
   10   2HD   LYS   1          1HD       LYS   1 -15.198  -0.169  -4.896
   11   1HE   LYS   1          2HE       LYS   1 -15.652   1.811  -3.703
   12   2HE   LYS   1          1HE       LYS   1 -15.280   0.597  -2.481
   13   1HZ   LYS   1          1HZ       LYS   1 -14.194   2.726  -2.038
   14   2HZ   LYS   1          2HZ       LYS   1 -13.363   2.621  -3.502
   15   3HZ   LYS   1          3HZ       LYS   1 -13.058   1.494  -2.276
   16    H    CYS   2           H        CYS   2 -11.262  -3.342  -3.456
   17    HA   CYS   2           HA       CYS   2 -10.023  -2.272  -1.094
   18   1HB   CYS   2          2HB       CYS   2  -8.692  -4.328  -0.623
   19   2HB   CYS   2          1HB       CYS   2 -10.402  -4.499  -0.253
   20    H    LEU   3           H        LEU   3  -7.725  -2.109  -1.335
   21    HA   LEU   3           HA       LEU   3  -7.002  -1.468  -4.040
   22   1HB   LEU   3          2HB       LEU   3  -5.436  -1.345  -1.465
   23   2HB   LEU   3          1HB       LEU   3  -4.931  -0.650  -2.988
   24    HG   LEU   3           HG       LEU   3  -7.369   0.167  -1.418
   25   1HD1  LEU   3          1HD1      LEU   3  -5.088   1.990  -1.927
   26   2HD1  LEU   3          2HD1      LEU   3  -4.901   0.756  -0.681
   27   3HD1  LEU   3          3HD1      LEU   3  -6.214   1.929  -0.572
   28   1HD2  LEU   3          1HD2      LEU   3  -6.645   2.105  -3.327
   29   2HD2  LEU   3          2HD2      LEU   3  -8.098   1.104  -3.292
   30   3HD2  LEU   3          3HD2      LEU   3  -6.667   0.552  -4.164
   31    H    ALA   4           H        ALA   4  -5.747  -2.630  -5.400
   32    HA   ALA   4           HA       ALA   4  -5.077  -5.325  -4.675
   33   1HB   ALA   4          1HB       ALA   4  -5.935  -4.842  -6.890
   34   2HB   ALA   4          2HB       ALA   4  -4.313  -5.523  -7.003
   35   3HB   ALA   4          3HB       ALA   4  -4.557  -3.790  -7.217
   36    H    GLU   5           H        GLU   5  -2.767  -5.823  -6.074
   37    HA   GLU   5           HA       GLU   5  -0.801  -5.038  -4.181
   38   1HB   GLU   5          2HB       GLU   5   0.739  -6.336  -5.713
   39   2HB   GLU   5          1HB       GLU   5  -0.607  -7.229  -5.022
   40   1HG   GLU   5          2HG       GLU   5  -1.821  -6.679  -7.222
   41   2HG   GLU   5          1HG       GLU   5  -0.211  -6.300  -7.836
   42    H    ALA   6           H        ALA   6   0.644  -3.537  -4.249
   43    HA   ALA   6           HA       ALA   6   1.850  -1.716  -4.831
   44   1HB   ALA   6          1HB       ALA   6   1.496  -2.319  -7.742
   45   2HB   ALA   6          2HB       ALA   6   2.525  -3.337  -6.734
   46   3HB   ALA   6          3HB       ALA   6   2.882  -1.618  -6.905
   47    H    ALA   7           H        ALA   7  -0.935  -1.501  -4.408
   48    HA   ALA   7           HA       ALA   7  -1.771   0.534  -6.363
   49   1HB   ALA   7          1HB       ALA   7  -3.748   0.001  -4.345
   50   2HB   ALA   7          2HB       ALA   7  -3.178  -1.505  -5.063
   51   3HB   ALA   7          3HB       ALA   7  -3.838  -0.233  -6.091
   52    H    ASP   8           H        ASP   8  -2.049   2.666  -5.811
   53    HA   ASP   8           HA       ASP   8  -0.647   3.727  -3.647
   54   1HB   ASP   8          2HB       ASP   8  -1.812   5.860  -4.166
   55   2HB   ASP   8          1HB       ASP   8  -1.131   5.082  -5.589
   56    H    CYS   9           H        CYS   9  -1.202   4.492  -1.639
   57    HA   CYS   9           HA       CYS   9  -3.949   4.334  -0.723
   58   1HB   CYS   9          2HB       CYS   9  -3.369   2.885   1.214
   59   2HB   CYS   9          1HB       CYS   9  -3.273   2.053  -0.328
   60    H    SER  10           H        SER  10  -4.044   4.880   1.658
   61    HA   SER  10           HA       SER  10  -1.898   6.466   2.726
   62   1HB   SER  10          2HB       SER  10  -4.490   7.796   1.887
   63   2HB   SER  10          1HB       SER  10  -3.271   8.542   2.918
   64    HG   SER  10           HG       SER  10  -2.260   7.519   0.579
   65    HA   PRO  11           HA       PRO  11  -3.837   4.544   6.245
   66   1HB   PRO  11          2HB       PRO  11  -2.016   6.369   7.719
   67   2HB   PRO  11          1HB       PRO  11  -2.170   4.609   7.811
   68   1HG   PRO  11          2HG       PRO  11  -0.083   5.664   6.581
   69   2HG   PRO  11          1HG       PRO  11  -0.931   4.276   5.868
   70   1HD   PRO  11          2HD       PRO  11  -1.178   7.181   5.158
   71   2HD   PRO  11          1HD       PRO  11  -0.958   5.780   4.085
   72    H    TRP  12           H        TRP  12  -3.507   8.027   5.921
   73    HA   TRP  12           HA       TRP  12  -5.297   8.593   8.092
   74   1HB   TRP  12          2HB       TRP  12  -4.083  10.334   5.946
   75   2HB   TRP  12          1HB       TRP  12  -5.195  10.952   7.161
   76    HD1  TRP  12           HD       TRP  12  -4.230  11.511   9.505
   77    HE1  TRP  12           1HE      TRP  12  -1.881  11.429  10.547
   78    HE3  TRP  12           3HE      TRP  12  -1.802   8.887   5.845
   79    HZ2  TRP  12           2HZ      TRP  12   0.664  10.399   9.906
   80    HZ3  TRP  12           3HZ      TRP  12   0.592   8.401   6.138
   81    HH2  TRP  12           HH       TRP  12   1.799   9.142   8.127
   82    H    SER  13           H        SER  13  -5.634   7.807   4.779
   83    HA   SER  13           HA       SER  13  -8.430   7.630   4.896
   84   1HB   SER  13          2HB       SER  13  -8.184  10.162   4.882
   85   2HB   SER  13          1HB       SER  13  -7.535  10.009   3.251
   86    HG   SER  13           HG       SER  13 -10.127   9.749   4.163
   87    H    GLY  14           H        GLY  14  -8.948   6.149   3.416
   88   1HA   GLY  14          2HA       GLY  14  -8.512   6.084   0.754
   89   2HA   GLY  14          1HA       GLY  14  -7.015   5.424   1.400
   90    H    ASP  15           H        ASP  15  -8.623   3.917  -0.244
   91    HA   ASP  15           HA       ASP  15 -10.465   2.269   1.128
   92   1HB   ASP  15          2HB       ASP  15  -9.176   2.278  -1.506
   93   2HB   ASP  15          1HB       ASP  15  -9.502   0.666  -0.888
   94    H    SER  16           H        SER  16 -10.191   0.008   1.635
   95    HA   SER  16           HA       SER  16  -7.740  -0.440   3.068
   96   1HB   SER  16          2HB       SER  16  -9.958  -2.435   2.693
   97   2HB   SER  16          1HB       SER  16  -8.812  -2.323   4.024
   98    HG   SER  16           HG       SER  16 -10.046  -0.012   3.935
   99    H    CYS  17           H        CYS  17  -6.185  -1.944   2.603
  100    HA   CYS  17           HA       CYS  17  -5.862  -2.628  -0.156
  101   1HB   CYS  17          2HB       CYS  17  -4.239  -3.682   2.170
  102   2HB   CYS  17          1HB       CYS  17  -3.741  -3.538   0.490
  103    H    CYS  18           H        CYS  18  -6.029  -4.647  -1.115
  104    HA   CYS  18           HA       CYS  18  -7.826  -6.529   0.002
  105   1HB   CYS  18          2HB       CYS  18  -5.874  -6.900  -2.290
  106   2HB   CYS  18          1HB       CYS  18  -7.229  -7.954  -1.920
  107    H    LYS  19           H        LYS  19  -7.415  -8.555   0.864
  108    HA   LYS  19           HA       LYS  19  -4.949  -8.724   2.311
  109   1HB   LYS  19          2HB       LYS  19  -5.938 -10.775   3.259
  110   2HB   LYS  19          1HB       LYS  19  -6.997  -9.390   3.403
  111   1HG   LYS  19          2HG       LYS  19  -8.319 -10.181   1.526
  112   2HG   LYS  19          1HG       LYS  19  -7.226 -11.550   1.316
  113   1HD   LYS  19          2HD       LYS  19  -7.816 -12.341   3.570
  114   2HD   LYS  19          1HD       LYS  19  -8.937 -10.989   3.739
  115   1HE   LYS  19          2HE       LYS  19 -10.229 -11.814   1.840
  116   2HE   LYS  19          1HE       LYS  19  -9.095 -13.150   1.639
  117   1HZ   LYS  19          1HZ       LYS  19 -11.105 -12.722   3.741
  118   2HZ   LYS  19          2HZ       LYS  19  -9.726 -13.637   4.091
  119   3HZ   LYS  19          3HZ       LYS  19 -10.767 -14.118   2.848
  120    HA   PRO  20           HA       PRO  20  -3.712  -9.788   3.158
  121   1HB   PRO  20          2HB       PRO  20  -1.404 -11.087   3.458
  122   2HB   PRO  20          1HB       PRO  20  -2.942 -11.956   3.481
  123   1HG   PRO  20          2HG       PRO  20  -0.844 -11.918   1.405
  124   2HG   PRO  20          1HG       PRO  20  -2.095 -13.132   1.714
  125   1HD   PRO  20          2HD       PRO  20  -2.113 -10.947  -0.207
  126   2HD   PRO  20          1HD       PRO  20  -3.286 -12.268  -0.017
  127    H    TYR  21           H        TYR  21  -3.102  -8.162   0.716
  128    HA   TYR  21           HA       TYR  21  -0.357  -7.405   0.812
  129   1HB   TYR  21          2HB       TYR  21  -2.662  -5.781  -0.297
  130   2HB   TYR  21          1HB       TYR  21  -0.951  -5.576  -0.650
  131    HD1  TYR  21           1HD      TYR  21   0.268  -7.576  -1.723
  132    HD2  TYR  21           2HD      TYR  21  -3.963  -7.155  -1.691
  133    HE1  TYR  21           1HE      TYR  21   0.107  -9.140  -3.610
  134    HE2  TYR  21           2HE      TYR  21  -4.138  -8.722  -3.581
  135    HH   TYR  21           HH       TYR  21  -1.419  -9.698  -5.419
  136    H    LEU  22           H        LEU  22   0.448  -5.267   1.421
  137    HA   LEU  22           HA       LEU  22  -1.015  -4.134   3.714
  138   1HB   LEU  22          2HB       LEU  22   0.701  -5.700   4.485
  139   2HB   LEU  22          1HB       LEU  22   1.917  -4.829   3.575
  140    HG   LEU  22           HG       LEU  22   1.389  -2.819   5.029
  141   1HD1  LEU  22          1HD1      LEU  22   0.231  -3.150   7.080
  142   2HD1  LEU  22          2HD1      LEU  22   0.079  -4.882   6.780
  143   3HD1  LEU  22          3HD1      LEU  22  -0.812  -3.733   5.782
  144   1HD2  LEU  22          1HD2      LEU  22   2.563  -5.342   6.171
  145   2HD2  LEU  22          2HD2      LEU  22   2.633  -3.789   7.004
  146   3HD2  LEU  22          3HD2      LEU  22   3.408  -3.982   5.432
  147    H    CYS  23           H        CYS  23  -1.129  -1.977   3.740
  148    HA   CYS  23           HA       CYS  23  -0.023  -0.395   1.639
  149   1HB   CYS  23          2HB       CYS  23  -2.180   0.169   2.691
  150   2HB   CYS  23          1HB       CYS  23  -1.366   0.443   4.224
  151    H    SER  24           H        SER  24   1.936   0.507   1.552
  152    HA   SER  24           HA       SER  24   3.307   1.242   4.011
  153   1HB   SER  24          2HB       SER  24   5.404   0.059   2.944
  154   2HB   SER  24          1HB       SER  24   4.260  -0.879   3.903
  155    HG   SER  24           HG       SER  24   3.264  -1.520   1.955
  156    H    CYS  25           H        CYS  25   4.835   2.838   3.742
  157    HA   CYS  25           HA       CYS  25   4.959   4.043   1.060
  158   1HB   CYS  25          2HB       CYS  25   3.943   5.197   3.301
  159   2HB   CYS  25          1HB       CYS  25   5.625   5.699   3.427
  160    H    ILE  26           H        ILE  26   6.700   2.297   0.970
  161    HA   ILE  26           HA       ILE  26   9.139   2.885   2.382
  162    HB   ILE  26           HB       ILE  26  10.114   1.008   1.042
  163   1HG1  ILE  26          2HG1      ILE  26   8.413   1.219  -0.862
  164   2HG1  ILE  26          1HG1      ILE  26   8.793  -0.408  -0.315
  165   1HG2  ILE  26          1HG2      ILE  26   8.272  -0.636   2.158
  166   2HG2  ILE  26          2HG2      ILE  26   7.969   0.872   3.022
  167   3HG2  ILE  26          3HG2      ILE  26   9.582   0.158   3.032
  168   1HD1  ILE  26          1HD1      ILE  26   6.548   0.569   1.148
  169   2HD1  ILE  26          2HD1      ILE  26   6.658  -0.810   0.054
  170   3HD1  ILE  26          3HD1      ILE  26   6.272   0.790  -0.580
  171    H    PHE  27           H        PHE  27  11.124   2.391   0.629
  172    HA   PHE  27           HA       PHE  27  11.314   4.921  -0.735
  173   1HB   PHE  27          2HB       PHE  27  13.261   2.645  -0.405
  174   2HB   PHE  27          1HB       PHE  27  13.647   4.143  -1.239
  175    HD1  PHE  27           1HD      PHE  27  12.194   3.079   2.045
  176    HD2  PHE  27           2HD      PHE  27  14.806   5.707  -0.048
  177    HE1  PHE  27           1HE      PHE  27  12.866   4.103   4.177
  178    HE2  PHE  27           2HE      PHE  27  15.483   6.735   2.082
  179    HZ   PHE  27           HZ       PHE  27  14.513   5.933   4.199
  180    H    PHE  28           H        PHE  28  11.607   1.514  -1.703
  181    HA   PHE  28           HA       PHE  28  12.018   1.935  -4.432
  182   1HB   PHE  28          2HB       PHE  28  12.356  -0.218  -3.175
  183   2HB   PHE  28          1HB       PHE  28  10.610  -0.434  -3.183
  184    HD1  PHE  28           1HD      PHE  28  10.347  -2.352  -4.477
  185    HD2  PHE  28           2HD      PHE  28  12.752   0.843  -5.933
  186    HE1  PHE  28           1HE      PHE  28  10.503  -3.470  -6.662
  187    HE2  PHE  28           2HE      PHE  28  12.909  -0.268  -8.122
  188    HZ   PHE  28           HZ       PHE  28  11.783  -2.428  -8.489
  189    H    TYR  29           H        TYR  29   9.128   1.837  -2.526
  190    HA   TYR  29           HA       TYR  29   7.576   2.833  -4.793
  191   1HB   TYR  29          2HB       TYR  29   6.982   0.340  -3.238
  192   2HB   TYR  29          1HB       TYR  29   5.641   1.351  -3.755
  193    HD1  TYR  29           1HD      TYR  29   4.688   0.972  -5.817
  194    HD2  TYR  29           2HD      TYR  29   8.677  -0.338  -5.142
  195    HE1  TYR  29           1HE      TYR  29   4.686  -0.142  -8.008
  196    HE2  TYR  29           2HE      TYR  29   8.689  -1.449  -7.334
  197    HH   TYR  29           HH       TYR  29   6.870  -0.846  -9.717
  198    HA   PRO  30           HA       PRO  30   6.419   5.641  -1.553
  199   1HB   PRO  30          2HB       PRO  30   4.257   6.776  -2.770
  200   2HB   PRO  30          1HB       PRO  30   5.927   7.184  -3.181
  201   1HG   PRO  30          2HG       PRO  30   4.030   5.333  -4.570
  202   2HG   PRO  30          1HG       PRO  30   5.157   6.510  -5.267
  203   1HD   PRO  30          2HD       PRO  30   5.701   3.863  -5.173
  204   2HD   PRO  30          1HD       PRO  30   6.969   5.098  -5.037
  205    H    CYS  31           H        CYS  31   3.811   6.427  -0.997
  206    HA   CYS  31           HA       CYS  31   2.893   4.372   0.661
  207   1HB   CYS  31          2HB       CYS  31   1.522   6.855  -0.375
  208   2HB   CYS  31          1HB       CYS  31   0.781   5.779   0.799
  209    H    SER  32           H        SER  32   2.461   2.452  -0.303
  210    HA   SER  32           HA       SER  32   0.043   2.280  -1.895
  211   1HB   SER  32          2HB       SER  32   1.325   0.824  -3.598
  212   2HB   SER  32          1HB       SER  32   1.519   2.566  -3.726
  213    HG   SER  32           HG       SER  32   3.447   2.218  -2.333
  214    H    CYS  33           H        CYS  33  -0.937   0.270  -1.797
  215    HA   CYS  33           HA       CYS  33  -0.121  -1.480   0.303
  216   1HB   CYS  33          2HB       CYS  33  -2.130  -2.105  -1.874
  217   2HB   CYS  33          1HB       CYS  33  -2.011  -2.836  -0.285
  218    H    ARG  34           H        ARG  34   1.598  -2.641   0.065
  219    HA   ARG  34           HA       ARG  34   2.344  -3.690  -2.568
  220   1HB   ARG  34          2HB       ARG  34   3.970  -3.701  -0.024
  221   2HB   ARG  34          1HB       ARG  34   4.560  -3.910  -1.657
  222   1HG   ARG  34          2HG       ARG  34   3.442  -1.381  -0.509
  223   2HG   ARG  34          1HG       ARG  34   5.147  -1.744  -0.742
  224   1HD   ARG  34          2HD       ARG  34   3.030  -1.245  -2.807
  225   2HD   ARG  34          1HD       ARG  34   4.526  -0.361  -2.539
  226    HE   ARG  34           HE       ARG  34   4.203  -2.388  -4.346
  227   1HH1  ARG  34          1HH1      ARG  34   6.424  -1.766  -1.691
  228   2HH1  ARG  34          2HH1      ARG  34   7.715  -2.689  -2.385
  229   1HH2  ARG  34          1HH2      ARG  34   5.934  -3.576  -5.273
  230   2HH2  ARG  34          2HH2      ARG  34   7.440  -3.703  -4.426
  231    HA   PRO  35           HA       PRO  35   1.435  -7.886  -1.488
  232   1HB   PRO  35          2HB       PRO  35   3.829  -9.219  -1.798
  233   2HB   PRO  35          1HB       PRO  35   2.732  -8.809  -3.120
  234   1HG   PRO  35          2HG       PRO  35   5.212  -7.411  -2.207
  235   2HG   PRO  35          1HG       PRO  35   4.626  -7.698  -3.857
  236   1HD   PRO  35          2HD       PRO  35   4.375  -5.316  -2.655
  237   2HD   PRO  35          1HD       PRO  35   3.139  -5.918  -3.765
  238    H    LYS  36           H        LYS  36   1.917  -9.632   0.097
  239    HA   LYS  36           HA       LYS  36   2.733  -8.459   2.593
  240   1HB   LYS  36          2HB       LYS  36   0.806 -10.076   2.295
  241   2HB   LYS  36          1HB       LYS  36   2.003 -11.345   2.069
  242   1HG   LYS  36          2HG       LYS  36   1.133 -11.300   4.353
  243   2HG   LYS  36          1HG       LYS  36   2.866 -10.969   4.306
  244   1HD   LYS  36          2HD       LYS  36   2.490  -8.619   4.605
  245   2HD   LYS  36          1HD       LYS  36   0.746  -8.827   4.424
  246   1HE   LYS  36          2HE       LYS  36   2.415 -10.006   6.643
  247   2HE   LYS  36          1HE       LYS  36   1.444  -8.539   6.775
  248   1HZ   LYS  36          1HZ       LYS  36  -0.432 -10.130   5.950
  249   2HZ   LYS  36          2HZ       LYS  36   0.002 -10.092   7.584
  250   3HZ   LYS  36          3HZ       LYS  36   0.573 -11.332   6.586
  251    H    GLY  37           H        GLY  37   4.841  -7.996   1.848
  252   1HA   GLY  37          2HA       GLY  37   6.970  -9.042   2.927
  253   2HA   GLY  37          1HA       GLY  37   6.718 -10.242   1.658
  254    H    TRP  38           H        TRP  38   6.274  -6.759   1.711
  255    HA   TRP  38           HA       TRP  38   7.468  -6.425  -0.860
  256   1HB   TRP  38          2HB       TRP  38   7.092  -3.933  -0.238
  257   2HB   TRP  38          1HB       TRP  38   5.696  -4.969  -0.501
  258    HD1  TRP  38           HD       TRP  38   3.935  -4.969   1.355
  259    HE1  TRP  38           1HE      TRP  38   3.803  -4.121   3.778
  260    HE3  TRP  38           3HE      TRP  38   8.771  -3.515   1.951
  261    HZ2  TRP  38           2HZ      TRP  38   5.531  -2.973   5.693
  262    HZ3  TRP  38           3HZ      TRP  38   9.468  -2.543   4.105
  263    HH2  TRP  38           HH       TRP  38   7.875  -2.276   5.937