*HEADER    TOXIN                                   05-JAN-02   1KQH              
*TITLE     NMR SOLUTION STRUCTURE OF THE CIS 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 1KQH    0                                                
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assign (resid  10 and name   HN)   (resid  11 and name  HD1)   3.650    1.850    1.850  
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assign (resid  18 and name   HA)   (resid  19 and name  HB1)   3.650    1.850    1.850  
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assign (resid  22 and name  HD#)   (resid  23 and name   HA)   4.715    2.915    2.915  
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assign (resid  23 and name  HB1)   (resid  24 and name   HN)   3.060    1.260    1.260  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   2.915    1.115    1.115  
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assign (resid  25 and name   HA)   (resid  26 and name   HA)   3.500    1.700    1.500  
assign (resid  25 and name  HB2)   (resid  26 and name   HN)   3.450    1.650    1.650  
assign (resid  25 and name  HB1)   (resid  26 and name   HN)   3.015    1.215    1.515  
assign (resid  26 and name   HN)   (resid  27 and name   HN)   2.780    0.980    0.980  
assign (resid  26 and name   HN)   (resid  27 and name  HD#)   4.710    2.910    2.910  
assign (resid  26 and name   HA)   (resid  27 and name   HN)   2.350    0.550    0.550  
assign (resid  26 and name   HB)   (resid  27 and name   HN)   2.610    0.810    1.810  
assign (resid  26 and name   HB)   (resid  27 and name  HD#)   4.710    2.910    2.910  
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)   3.685    1.885    1.885  
assign (resid  26 and name HG2#)   (resid  27 and name   HA)   4.070    2.270    2.270  
assign (resid  26 and name HG2#)   (resid  27 and name  HB1)   4.165    2.365    2.365  
assign (resid  26 and name HG2#)   (resid  27 and name  HD#)   5.225    3.425    3.425  
assign (resid  26 and name HG2#)   (resid  27 and name  HE#)   5.225    3.425    3.425  
assign (resid  26 and name HG12)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  26 and name HG12)   (resid  27 and name  HD#)   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 HG1#)   (resid  27 and name   HA)   3.640    1.840    1.840  
assign (resid  26 and name HD1#)   (resid  27 and name  HB2)   4.165    2.365    2.365  
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   HA)   (resid  28 and name   HN)   2.400    0.600    0.600  
assign (resid  27 and name   HN)   (resid  28 and name   HN)   2.660    0.860    0.860  
assign (resid  27 and name  HB2)   (resid  28 and name   HN)   2.610    0.810    1.810  
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   HN)   2.675    0.875    1.875  
assign (resid  27 and name  HD#)   (resid  28 and name   HN)   4.710    2.910    2.910  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.705    0.905    1.705  
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assign (resid  28 and name  HB1)   (resid  29 and name   HN)   2.660    0.860    0.860  
assign (resid  28 and name  HD#)   (resid  29 and name   HN)   4.710    2.910    2.910  
assign (resid  29 and name   HA)   (resid  30 and name   HA)   2.130    0.330    0.330  
assign (resid  29 and name  HB2)   (resid  30 and name   HA)   2.440    0.640    1.640  
assign (resid  29 and name  HB1)   (resid  30 and name   HA)   3.110    1.310    1.310  
assign (resid  29 and name  HD#)   (resid  30 and name   HA)   4.195    2.395    2.395  
assign (resid  29 and name  HD#)   (resid  30 and name  HB#)   5.160    3.360    3.360  
assign (resid  29 and name  HD#)   (resid  30 and name  HG#)   5.160    3.360    3.360  
assign (resid  29 and name  HE#)   (resid  30 and name   HA)   4.715    2.915    2.915  
assign (resid  29 and name  HE#)   (resid  30 and name  HB#)   5.155    3.355    3.355  
assign (resid  29 and name  HE#)   (resid  30 and name  HG#)   5.155    3.355    3.355  
assign (resid  30 and name   HA)   (resid  31 and name   HN)   2.350    0.550    0.550  
assign (resid  30 and name  HB#)   (resid  31 and name   HN)   3.035    1.235    1.235  
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)   2.985    1.185    1.185  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   3.480    1.680    1.680  
assign (resid  31 and name  HB1)   (resid  32 and name   HA)   3.245    1.445    1.445  
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)   2.270    0.470    0.470  
assign (resid  34 and name   HA)   (resid  35 and name  HD1)   2.270    0.470    0.470  
assign (resid  34 and name   HA)   (resid  35 and name  HD#)   2.110    0.310    0.310  
assign (resid  34 and name  HB2)   (resid  35 and name  HD2)   3.185    1.385    1.385  
assign (resid  34 and name  HB2)   (resid  35 and name  HD1)   3.185    1.385    1.385  
assign (resid  34 and name  HB1)   (resid  35 and name  HD2)   3.185    1.385    1.385  
assign (resid  34 and name  HB1)   (resid  35 and name  HD1)   3.185    1.385    1.385  
assign (resid  34 and name  HB#)   (resid  35 and name  HD#)   2.915    1.115    1.115  
assign (resid  34 and name  HG#)   (resid  35 and name   HA)   4.090    2.290    2.290  
assign (resid  34 and name  HG#)   (resid  35 and name  HD#)   4.525    2.725    2.725  
assign (resid  34 and name  HD2)   (resid  35 and name  HD2)   3.650    1.850    1.850  
assign (resid  34 and name  HD2)   (resid  35 and name  HD1)   3.650    1.850    1.850  
assign (resid  34 and name  HD1)   (resid  35 and name  HD2)   3.650    1.850    1.850  
assign (resid  34 and name  HD1)   (resid  35 and name  HD1)   3.650    1.850    1.850  
assign (resid  35 and name   HA)   (resid  36 and name   HN)   2.425    0.625    0.625  
assign (resid  35 and name   HA)   (resid  36 and name  HB#)   4.090    2.290    2.290  
assign (resid  35 and name  HB#)   (resid  36 and name   HN)   2.970    1.170    1.170  
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)   3.345    1.545    1.545  
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  25 and name   HA)   (resid  27 and name   HN)   3.650    1.850    1.850  
assign (resid  26 and name   HN)   (resid  28 and name   HN)   2.900    1.100    1.100  
assign (resid  26 and name   HA)   (resid  28 and name   HN)   3.150    1.350    1.350  
assign (resid  29 and name   HA)   (resid  31 and name   HN)   2.765    0.965    0.965  
assign (resid  29 and name  HD#)   (resid  31 and name   HN)   4.720    2.920    2.920  
assign (resid  32 and name  HB2)   (resid  34 and name  HG2)   4.525    2.725    2.725  
assign (resid  32 and name  HB2)   (resid  34 and name  HG1)   4.525    2.725    2.725  
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  HG2)   4.525    2.725    2.725  
assign (resid  32 and name  HB1)   (resid  34 and name  HG1)   4.525    2.725    2.725  
assign (resid  32 and name  HB1)   (resid  34 and name   HE)   3.650    1.850    1.850  
assign (resid  32 and name  HB#)   (resid  34 and name  HG#)   4.060    2.260    2.260  
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  HD#)   (resid  38 and name  HD1)   4.090    2.290    2.290  
assign (resid  34 and name  HD#)   (resid  38 and name  HE3)   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  36 and name   HA)   (resid  38 and name   HN)   2.890    1.090    1.090  
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)   3.900    2.100    2.100  
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   HA)   (resid  32 and name   HA)   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  34 and name   HE)   4.165    2.365    2.365  
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)   3.355    1.555    1.555  
assign (resid   8 and name   HA)   (resid  32 and name   HA)   2.300    0.500    0.500  
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   HN)   3.045    1.245    1.245  
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  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  22 and name  HD#)   (resid  37 and name   HN)   4.950    3.150    3.150  
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)   2.335    0.535    0.535  
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  HB1)   (resid  34 and name  HB#)   3.205    1.405    1.405  
assign (resid  24 and name  HB1)   (resid  34 and name  HG2)   2.985    1.185    1.185  
assign (resid  24 and name  HB1)   (resid  34 and name  HG1)   2.985    1.185    1.185  
assign (resid  24 and name  HB1)   (resid  34 and name  HG#)   2.830    1.030    1.030  
assign (resid  24 and name  HB1)   (resid  34 and name  HD#)   3.420    1.620    1.620  
assign (resid  25 and name   HA)   (resid  31 and name   HN)   3.650    1.850    1.850  
assign (resid  25 and name   HA)   (resid  31 and name   HA)   2.455    0.655    0.655  
assign (resid  25 and name   HA)   (resid  31 and name  HB2)   3.060    1.260    1.260  
assign (resid  25 and name   HA)   (resid  32 and name   HN)   3.295    1.495    1.495  
! 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 
 !!    Ala 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 
 !!    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 -100.0   80.0  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   60.0   40.0  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 -120.0   40.0  2 
 !!    Tyr 29 
  assign (resid   28 and name C )   (resid  29 and name N ) 
         (resid   29 and name CA)   (resid  29 and name C )  1  -60.0   30.0  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 -120.0   40.0  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
 !!    Cys  25 
 assign (resid   25 and name N )   (resid  25 and name CA) 
        (resid   25 and name CB)   (resid  25 and name SG)  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 
 !!    Phe 28   
 assign (resid   28 and name N )   (resid  28 and name CA) 
        (resid   28 and name CB)   (resid  28 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 -180.0   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 -13.719  -5.418   1.279
    2   2H    LYS   1          2HT       LYS   1 -14.488  -3.963   1.673
    3    H    LYS   1           H        LYS   1 -13.642  -4.005   2.466
    4   3H    LYS   1          3HT       LYS   1 -13.054  -4.401   2.459
    5    HA   LYS   1           HA       LYS   1 -12.805  -4.298  -0.400
    6   1HB   LYS   1          2HB       LYS   1 -14.395  -2.339   0.671
    7   2HB   LYS   1          1HB       LYS   1 -12.806  -1.612   0.845
    8   1HG   LYS   1          2HG       LYS   1 -13.930  -2.651  -1.749
    9   2HG   LYS   1          1HG       LYS   1 -13.991  -0.967  -1.232
   10   1HD   LYS   1          2HD       LYS   1 -11.304  -1.907  -1.008
   11   2HD   LYS   1          1HD       LYS   1 -11.917  -2.311  -2.612
   12   1HE   LYS   1          2HE       LYS   1 -10.891  -0.139  -2.702
   13   2HE   LYS   1          1HE       LYS   1 -12.634   0.052  -2.876
   14   1HZ   LYS   1          1HZ       LYS   1 -11.274   1.565  -1.261
   15   2HZ   LYS   1          2HZ       LYS   1 -11.447   0.260  -0.193
   16   3HZ   LYS   1          3HZ       LYS   1 -12.819   1.028  -0.829
   17    H    CYS   2           H        CYS   2 -10.629  -3.820  -0.860
   18    HA   CYS   2           HA       CYS   2  -8.881  -2.799   1.156
   19   1HB   CYS   2          2HB       CYS   2  -7.441  -4.807   1.302
   20   2HB   CYS   2          1HB       CYS   2  -9.030  -5.054   2.009
   21    H    LEU   3           H        LEU   3  -6.725  -2.548   0.411
   22    HA   LEU   3           HA       LEU   3  -6.645  -1.938  -2.416
   23   1HB   LEU   3          2HB       LEU   3  -4.622  -1.497  -0.225
   24   2HB   LEU   3          1HB       LEU   3  -4.536  -0.831  -1.837
   25    HG   LEU   3           HG       LEU   3  -6.656  -0.201   0.206
   26   1HD1  LEU   3          1HD1      LEU   3  -4.910   1.916  -0.821
   27   2HD1  LEU   3          2HD1      LEU   3  -4.105   0.708   0.182
   28   3HD1  LEU   3          3HD1      LEU   3  -5.484   1.605   0.817
   29   1HD2  LEU   3          1HD2      LEU   3  -7.488   1.423  -1.354
   30   2HD2  LEU   3          2HD2      LEU   3  -7.441  -0.148  -2.154
   31   3HD2  LEU   3          3HD2      LEU   3  -6.196   1.053  -2.497
   32    H    ALA   4           H        ALA   4  -5.588  -3.081  -3.943
   33    HA   ALA   4           HA       ALA   4  -4.447  -5.621  -3.247
   34   1HB   ALA   4          1HB       ALA   4  -3.952  -5.284  -5.923
   35   2HB   ALA   4          2HB       ALA   4  -5.381  -4.284  -5.661
   36   3HB   ALA   4          3HB       ALA   4  -5.410  -5.993  -5.225
   37    H    GLU   5           H        GLU   5  -2.467  -5.996  -5.113
   38    HA   GLU   5           HA       GLU   5  -0.227  -4.894  -3.762
   39   1HB   GLU   5          2HB       GLU   5   1.082  -6.040  -5.628
   40   2HB   GLU   5          1HB       GLU   5   0.128  -7.057  -4.564
   41   1HG   GLU   5          2HG       GLU   5  -1.068  -6.135  -7.130
   42   2HG   GLU   5          1HG       GLU   5   0.133  -7.426  -7.153
   43    H    ALA   6           H        ALA   6   1.062  -3.325  -4.223
   44    HA   ALA   6           HA       ALA   6   1.926  -1.424  -5.083
   45   1HB   ALA   6          1HB       ALA   6   2.805  -2.060  -7.036
   46   2HB   ALA   6          2HB       ALA   6   1.374  -1.350  -7.783
   47   3HB   ALA   6          3HB       ALA   6   1.418  -3.077  -7.425
   48    H    ALA   7           H        ALA   7  -0.637  -1.362  -3.972
   49    HA   ALA   7           HA       ALA   7  -2.049   0.569  -5.690
   50   1HB   ALA   7          1HB       ALA   7  -2.981  -1.592  -4.138
   51   2HB   ALA   7          2HB       ALA   7  -3.924  -0.441  -5.085
   52   3HB   ALA   7          3HB       ALA   7  -3.581  -0.115  -3.385
   53    H    ASP   8           H        ASP   8  -2.359   2.638  -5.077
   54    HA   ASP   8           HA       ASP   8  -0.728   3.831  -3.135
   55   1HB   ASP   8          2HB       ASP   8  -1.768   4.963  -5.135
   56   2HB   ASP   8          1HB       ASP   8  -3.294   4.974  -4.262
   57    H    CYS   9           H        CYS   9  -1.069   4.443  -1.024
   58    HA   CYS   9           HA       CYS   9  -3.704   3.934   0.127
   59   1HB   CYS   9          2HB       CYS   9  -2.414   2.952   2.162
   60   2HB   CYS   9          1HB       CYS   9  -2.792   1.934   0.783
   61    H    SER  10           H        SER  10  -4.206   5.004   1.936
   62    HA   SER  10           HA       SER  10  -2.368   6.897   3.142
   63   1HB   SER  10          2HB       SER  10  -4.877   7.747   1.669
   64   2HB   SER  10          1HB       SER  10  -4.042   8.769   2.836
   65    HG   SER  10           HG       SER  10  -2.841   7.668   0.503
   66    HA   PRO  11           HA       PRO  11  -4.327   5.700   6.867
   67   1HB   PRO  11          2HB       PRO  11  -4.567   8.273   7.988
   68   2HB   PRO  11          1HB       PRO  11  -3.210   7.161   8.179
   69   1HG   PRO  11          2HG       PRO  11  -3.531   9.456   6.306
   70   2HG   PRO  11          1HG       PRO  11  -2.075   8.866   7.120
   71   1HD   PRO  11          2HD       PRO  11  -2.469   8.399   4.535
   72   2HD   PRO  11          1HD       PRO  11  -1.752   7.157   5.585
   73    H    TRP  12           H        TRP  12  -5.725   8.703   5.514
   74    HA   TRP  12           HA       TRP  12  -8.360   7.722   6.375
   75   1HB   TRP  12          2HB       TRP  12  -7.532  10.550   5.681
   76   2HB   TRP  12          1HB       TRP  12  -9.133  10.052   6.215
   77    HD1  TRP  12           HD       TRP  12  -9.364   9.282   8.813
   78    HE1  TRP  12           1HE      TRP  12  -7.986   9.943  10.882
   79    HE3  TRP  12           3HE      TRP  12  -5.233  11.173   6.468
   80    HZ2  TRP  12           2HZ      TRP  12  -5.482  11.118  11.447
   81    HZ3  TRP  12           3HZ      TRP  12  -3.394  12.052   7.847
   82    HH2  TRP  12           HH       TRP  12  -3.518  12.024  10.285
   83    H    SER  13           H        SER  13  -6.777   9.460   3.718
   84    HA   SER  13           HA       SER  13  -8.967   8.998   1.919
   85   1HB   SER  13          2HB       SER  13  -6.199   9.998   1.236
   86   2HB   SER  13          1HB       SER  13  -7.694  10.269   0.341
   87    HG   SER  13           HG       SER  13  -7.750  12.040   1.482
   88    H    GLY  14           H        GLY  14  -8.508   6.518   2.581
   89   1HA   GLY  14          2HA       GLY  14  -7.532   5.311   0.171
   90   2HA   GLY  14          1HA       GLY  14  -6.441   5.056   1.521
   91    H    ASP  15           H        ASP  15  -6.670   2.994   1.976
   92    HA   ASP  15           HA       ASP  15  -9.012   2.029   3.278
   93   1HB   ASP  15          2HB       ASP  15  -9.523   1.821   0.737
   94   2HB   ASP  15          1HB       ASP  15  -8.300   0.565   0.732
   95    H    SER  16           H        SER  16  -8.654  -0.417   3.741
   96    HA   SER  16           HA       SER  16  -5.918  -0.694   4.642
   97   1HB   SER  16          2HB       SER  16  -8.078  -2.781   4.813
   98   2HB   SER  16          1HB       SER  16  -6.651  -2.624   5.825
   99    HG   SER  16           HG       SER  16  -8.610  -0.594   5.725
  100    H    CYS  17           H        CYS  17  -4.420  -2.093   3.816
  101    HA   CYS  17           HA       CYS  17  -4.771  -2.899   1.093
  102   1HB   CYS  17          2HB       CYS  17  -2.510  -3.742   2.911
  103   2HB   CYS  17          1HB       CYS  17  -2.491  -3.587   1.159
  104    H    CYS  18           H        CYS  18  -5.048  -4.948   0.268
  105    HA   CYS  18           HA       CYS  18  -6.333  -6.929   1.823
  106   1HB   CYS  18          2HB       CYS  18  -4.919  -7.319  -0.835
  107   2HB   CYS  18          1HB       CYS  18  -6.173  -8.344  -0.154
  108    H    LYS  19           H        LYS  19  -5.508  -8.926   2.566
  109    HA   LYS  19           HA       LYS  19  -2.702  -8.752   3.228
  110   1HB   LYS  19          2HB       LYS  19  -4.672 -10.885   4.018
  111   2HB   LYS  19          1HB       LYS  19  -3.103 -10.587   4.721
  112   1HG   LYS  19          2HG       LYS  19  -5.432  -8.692   4.831
  113   2HG   LYS  19          1HG       LYS  19  -4.890  -9.741   6.145
  114   1HD   LYS  19          2HD       LYS  19  -2.785  -8.582   6.273
  115   2HD   LYS  19          1HD       LYS  19  -3.175  -7.629   4.841
  116   1HE   LYS  19          2HE       LYS  19  -4.691  -7.548   7.447
  117   2HE   LYS  19          1HE       LYS  19  -3.471  -6.376   6.951
  118   1HZ   LYS  19          1HZ       LYS  19  -6.109  -6.879   5.699
  119   2HZ   LYS  19          2HZ       LYS  19  -4.904  -5.955   4.950
  120   3HZ   LYS  19          3HZ       LYS  19  -5.564  -5.454   6.428
  121    HA   PRO  20           HA       PRO  20  -1.333  -9.979   3.946
  122   1HB   PRO  20          2HB       PRO  20   1.104 -11.027   3.596
  123   2HB   PRO  20          1HB       PRO  20  -0.278 -12.037   4.034
  124   1HG   PRO  20          2HG       PRO  20   1.124 -11.784   1.436
  125   2HG   PRO  20          1HG       PRO  20   0.242 -13.163   2.109
  126   1HD   PRO  20          2HD       PRO  20  -0.703 -11.223   0.226
  127   2HD   PRO  20          1HD       PRO  20  -1.609 -12.567   0.949
  128    H    TYR  21           H        TYR  21  -1.522  -8.375   1.390
  129    HA   TYR  21           HA       TYR  21   1.087  -7.236   0.971
  130   1HB   TYR  21          2HB       TYR  21  -1.525  -5.938   0.159
  131   2HB   TYR  21          1HB       TYR  21   0.065  -5.744  -0.564
  132    HD1  TYR  21           1HD      TYR  21   0.931  -7.351  -2.131
  133    HD2  TYR  21           2HD      TYR  21  -2.873  -7.943  -0.333
  134    HE1  TYR  21           1HE      TYR  21   0.421  -9.079  -3.798
  135    HE2  TYR  21           2HE      TYR  21  -3.395  -9.680  -1.995
  136    HH   TYR  21           HH       TYR  21  -1.818 -10.049  -4.820
  137    H    LEU  22           H        LEU  22   1.841  -5.239   1.659
  138    HA   LEU  22           HA       LEU  22   0.297  -3.989   3.833
  139   1HB   LEU  22          2HB       LEU  22   2.045  -5.386   4.773
  140   2HB   LEU  22          1HB       LEU  22   3.248  -4.601   3.771
  141    HG   LEU  22           HG       LEU  22   2.791  -2.468   4.991
  142   1HD1  LEU  22          1HD1      LEU  22   1.657  -2.812   7.254
  143   2HD1  LEU  22          2HD1      LEU  22   0.970  -4.275   6.546
  144   3HD1  LEU  22          3HD1      LEU  22   0.622  -2.702   5.830
  145   1HD2  LEU  22          1HD2      LEU  22   3.550  -3.880   7.292
  146   2HD2  LEU  22          2HD2      LEU  22   4.601  -3.122   6.097
  147   3HD2  LEU  22          3HD2      LEU  22   4.148  -4.817   5.923
  148    H    CYS  23           H        CYS  23   0.335  -1.806   3.979
  149    HA   CYS  23           HA       CYS  23   1.021  -0.279   1.686
  150   1HB   CYS  23          2HB       CYS  23  -0.859   0.303   3.175
  151   2HB   CYS  23          1HB       CYS  23   0.276   0.631   4.478
  152    H    SER  24           H        SER  24   2.965   0.529   1.162
  153    HA   SER  24           HA       SER  24   4.984   0.636   3.277
  154   1HB   SER  24          2HB       SER  24   6.644   0.707   1.432
  155   2HB   SER  24          1HB       SER  24   5.626  -0.729   1.378
  156    HG   SER  24           HG       SER  24   4.331   0.453  -0.195
  157    H    CYS  25           H        CYS  25   5.625   2.455   4.074
  158    HA   CYS  25           HA       CYS  25   5.195   4.962   2.588
  159   1HB   CYS  25          2HB       CYS  25   4.932   4.370   5.540
  160   2HB   CYS  25          1HB       CYS  25   5.156   6.006   4.938
  161    H    ILE  26           H        ILE  26   7.390   4.109   1.810
  162    HA   ILE  26           HA       ILE  26   9.622   4.141   3.558
  163    HB   ILE  26           HB       ILE  26  10.961   4.221   1.413
  164   1HG1  ILE  26          2HG1      ILE  26   8.211   3.943   0.173
  165   2HG1  ILE  26          1HG1      ILE  26   9.229   5.374   0.055
  166   1HG2  ILE  26          1HG2      ILE  26   8.886   2.083   1.840
  167   2HG2  ILE  26          2HG2      ILE  26  10.512   2.148   2.518
  168   3HG2  ILE  26          3HG2      ILE  26  10.288   1.913   0.784
  169   1HD1  ILE  26          1HD1      ILE  26  10.569   4.453  -1.505
  170   2HD1  ILE  26          2HD1      ILE  26   9.133   3.480  -1.819
  171   3HD1  ILE  26          3HD1      ILE  26  10.436   2.831  -0.824
  172    H    PHE  27           H        PHE  27   8.362   6.503   4.084
  173    HA   PHE  27           HA       PHE  27   8.709   8.715   4.402
  174   1HB   PHE  27          2HB       PHE  27  11.490   7.828   3.671
  175   2HB   PHE  27          1HB       PHE  27  11.134   9.499   4.082
  176    HD1  PHE  27           1HD      PHE  27  11.828  10.034   6.189
  177    HD2  PHE  27           2HD      PHE  27  10.158   6.179   5.508
  178    HE1  PHE  27           1HE      PHE  27  12.089   9.503   8.576
  179    HE2  PHE  27           2HE      PHE  27  10.413   5.644   7.896
  180    HZ   PHE  27           HZ       PHE  27  11.379   7.307   9.433
  181    H    PHE  28           H        PHE  28   8.020   7.672   1.659
  182    HA   PHE  28           HA       PHE  28   8.495  10.199   0.264
  183   1HB   PHE  28          2HB       PHE  28   8.994   7.444  -0.816
  184   2HB   PHE  28          1HB       PHE  28   8.535   8.747  -1.896
  185    HD1  PHE  28           1HD      PHE  28  11.051   7.933   0.741
  186    HD2  PHE  28           2HD      PHE  28  10.165  10.058  -2.837
  187    HE1  PHE  28           1HE      PHE  28  13.397   8.655   0.593
  188    HE2  PHE  28           2HE      PHE  28  12.511  10.782  -2.992
  189    HZ   PHE  28           HZ       PHE  28  14.131  10.081  -1.275
  190    H    TYR  29           H        TYR  29   6.815  10.951  -0.849
  191    HA   TYR  29           HA       TYR  29   4.252   9.632  -0.453
  192   1HB   TYR  29          2HB       TYR  29   4.539  12.053   0.090
  193   2HB   TYR  29          1HB       TYR  29   4.881  12.365  -1.607
  194    HD1  TYR  29           1HD      TYR  29   2.235  10.771   0.508
  195    HD2  TYR  29           2HD      TYR  29   3.145  13.106  -2.931
  196    HE1  TYR  29           1HE      TYR  29  -0.168  11.067   0.079
  197    HE2  TYR  29           2HE      TYR  29   0.746  13.408  -3.368
  198    HH   TYR  29           HH       TYR  29  -1.611  11.562  -2.050
  199    HA   PRO  30           HA       PRO  30   2.578   9.174  -1.053
  200   1HB   PRO  30          2HB       PRO  30   0.774   7.714  -2.398
  201   2HB   PRO  30          1HB       PRO  30   0.926   9.456  -2.638
  202   1HG   PRO  30          2HG       PRO  30   1.658   7.258  -4.442
  203   2HG   PRO  30          1HG       PRO  30   1.386   8.968  -4.811
  204   1HD   PRO  30          2HD       PRO  30   3.900   7.569  -4.366
  205   2HD   PRO  30          1HD       PRO  30   3.633   9.226  -4.948
  206    H    CYS  31           H        CYS  31   1.632   7.254   0.026
  207    HA   CYS  31           HA       CYS  31   3.541   5.093   0.157
  208   1HB   CYS  31          2HB       CYS  31   0.923   5.507   1.617
  209   2HB   CYS  31          1HB       CYS  31   2.076   4.229   1.961
  210    H    SER  32           H        SER  32   2.996   2.851  -0.254
  211    HA   SER  32           HA       SER  32   0.476   2.366  -1.615
  212   1HB   SER  32          2HB       SER  32   1.852   1.278  -3.547
  213   2HB   SER  32          1HB       SER  32   1.598   3.024  -3.540
  214    HG   SER  32           HG       SER  32   3.674   3.214  -2.536
  215    H    CYS  33           H        CYS  33  -0.269   0.347  -1.346
  216    HA   CYS  33           HA       CYS  33   1.064  -1.441   0.410
  217   1HB   CYS  33          2HB       CYS  33  -1.205  -2.243  -1.410
  218   2HB   CYS  33          1HB       CYS  33  -0.809  -2.864   0.183
  219    H    ARG  34           H        ARG  34   2.429  -3.016  -0.028
  220    HA   ARG  34           HA       ARG  34   2.871  -3.744  -2.851
  221   1HB   ARG  34          2HB       ARG  34   4.897  -3.623  -0.609
  222   2HB   ARG  34          1HB       ARG  34   5.231  -4.110  -2.261
  223   1HG   ARG  34          2HG       ARG  34   4.185  -1.391  -1.526
  224   2HG   ARG  34          1HG       ARG  34   5.904  -1.772  -1.666
  225   1HD   ARG  34          2HD       ARG  34   5.737  -2.208  -3.958
  226   2HD   ARG  34          1HD       ARG  34   3.981  -2.360  -3.891
  227    HE   ARG  34           HE       ARG  34   4.576   0.231  -3.115
  228   1HH1  ARG  34          1HH1      ARG  34   5.050  -1.744  -5.964
  229   2HH1  ARG  34          2HH1      ARG  34   4.899  -0.420  -7.068
  230   1HH2  ARG  34          1HH2      ARG  34   4.355   1.979  -4.553
  231   2HH2  ARG  34          2HH2      ARG  34   4.508   1.711  -6.263
  232    HA   PRO  35           HA       PRO  35   2.129  -7.958  -1.813
  233   1HB   PRO  35          2HB       PRO  35   4.170  -9.213  -3.172
  234   2HB   PRO  35          1HB       PRO  35   2.671  -8.657  -3.922
  235   1HG   PRO  35          2HG       PRO  35   5.365  -7.377  -3.885
  236   2HG   PRO  35          1HG       PRO  35   4.168  -7.442  -5.191
  237   1HD   PRO  35          2HD       PRO  35   4.546  -5.241  -3.667
  238   2HD   PRO  35          1HD       PRO  35   2.963  -5.669  -4.336
  239    H    LYS  36           H        LYS  36   2.855  -9.564  -0.349
  240    HA   LYS  36           HA       LYS  36   4.930  -8.621   1.370
  241   1HB   LYS  36          2HB       LYS  36   2.813  -9.740   2.189
  242   2HB   LYS  36          1HB       LYS  36   3.510 -11.264   1.642
  243   1HG   LYS  36          2HG       LYS  36   3.834 -10.740   4.082
  244   2HG   LYS  36          1HG       LYS  36   5.311 -11.101   3.183
  245   1HD   LYS  36          2HD       LYS  36   5.500  -8.558   2.857
  246   2HD   LYS  36          1HD       LYS  36   4.300  -8.437   4.143
  247   1HE   LYS  36          2HE       LYS  36   5.747  -9.476   5.710
  248   2HE   LYS  36          1HE       LYS  36   6.869  -9.975   4.446
  249   1HZ   LYS  36          1HZ       LYS  36   7.685  -7.833   4.193
  250   2HZ   LYS  36          2HZ       LYS  36   7.446  -7.934   5.869
  251   3HZ   LYS  36          3HZ       LYS  36   6.324  -7.113   4.908
  252    H    GLY  37           H        GLY  37   6.808  -9.545   1.834
  253   1HA   GLY  37          2HA       GLY  37   8.186 -11.708   1.359
  254   2HA   GLY  37          1HA       GLY  37   8.026 -11.117  -0.300
  255    H    TRP  38           H        TRP  38   7.934  -8.390   0.449
  256    HA   TRP  38           HA       TRP  38  10.763  -7.843   0.752
  257   1HB   TRP  38          2HB       TRP  38   8.377  -6.064   0.165
  258   2HB   TRP  38          1HB       TRP  38  10.019  -5.460   0.340
  259    HD1  TRP  38           HD       TRP  38  11.334  -5.244  -1.828
  260    HE1  TRP  38           1HE      TRP  38  11.134  -6.164  -4.220
  261    HE3  TRP  38           3HE      TRP  38   7.365  -8.406  -1.166
  262    HZ2  TRP  38           2HZ      TRP  38   9.510  -7.975  -5.644
  263    HZ3  TRP  38           3HZ      TRP  38   6.549  -9.688  -3.098
  264    HH2  TRP  38           HH       TRP  38   7.598  -9.475  -5.291
  Start of MODEL    2
    1   1H    LYS   1          1HT       LYS   1 -13.550  -5.808  -0.263
    2   2H    LYS   1          2HT       LYS   1 -14.521  -4.436  -0.085
    3    H    LYS   1           H        LYS   1 -13.503  -4.630   0.986
    4   3H    LYS   1          3HT       LYS   1 -13.232  -4.704   0.979
    5    HA   LYS   1           HA       LYS   1 -12.451  -4.648  -1.776
    6   1HB   LYS   1          2HB       LYS   1 -12.657  -2.179  -1.948
    7   2HB   LYS   1          1HB       LYS   1 -14.217  -2.984  -1.897
    8   1HG   LYS   1          2HG       LYS   1 -14.381  -2.420   0.509
    9   2HG   LYS   1          1HG       LYS   1 -12.872  -1.516   0.361
   10   1HD   LYS   1          2HD       LYS   1 -13.943  -0.115  -1.387
   11   2HD   LYS   1          1HD       LYS   1 -15.459  -0.967  -1.093
   12   1HE   LYS   1          2HE       LYS   1 -15.485   1.112   0.116
   13   2HE   LYS   1          1HE       LYS   1 -15.368  -0.217   1.268
   14   1HZ   LYS   1          1HZ       LYS   1 -12.949   1.181   0.294
   15   2HZ   LYS   1          2HZ       LYS   1 -13.142   0.256   1.697
   16   3HZ   LYS   1          3HZ       LYS   1 -13.849   1.790   1.596
   17    H    CYS   2           H        CYS   2 -10.317  -4.022  -1.887
   18    HA   CYS   2           HA       CYS   2  -8.965  -2.755   0.306
   19   1HB   CYS   2          2HB       CYS   2  -7.427  -4.685   0.721
   20   2HB   CYS   2          1HB       CYS   2  -9.073  -4.952   1.280
   21    H    LEU   3           H        LEU   3  -6.707  -2.435  -0.160
   22    HA   LEU   3           HA       LEU   3  -6.303  -1.865  -2.946
   23   1HB   LEU   3          2HB       LEU   3  -4.469  -1.517  -0.576
   24   2HB   LEU   3          1HB       LEU   3  -4.234  -0.820  -2.162
   25    HG   LEU   3           HG       LEU   3  -6.520  -0.182  -0.306
   26   1HD1  LEU   3          1HD1      LEU   3  -5.368   1.564   0.491
   27   2HD1  LEU   3          2HD1      LEU   3  -4.614   1.909  -1.066
   28   3HD1  LEU   3          3HD1      LEU   3  -3.956   0.643  -0.028
   29   1HD2  LEU   3          1HD2      LEU   3  -7.188   0.030  -2.623
   30   2HD2  LEU   3          2HD2      LEU   3  -5.747   0.982  -2.979
   31   3HD2  LEU   3          3HD2      LEU   3  -6.991   1.631  -1.910
   32    H    ALA   4           H        ALA   4  -5.275  -3.105  -4.376
   33    HA   ALA   4           HA       ALA   4  -4.182  -5.637  -3.579
   34   1HB   ALA   4          1HB       ALA   4  -4.506  -6.259  -5.710
   35   2HB   ALA   4          2HB       ALA   4  -3.808  -4.776  -6.360
   36   3HB   ALA   4          3HB       ALA   4  -5.476  -4.789  -5.790
   37    H    GLU   5           H        GLU   5  -2.232  -5.953  -5.559
   38    HA   GLU   5           HA       GLU   5   0.067  -5.144  -4.166
   39   1HB   GLU   5          2HB       GLU   5   1.287  -6.035  -6.192
   40   2HB   GLU   5          1HB       GLU   5   0.219  -7.161  -5.375
   41   1HG   GLU   5          2HG       GLU   5  -0.716  -5.616  -7.762
   42   2HG   GLU   5          1HG       GLU   5   0.236  -7.087  -7.945
   43    H    ALA   6           H        ALA   6   1.256  -3.444  -4.244
   44    HA   ALA   6           HA       ALA   6   2.143  -1.435  -4.779
   45   1HB   ALA   6          1HB       ALA   6   2.705  -0.967  -7.053
   46   2HB   ALA   6          2HB       ALA   6   1.470  -2.079  -7.644
   47   3HB   ALA   6          3HB       ALA   6   2.888  -2.703  -6.800
   48    H    ALA   7           H        ALA   7  -0.475  -1.431  -3.905
   49    HA   ALA   7           HA       ALA   7  -1.746   0.624  -5.596
   50   1HB   ALA   7          1HB       ALA   7  -3.502  -0.220  -3.530
   51   2HB   ALA   7          2HB       ALA   7  -2.805  -1.654  -4.286
   52   3HB   ALA   7          3HB       ALA   7  -3.650  -0.460  -5.272
   53    H    ASP   8           H        ASP   8  -1.589   2.651  -4.947
   54    HA   ASP   8           HA       ASP   8  -0.341   3.457  -2.595
   55   1HB   ASP   8          2HB       ASP   8  -2.196   5.014  -4.402
   56   2HB   ASP   8          1HB       ASP   8  -1.183   5.730  -3.150
   57    H    CYS   9           H        CYS   9  -0.953   3.666  -0.596
   58    HA   CYS   9           HA       CYS   9  -3.756   3.288   0.115
   59   1HB   CYS   9          2HB       CYS   9  -2.120   3.536   2.427
   60   2HB   CYS   9          1HB       CYS   9  -2.897   2.087   1.795
   61    H    SER  10           H        SER  10  -4.948   4.770   1.237
   62    HA   SER  10           HA       SER  10  -4.081   7.507   1.053
   63   1HB   SER  10          2HB       SER  10  -6.595   6.454   2.355
   64   2HB   SER  10          1HB       SER  10  -6.320   8.059   1.672
   65    HG   SER  10           HG       SER  10  -5.829   6.511  -0.305
   66    HA   PRO  11           HA       PRO  11  -2.237   7.560   5.092
   67   1HB   PRO  11          2HB       PRO  11  -1.924  10.252   5.296
   68   2HB   PRO  11          1HB       PRO  11  -0.893   9.227   4.291
   69   1HG   PRO  11          2HG       PRO  11  -3.258  10.886   3.493
   70   2HG   PRO  11          1HG       PRO  11  -1.681  10.746   2.703
   71   1HD   PRO  11          2HD       PRO  11  -3.825   9.413   1.802
   72   2HD   PRO  11          1HD       PRO  11  -2.197   8.702   1.745
   73    H    TRP  12           H        TRP  12  -4.674  10.138   4.560
   74    HA   TRP  12           HA       TRP  12  -5.304  10.194   7.358
   75   1HB   TRP  12          2HB       TRP  12  -6.679  11.556   5.035
   76   2HB   TRP  12          1HB       TRP  12  -6.986  11.883   6.738
   77    HD1  TRP  12           HD       TRP  12  -4.875  12.997   8.131
   78    HE1  TRP  12           1HE      TRP  12  -3.068  14.636   7.311
   79    HE3  TRP  12           3HE      TRP  12  -5.329  12.254   3.093
   80    HZ2  TRP  12           2HZ      TRP  12  -1.985  15.506   4.854
   81    HZ3  TRP  12           3HZ      TRP  12  -3.875  13.535   1.577
   82    HH2  TRP  12           HH       TRP  12  -2.238  15.127   2.440
   83    H    SER  13           H        SER  13  -7.114   9.260   4.436
   84    HA   SER  13           HA       SER  13  -8.483   7.185   5.888
   85   1HB   SER  13          2HB       SER  13 -10.065   9.551   4.840
   86   2HB   SER  13          1HB       SER  13 -10.766   8.048   5.438
   87    HG   SER  13           HG       SER  13  -9.048   9.028   7.256
   88    H    GLY  14           H        GLY  14  -9.044   5.570   4.543
   89   1HA   GLY  14          2HA       GLY  14  -9.905   5.865   1.883
   90   2HA   GLY  14          1HA       GLY  14  -8.178   5.531   1.883
   91    H    ASP  15           H        ASP  15  -8.354   3.488   0.963
   92    HA   ASP  15           HA       ASP  15  -9.935   1.508   2.426
   93   1HB   ASP  15          2HB       ASP  15  -9.236   1.829  -0.345
   94   2HB   ASP  15          1HB       ASP  15  -8.713   0.251   0.230
   95    H    SER  16           H        SER  16  -9.019  -0.567   2.881
   96    HA   SER  16           HA       SER  16  -6.298  -0.304   3.876
   97   1HB   SER  16          2HB       SER  16  -8.236  -2.565   4.352
   98   2HB   SER  16          1HB       SER  16  -6.777  -2.200   5.271
   99    HG   SER  16           HG       SER  16  -8.413  -0.056   5.185
  100    H    CYS  17           H        CYS  17  -4.674  -1.830   3.446
  101    HA   CYS  17           HA       CYS  17  -4.603  -2.777   0.767
  102   1HB   CYS  17          2HB       CYS  17  -2.755  -3.588   3.024
  103   2HB   CYS  17          1HB       CYS  17  -2.411  -3.622   1.300
  104    H    CYS  18           H        CYS  18  -4.751  -4.873  -0.026
  105    HA   CYS  18           HA       CYS  18  -6.363  -6.741   1.396
  106   1HB   CYS  18          2HB       CYS  18  -4.630  -7.195  -1.056
  107   2HB   CYS  18          1HB       CYS  18  -5.900  -8.267  -0.484
  108    H    LYS  19           H        LYS  19  -5.748  -8.690   2.348
  109    HA   LYS  19           HA       LYS  19  -3.111  -8.625   3.478
  110   1HB   LYS  19          2HB       LYS  19  -3.883 -10.664   4.689
  111   2HB   LYS  19          1HB       LYS  19  -4.884  -9.255   4.941
  112   1HG   LYS  19          2HG       LYS  19  -6.482 -10.860   4.656
  113   2HG   LYS  19          1HG       LYS  19  -6.297 -10.307   2.992
  114   1HD   LYS  19          2HD       LYS  19  -4.746 -12.172   2.566
  115   2HD   LYS  19          1HD       LYS  19  -4.984 -12.733   4.222
  116   1HE   LYS  19          2HE       LYS  19  -7.151 -12.473   2.139
  117   2HE   LYS  19          1HE       LYS  19  -6.348 -13.976   2.585
  118   1HZ   LYS  19          1HZ       LYS  19  -8.344 -13.924   3.791
  119   2HZ   LYS  19          2HZ       LYS  19  -8.140 -12.308   4.249
  120   3HZ   LYS  19          3HZ       LYS  19  -7.148 -13.506   4.913
  121    HA   PRO  20           HA       PRO  20  -1.664  -9.552   4.208
  122   1HB   PRO  20          2HB       PRO  20   0.742 -10.717   4.217
  123   2HB   PRO  20          1HB       PRO  20  -0.720 -11.637   4.588
  124   1HG   PRO  20          2HG       PRO  20   1.001 -11.753   2.204
  125   2HG   PRO  20          1HG       PRO  20  -0.157 -12.947   2.811
  126   1HD   PRO  20          2HD       PRO  20  -0.527 -10.918   0.746
  127   2HD   PRO  20          1HD       PRO  20  -1.597 -12.264   1.192
  128    H    TYR  21           H        TYR  21  -1.608  -8.034   1.699
  129    HA   TYR  21           HA       TYR  21   1.072  -7.158   1.196
  130   1HB   TYR  21          2HB       TYR  21  -1.499  -5.693   0.516
  131   2HB   TYR  21          1HB       TYR  21   0.092  -5.388  -0.154
  132    HD1  TYR  21           1HD      TYR  21  -2.212  -8.341   0.198
  133    HD2  TYR  21           2HD      TYR  21   0.442  -6.127  -2.274
  134    HE1  TYR  21           1HE      TYR  21  -2.666  -9.885  -1.660
  135    HE2  TYR  21           2HE      TYR  21  -0.004  -7.663  -4.134
  136    HH   TYR  21           HH       TYR  21  -1.844  -9.194  -4.849
  137    H    LEU  22           H        LEU  22   2.086  -5.321   1.876
  138    HA   LEU  22           HA       LEU  22   0.871  -4.012   4.217
  139   1HB   LEU  22          2HB       LEU  22   2.736  -5.434   4.830
  140   2HB   LEU  22          1HB       LEU  22   3.760  -4.652   3.641
  141    HG   LEU  22           HG       LEU  22   3.562  -2.531   4.941
  142   1HD1  LEU  22          1HD1      LEU  22   2.722  -3.828   7.397
  143   2HD1  LEU  22          2HD1      LEU  22   1.450  -3.805   6.176
  144   3HD1  LEU  22          3HD1      LEU  22   2.206  -2.296   6.691
  145   1HD2  LEU  22          1HD2      LEU  22   4.947  -4.963   5.710
  146   2HD2  LEU  22          2HD2      LEU  22   4.711  -3.863   7.067
  147   3HD2  LEU  22          3HD2      LEU  22   5.540  -3.305   5.614
  148    H    CYS  23           H        CYS  23   0.759  -1.853   4.253
  149    HA   CYS  23           HA       CYS  23   1.316  -0.355   1.890
  150   1HB   CYS  23          2HB       CYS  23  -0.577   0.166   3.403
  151   2HB   CYS  23          1HB       CYS  23   0.567   0.613   4.663
  152    H    SER  24           H        SER  24   3.216   0.522   1.335
  153    HA   SER  24           HA       SER  24   5.267   0.730   3.414
  154   1HB   SER  24          2HB       SER  24   6.876   0.841   1.500
  155   2HB   SER  24          1HB       SER  24   5.944  -0.653   1.566
  156    HG   SER  24           HG       SER  24   4.475   0.561   0.039
  157    H    CYS  25           H        CYS  25   5.943   2.588   4.134
  158    HA   CYS  25           HA       CYS  25   5.306   5.045   2.644
  159   1HB   CYS  25          2HB       CYS  25   5.535   4.573   5.626
  160   2HB   CYS  25          1HB       CYS  25   5.452   6.174   4.902
  161    H    ILE  26           H        ILE  26   7.399   4.209   1.606
  162    HA   ILE  26           HA       ILE  26   9.848   4.410   3.025
  163    HB   ILE  26           HB       ILE  26  10.877   4.421   0.714
  164   1HG1  ILE  26          2HG1      ILE  26   7.995   3.986  -0.117
  165   2HG1  ILE  26          1HG1      ILE  26   8.935   5.438  -0.450
  166   1HG2  ILE  26          1HG2      ILE  26  10.494   2.094   0.410
  167   2HG2  ILE  26          2HG2      ILE  26   8.937   2.180   1.235
  168   3HG2  ILE  26          3HG2      ILE  26  10.430   2.417   2.143
  169   1HD1  ILE  26          1HD1      ILE  26   9.845   2.744  -1.387
  170   2HD1  ILE  26          2HD1      ILE  26  10.300   4.340  -1.984
  171   3HD1  ILE  26          3HD1      ILE  26   8.686   3.704  -2.307
  172    H    PHE  27           H        PHE  27   8.574   6.744   3.611
  173    HA   PHE  27           HA       PHE  27   8.871   8.977   3.786
  174   1HB   PHE  27          2HB       PHE  27  11.543   8.158   2.680
  175   2HB   PHE  27          1HB       PHE  27  11.179   9.840   3.034
  176    HD1  PHE  27           1HD      PHE  27  10.546   6.607   4.811
  177    HD2  PHE  27           2HD      PHE  27  12.188  10.531   4.961
  178    HE1  PHE  27           1HE      PHE  27  11.172   6.251   7.163
  179    HE2  PHE  27           2HE      PHE  27  12.817  10.181   7.313
  180    HZ   PHE  27           HZ       PHE  27  12.310   8.039   8.417
  181    H    PHE  28           H        PHE  28   7.816   7.784   1.219
  182    HA   PHE  28           HA       PHE  28   8.031  10.252  -0.358
  183   1HB   PHE  28          2HB       PHE  28   8.177   7.422  -1.335
  184   2HB   PHE  28          1HB       PHE  28   7.555   8.683  -2.379
  185    HD1  PHE  28           1HD      PHE  28  10.502   8.249  -0.104
  186    HD2  PHE  28           2HD      PHE  28   9.037   9.482  -3.902
  187    HE1  PHE  28           1HE      PHE  28  12.790   8.829  -0.793
  188    HE2  PHE  28           2HE      PHE  28  11.322  10.064  -4.599
  189    HZ   PHE  28           HZ       PHE  28  13.204   9.738  -3.043
  190    H    TYR  29           H        TYR  29   6.172  11.076  -1.018
  191    HA   TYR  29           HA       TYR  29   3.723   9.807  -0.090
  192   1HB   TYR  29          2HB       TYR  29   4.243  12.236   0.388
  193   2HB   TYR  29          1HB       TYR  29   4.044  12.547  -1.333
  194    HD1  TYR  29           1HD      TYR  29   2.157  10.758   1.362
  195    HD2  TYR  29           2HD      TYR  29   2.010  13.448  -1.931
  196    HE1  TYR  29           1HE      TYR  29  -0.263  11.023   1.696
  197    HE2  TYR  29           2HE      TYR  29  -0.412  13.723  -1.604
  198    HH   TYR  29           HH       TYR  29  -2.112  13.403  -0.066
  199    HA   PRO  30           HA       PRO  30   2.053   9.229  -0.276
  200   1HB   PRO  30          2HB       PRO  30   0.075   7.658  -1.164
  201   2HB   PRO  30          1HB       PRO  30   0.033   9.409  -1.388
  202   1HG   PRO  30          2HG       PRO  30   0.466   7.280  -3.374
  203   2HG   PRO  30          1HG       PRO  30  -0.062   8.952  -3.617
  204   1HD   PRO  30          2HD       PRO  30   2.596   7.830  -3.907
  205   2HD   PRO  30          1HD       PRO  30   2.037   9.470  -4.292
  206    H    CYS  31           H        CYS  31   1.312   7.077   0.745
  207    HA   CYS  31           HA       CYS  31   3.468   5.173   0.500
  208   1HB   CYS  31          2HB       CYS  31   0.975   5.070   2.218
  209   2HB   CYS  31          1HB       CYS  31   2.393   4.044   2.388
  210    H    SER  32           H        SER  32   3.146   2.937  -0.134
  211    HA   SER  32           HA       SER  32   0.563   2.399  -1.410
  212   1HB   SER  32          2HB       SER  32   2.092   1.330  -3.300
  213   2HB   SER  32          1HB       SER  32   1.627   3.031  -3.338
  214    HG   SER  32           HG       SER  32   3.608   3.620  -2.719
  215    H    CYS  33           H        CYS  33  -0.164   0.374  -1.252
  216    HA   CYS  33           HA       CYS  33   1.062  -1.453   0.528
  217   1HB   CYS  33          2HB       CYS  33  -1.089  -2.190  -1.454
  218   2HB   CYS  33          1HB       CYS  33  -0.791  -2.874   0.130
  219    H    ARG  34           H        ARG  34   2.508  -2.947   0.158
  220    HA   ARG  34           HA       ARG  34   3.162  -3.661  -2.623
  221   1HB   ARG  34          2HB       ARG  34   4.906  -3.691  -0.147
  222   2HB   ARG  34          1HB       ARG  34   5.421  -4.186  -1.755
  223   1HG   ARG  34          2HG       ARG  34   4.442  -1.423  -1.084
  224   2HG   ARG  34          1HG       ARG  34   6.142  -1.902  -1.088
  225   1HD   ARG  34          2HD       ARG  34   6.208  -2.154  -3.369
  226   2HD   ARG  34          1HD       ARG  34   4.474  -2.455  -3.492
  227    HE   ARG  34           HE       ARG  34   4.820   0.170  -2.602
  228   1HH1  ARG  34          1HH1      ARG  34   5.538  -1.714  -5.464
  229   2HH1  ARG  34          2HH1      ARG  34   5.319  -0.385  -6.553
  230   1HH2  ARG  34          1HH2      ARG  34   4.506   1.926  -4.027
  231   2HH2  ARG  34          2HH2      ARG  34   4.731   1.692  -5.735
  232    HA   PRO  35           HA       PRO  35   1.921  -7.829  -1.788
  233   1HB   PRO  35          2HB       PRO  35   4.232  -8.749  -3.356
  234   2HB   PRO  35          1HB       PRO  35   2.508  -8.971  -3.667
  235   1HG   PRO  35          2HG       PRO  35   4.067  -7.311  -5.131
  236   2HG   PRO  35          1HG       PRO  35   2.340  -7.028  -4.862
  237   1HD   PRO  35          2HD       PRO  35   4.696  -5.697  -3.633
  238   2HD   PRO  35          1HD       PRO  35   3.094  -5.036  -4.014
  239    H    LYS  36           H        LYS  36   2.527  -9.500  -0.363
  240    HA   LYS  36           HA       LYS  36   4.810  -8.856   1.237
  241   1HB   LYS  36          2HB       LYS  36   2.589  -9.743   2.137
  242   2HB   LYS  36          1HB       LYS  36   3.128 -11.326   1.584
  243   1HG   LYS  36          2HG       LYS  36   3.589 -10.843   3.995
  244   2HG   LYS  36          1HG       LYS  36   5.010 -11.287   3.047
  245   1HD   LYS  36          2HD       LYS  36   5.451  -8.823   2.753
  246   2HD   LYS  36          1HD       LYS  36   4.176  -8.527   3.935
  247   1HE   LYS  36          2HE       LYS  36   5.399  -9.670   5.641
  248   2HE   LYS  36          1HE       LYS  36   6.592 -10.244   4.478
  249   1HZ   LYS  36          1HZ       LYS  36   7.562  -8.171   4.301
  250   2HZ   LYS  36          2HZ       LYS  36   7.132  -8.203   5.942
  251   3HZ   LYS  36          3HZ       LYS  36   6.178  -7.350   4.839
  252    H    GLY  37           H        GLY  37   6.626  -9.930   1.453
  253   1HA   GLY  37          2HA       GLY  37   7.680 -12.263   0.946
  254   2HA   GLY  37          1HA       GLY  37   7.387 -11.742  -0.712
  255    H    TRP  38           H        TRP  38   8.200  -9.582   1.856
  256    HA   TRP  38           HA       TRP  38  10.940  -9.455   1.719
  257   1HB   TRP  38          2HB       TRP  38  11.259  -7.308   0.495
  258   2HB   TRP  38          1HB       TRP  38  10.772  -8.624  -0.557
  259    HD1  TRP  38           HD       TRP  38   7.575  -7.746   0.775
  260    HE1  TRP  38           1HE      TRP  38   6.365  -5.988  -0.638
  261    HE3  TRP  38           3HE      TRP  38  11.544  -6.013  -1.944
  262    HZ2  TRP  38           2HZ      TRP  38   6.997  -4.099  -2.637
  263    HZ3  TRP  38           3HZ      TRP  38  11.152  -4.225  -3.586
  264    HH2  TRP  38           HH       TRP  38   8.924  -3.288  -3.924
  Start of MODEL    3
    1   1H    LYS   1          1HT       LYS   1 -14.370  -5.198   0.152
    2   2H    LYS   1          2HT       LYS   1 -13.065  -5.291   1.226
    3    H    LYS   1           H        LYS   1 -13.351  -5.309   1.229
    4   3H    LYS   1          3HT       LYS   1 -12.982  -6.069  -0.275
    5    HA   LYS   1           HA       LYS   1 -12.597  -4.164  -1.430
    6   1HB   LYS   1          2HB       LYS   1 -14.682  -3.122  -0.604
    7   2HB   LYS   1          1HB       LYS   1 -13.876  -2.704   0.900
    8   1HG   LYS   1          2HG       LYS   1 -13.889  -0.738  -0.354
    9   2HG   LYS   1          1HG       LYS   1 -12.251  -1.369  -0.521
   10   1HD   LYS   1          2HD       LYS   1 -13.060  -2.457  -2.676
   11   2HD   LYS   1          1HD       LYS   1 -14.492  -1.438  -2.525
   12   1HE   LYS   1          2HE       LYS   1 -11.630  -0.600  -2.911
   13   2HE   LYS   1          1HE       LYS   1 -13.018  -0.264  -3.944
   14   1HZ   LYS   1          1HZ       LYS   1 -13.824   0.912  -1.726
   15   2HZ   LYS   1          2HZ       LYS   1 -12.874   1.710  -2.871
   16   3HZ   LYS   1          3HZ       LYS   1 -12.151   1.059  -1.483
   17    H    CYS   2           H        CYS   2 -10.438  -3.988  -1.436
   18    HA   CYS   2           HA       CYS   2  -9.018  -2.643   0.665
   19   1HB   CYS   2          2HB       CYS   2  -7.469  -4.552   1.111
   20   2HB   CYS   2          1HB       CYS   2  -9.099  -4.805   1.723
   21    H    LEU   3           H        LEU   3  -6.753  -2.369   0.130
   22    HA   LEU   3           HA       LEU   3  -6.432  -1.869  -2.684
   23   1HB   LEU   3          2HB       LEU   3  -4.505  -1.507  -0.388
   24   2HB   LEU   3          1HB       LEU   3  -4.307  -0.862  -2.003
   25    HG   LEU   3           HG       LEU   3  -6.533  -0.107  -0.123
   26   1HD1  LEU   3          1HD1      LEU   3  -4.457   1.840  -0.913
   27   2HD1  LEU   3          2HD1      LEU   3  -3.979   0.598   0.245
   28   3HD1  LEU   3          3HD1      LEU   3  -5.336   1.665   0.606
   29   1HD2  LEU   3          1HD2      LEU   3  -7.249   0.159  -2.381
   30   2HD2  LEU   3          2HD2      LEU   3  -5.716   0.899  -2.842
   31   3HD2  LEU   3          3HD2      LEU   3  -6.823   1.759  -1.771
   32    H    ALA   4           H        ALA   4  -5.430  -3.147  -4.118
   33    HA   ALA   4           HA       ALA   4  -4.382  -5.685  -3.273
   34   1HB   ALA   4          1HB       ALA   4  -5.763  -5.257  -5.353
   35   2HB   ALA   4          2HB       ALA   4  -4.333  -6.271  -5.549
   36   3HB   ALA   4          3HB       ALA   4  -4.297  -4.585  -6.066
   37    H    GLU   5           H        GLU   5  -2.405  -6.082  -5.219
   38    HA   GLU   5           HA       GLU   5  -0.149  -5.066  -3.825
   39   1HB   GLU   5          2HB       GLU   5   1.110  -6.249  -5.714
   40   2HB   GLU   5          1HB       GLU   5   0.140  -7.229  -4.626
   41   1HG   GLU   5          2HG       GLU   5  -1.703  -6.954  -6.423
   42   2HG   GLU   5          1HG       GLU   5  -0.357  -6.517  -7.478
   43    H    ALA   6           H        ALA   6   1.122  -3.475  -4.230
   44    HA   ALA   6           HA       ALA   6   2.025  -1.587  -5.087
   45   1HB   ALA   6          1HB       ALA   6   1.254  -2.992  -7.614
   46   2HB   ALA   6          2HB       ALA   6   2.859  -2.622  -6.983
   47   3HB   ALA   6          3HB       ALA   6   1.863  -1.338  -7.669
   48    H    ALA   7           H        ALA   7  -0.514  -1.472  -3.975
   49    HA   ALA   7           HA       ALA   7  -1.938   0.416  -5.732
   50   1HB   ALA   7          1HB       ALA   7  -3.601  -0.084  -3.578
   51   2HB   ALA   7          2HB       ALA   7  -2.825  -1.636  -3.896
   52   3HB   ALA   7          3HB       ALA   7  -3.706  -0.811  -5.182
   53    H    ASP   8           H        ASP   8  -2.156   2.519  -5.203
   54    HA   ASP   8           HA       ASP   8  -0.570   3.651  -3.164
   55   1HB   ASP   8          2HB       ASP   8  -1.199   4.882  -5.214
   56   2HB   ASP   8          1HB       ASP   8  -2.872   4.928  -4.663
   57    H    CYS   9           H        CYS   9  -0.973   4.169  -1.123
   58    HA   CYS   9           HA       CYS   9  -3.504   3.328   0.038
   59   1HB   CYS   9          2HB       CYS   9  -1.201   4.468   1.587
   60   2HB   CYS   9          1HB       CYS   9  -2.415   3.311   2.111
   61    H    SER  10           H        SER  10  -4.710   4.688   1.442
   62    HA   SER  10           HA       SER  10  -4.880   7.394   0.487
   63   1HB   SER  10          2HB       SER  10  -6.426   6.054   2.717
   64   2HB   SER  10          1HB       SER  10  -6.873   7.529   1.856
   65    HG   SER  10           HG       SER  10  -6.462   5.675   0.030
   66    HA   PRO  11           HA       PRO  11  -2.010   9.140   3.370
   67   1HB   PRO  11          2HB       PRO  11  -3.028  11.712   3.265
   68   2HB   PRO  11          1HB       PRO  11  -1.885  11.023   2.107
   69   1HG   PRO  11          2HG       PRO  11  -4.861  11.276   1.915
   70   2HG   PRO  11          1HG       PRO  11  -3.632  11.566   0.672
   71   1HD   PRO  11          2HD       PRO  11  -5.052   9.316   0.676
   72   2HD   PRO  11          1HD       PRO  11  -3.321   9.292   0.276
   73    H    TRP  12           H        TRP  12  -5.328  10.452   3.771
   74    HA   TRP  12           HA       TRP  12  -4.865  10.573   6.639
   75   1HB   TRP  12          2HB       TRP  12  -7.259  11.479   5.025
   76   2HB   TRP  12          1HB       TRP  12  -7.011  11.771   6.743
   77    HD1  TRP  12           HD       TRP  12  -4.966  13.476   7.392
   78    HE1  TRP  12           1HE      TRP  12  -4.009  15.478   6.089
   79    HE3  TRP  12           3HE      TRP  12  -6.805  12.382   2.746
   80    HZ2  TRP  12           2HZ      TRP  12  -4.037  16.468   3.447
   81    HZ3  TRP  12           3HZ      TRP  12  -6.299  13.913   0.887
   82    HH2  TRP  12           HH       TRP  12  -4.943  15.914   1.233
   83    H    SER  13           H        SER  13  -7.415   9.275   4.516
   84    HA   SER  13           HA       SER  13  -7.586   6.843   6.029
   85   1HB   SER  13          2HB       SER  13  -9.901   8.803   6.129
   86   2HB   SER  13          1HB       SER  13  -9.973   7.128   6.672
   87    HG   SER  13           HG       SER  13  -7.872   8.395   7.798
   88    H    GLY  14           H        GLY  14  -8.699   5.238   4.914
   89   1HA   GLY  14          2HA       GLY  14 -10.502   5.559   2.834
   90   2HA   GLY  14          1HA       GLY  14  -8.900   5.585   2.109
   91    H    ASP  15           H        ASP  15  -9.045   3.653   1.036
   92    HA   ASP  15           HA       ASP  15 -10.000   1.253   2.202
   93   1HB   ASP  15          2HB       ASP  15  -8.508   1.932  -0.279
   94   2HB   ASP  15          1HB       ASP  15  -8.488   0.264   0.257
   95    H    SER  16           H        SER  16  -8.878  -0.562   2.848
   96    HA   SER  16           HA       SER  16  -6.202  -0.022   3.917
   97   1HB   SER  16          2HB       SER  16  -8.058  -2.276   4.683
   98   2HB   SER  16          1HB       SER  16  -6.614  -1.747   5.538
   99    HG   SER  16           HG       SER  16  -8.478   0.234   5.158
  100    H    CYS  17           H        CYS  17  -4.539  -1.512   3.514
  101    HA   CYS  17           HA       CYS  17  -4.575  -2.702   0.957
  102   1HB   CYS  17          2HB       CYS  17  -2.631  -3.299   3.192
  103   2HB   CYS  17          1HB       CYS  17  -2.359  -3.509   1.468
  104    H    CYS  18           H        CYS  18  -4.869  -4.775   0.289
  105    HA   CYS  18           HA       CYS  18  -6.320  -6.609   1.885
  106   1HB   CYS  18          2HB       CYS  18  -4.722  -7.207  -0.624
  107   2HB   CYS  18          1HB       CYS  18  -6.008  -8.196   0.051
  108    H    LYS  19           H        LYS  19  -5.553  -8.744   2.588
  109    HA   LYS  19           HA       LYS  19  -2.792  -8.505   3.496
  110   1HB   LYS  19          2HB       LYS  19  -4.835 -10.510   4.432
  111   2HB   LYS  19          1HB       LYS  19  -3.304 -10.117   5.176
  112   1HG   LYS  19          2HG       LYS  19  -5.786  -8.444   5.081
  113   2HG   LYS  19          1HG       LYS  19  -4.934  -9.064   6.495
  114   1HD   LYS  19          2HD       LYS  19  -3.940  -6.945   4.586
  115   2HD   LYS  19          1HD       LYS  19  -4.519  -6.682   6.229
  116   1HE   LYS  19          2HE       LYS  19  -2.659  -7.893   7.141
  117   2HE   LYS  19          1HE       LYS  19  -2.137  -8.392   5.532
  118   1HZ   LYS  19          1HZ       LYS  19  -0.974  -6.414   6.665
  119   2HZ   LYS  19          2HZ       LYS  19  -2.338  -5.531   6.200
  120   3HZ   LYS  19          3HZ       LYS  19  -1.380  -6.285   5.024
  121    HA   PRO  20           HA       PRO  20  -1.518  -9.781   4.461
  122   1HB   PRO  20          2HB       PRO  20   0.881 -10.948   4.324
  123   2HB   PRO  20          1HB       PRO  20  -0.564 -11.866   4.758
  124   1HG   PRO  20          2HG       PRO  20   0.969 -11.847   2.217
  125   2HG   PRO  20          1HG       PRO  20   0.033 -13.155   2.957
  126   1HD   PRO  20          2HD       PRO  20  -0.798 -11.388   0.881
  127   2HD   PRO  20          1HD       PRO  20  -1.779 -12.609   1.714
  128    H    TYR  21           H        TYR  21  -1.547  -8.323   1.855
  129    HA   TYR  21           HA       TYR  21   1.076  -7.369   1.298
  130   1HB   TYR  21          2HB       TYR  21  -1.519  -5.912   0.695
  131   2HB   TYR  21          1HB       TYR  21   0.041  -5.680  -0.076
  132    HD1  TYR  21           1HD      TYR  21   0.567  -6.811  -2.015
  133    HD2  TYR  21           2HD      TYR  21  -2.617  -8.270   0.393
  134    HE1  TYR  21           1HE      TYR  21  -0.004  -8.435  -3.764
  135    HE2  TYR  21           2HE      TYR  21  -3.194  -9.905  -1.352
  136    HH   TYR  21           HH       TYR  21  -1.479  -9.942  -4.472
  137    H    LEU  22           H        LEU  22   1.913  -5.247   1.713
  138    HA   LEU  22           HA       LEU  22   0.774  -3.934   4.086
  139   1HB   LEU  22          2HB       LEU  22   2.555  -5.398   4.851
  140   2HB   LEU  22          1HB       LEU  22   3.658  -4.715   3.674
  141    HG   LEU  22           HG       LEU  22   3.481  -2.524   4.858
  142   1HD1  LEU  22          1HD1      LEU  22   1.306  -3.754   6.114
  143   2HD1  LEU  22          2HD1      LEU  22   1.987  -2.165   6.457
  144   3HD1  LEU  22          3HD1      LEU  22   2.541  -3.573   7.362
  145   1HD2  LEU  22          1HD2      LEU  22   4.449  -4.913   6.417
  146   2HD2  LEU  22          2HD2      LEU  22   4.826  -3.240   6.829
  147   3HD2  LEU  22          3HD2      LEU  22   5.376  -3.918   5.296
  148    H    CYS  23           H        CYS  23   0.831  -1.749   4.043
  149    HA   CYS  23           HA       CYS  23   1.491  -0.452   1.591
  150   1HB   CYS  23          2HB       CYS  23  -0.426   0.260   2.964
  151   2HB   CYS  23          1HB       CYS  23   0.680   0.747   4.246
  152    H    SER  24           H        SER  24   3.415   0.272   1.002
  153    HA   SER  24           HA       SER  24   5.497   0.567   3.004
  154   1HB   SER  24          2HB       SER  24   6.993   0.931   1.039
  155   2HB   SER  24          1HB       SER  24   6.114  -0.595   0.958
  156    HG   SER  24           HG       SER  24   4.559   1.086  -0.238
  157    H    CYS  25           H        CYS  25   6.106   2.427   3.822
  158    HA   CYS  25           HA       CYS  25   5.350   4.950   2.526
  159   1HB   CYS  25          2HB       CYS  25   4.824   4.028   5.318
  160   2HB   CYS  25          1HB       CYS  25   5.282   5.710   5.090
  161    H    ILE  26           H        ILE  26   7.569   4.704   1.740
  162    HA   ILE  26           HA       ILE  26   9.787   4.704   3.517
  163    HB   ILE  26           HB       ILE  26  11.083   5.420   1.463
  164   1HG1  ILE  26          2HG1      ILE  26   8.398   4.976   0.130
  165   2HG1  ILE  26          1HG1      ILE  26   9.190   6.537   0.311
  166   1HG2  ILE  26          1HG2      ILE  26  10.741   3.205   0.354
  167   2HG2  ILE  26          2HG2      ILE  26   9.386   2.939   1.453
  168   3HG2  ILE  26          3HG2      ILE  26  11.017   3.134   2.095
  169   1HD1  ILE  26          1HD1      ILE  26  10.488   6.195  -1.463
  170   2HD1  ILE  26          2HD1      ILE  26   9.385   4.874  -1.852
  171   3HD1  ILE  26          3HD1      ILE  26  10.878   4.546  -0.974
  172    H    PHE  27           H        PHE  27   8.115   6.695   4.411
  173    HA   PHE  27           HA       PHE  27   8.083   8.822   5.171
  174   1HB   PHE  27          2HB       PHE  27  10.985   8.584   4.411
  175   2HB   PHE  27          1HB       PHE  27  10.338  10.044   5.138
  176    HD1  PHE  27           1HD      PHE  27  10.901  10.236   7.342
  177    HD2  PHE  27           2HD      PHE  27   9.961   6.381   5.805
  178    HE1  PHE  27           1HE      PHE  27  11.234   9.267   9.577
  179    HE2  PHE  27           2HE      PHE  27  10.289   5.406   8.038
  180    HZ   PHE  27           HZ       PHE  27  10.926   6.849   9.929
  181    H    PHE  28           H        PHE  28   7.774   8.205   2.188
  182    HA   PHE  28           HA       PHE  28   7.442  10.969   1.385
  183   1HB   PHE  28          2HB       PHE  28   9.190   9.036  -0.150
  184   2HB   PHE  28          1HB       PHE  28   8.499  10.481  -0.871
  185    HD1  PHE  28           1HD      PHE  28  11.046   9.159   1.367
  186    HD2  PHE  28           2HD      PHE  28   9.280  12.694  -0.213
  187    HE1  PHE  28           1HE      PHE  28  12.979  10.467   2.145
  188    HE2  PHE  28           2HE      PHE  28  11.212  14.008   0.560
  189    HZ   PHE  28           HZ       PHE  28  13.065  12.895   1.740
  190    H    TYR  29           H        TYR  29   5.808  11.247  -0.072
  191    HA   TYR  29           HA       TYR  29   4.017   9.012  -0.474
  192   1HB   TYR  29          2HB       TYR  29   3.438  11.539   0.029
  193   2HB   TYR  29          1HB       TYR  29   3.631  11.731  -1.709
  194    HD1  TYR  29           1HD      TYR  29   1.645  11.744  -2.882
  195    HD2  TYR  29           2HD      TYR  29   1.945   9.286   0.579
  196    HE1  TYR  29           1HE      TYR  29  -0.674  11.001  -3.216
  197    HE2  TYR  29           2HE      TYR  29  -0.373   8.531   0.251
  198    HH   TYR  29           HH       TYR  29  -1.978   8.484  -2.218
  199    HA   PRO  30           HA       PRO  30   2.410   8.621  -1.935
  200   1HB   PRO  30          2HB       PRO  30   1.816   6.746  -3.907
  201   2HB   PRO  30          1HB       PRO  30   1.341   8.444  -3.913
  202   1HG   PRO  30          2HG       PRO  30   3.150   7.159  -5.680
  203   2HG   PRO  30          1HG       PRO  30   2.783   8.888  -5.588
  204   1HD   PRO  30          2HD       PRO  30   5.075   7.378  -4.464
  205   2HD   PRO  30          1HD       PRO  30   4.978   9.074  -4.981
  206    H    CYS  31           H        CYS  31   1.913   7.090  -0.507
  207    HA   CYS  31           HA       CYS  31   3.723   4.875  -0.079
  208   1HB   CYS  31          2HB       CYS  31   1.213   5.790   1.333
  209   2HB   CYS  31          1HB       CYS  31   2.070   4.324   1.776
  210    H    SER  32           H        SER  32   3.238   2.711  -0.561
  211    HA   SER  32           HA       SER  32   0.567   2.198  -1.625
  212   1HB   SER  32          2HB       SER  32   1.886   0.961  -3.571
  213   2HB   SER  32          1HB       SER  32   1.460   2.670  -3.677
  214    HG   SER  32           HG       SER  32   3.534   3.203  -3.012
  215    H    CYS  33           H        CYS  33  -0.187   0.177  -1.420
  216    HA   CYS  33           HA       CYS  33   1.105  -1.590   0.392
  217   1HB   CYS  33          2HB       CYS  33  -1.121  -2.459  -1.427
  218   2HB   CYS  33          1HB       CYS  33  -0.796  -2.936   0.226
  219    H    ARG  34           H        ARG  34   2.474  -3.159   0.007
  220    HA   ARG  34           HA       ARG  34   2.961  -3.973  -2.782
  221   1HB   ARG  34          2HB       ARG  34   4.940  -3.949  -0.488
  222   2HB   ARG  34          1HB       ARG  34   5.287  -4.341  -2.167
  223   1HG   ARG  34          2HG       ARG  34   4.415  -1.648  -1.132
  224   2HG   ARG  34          1HG       ARG  34   6.058  -2.104  -1.580
  225   1HD   ARG  34          2HD       ARG  34   5.392  -2.428  -3.874
  226   2HD   ARG  34          1HD       ARG  34   3.702  -2.144  -3.462
  227    HE   ARG  34           HE       ARG  34   4.098   0.090  -3.636
  228   1HH1  ARG  34          1HH1      ARG  34   7.190  -1.482  -3.092
  229   2HH1  ARG  34          2HH1      ARG  34   8.094  -0.011  -3.203
  230   1HH2  ARG  34          1HH2      ARG  34   5.280   2.015  -3.779
  231   2HH2  ARG  34          2HH2      ARG  34   7.006   1.989  -3.594
  232    HA   PRO  35           HA       PRO  35   1.938  -8.129  -1.698
  233   1HB   PRO  35          2HB       PRO  35   4.278  -9.106  -3.167
  234   2HB   PRO  35          1HB       PRO  35   2.564  -9.353  -3.503
  235   1HG   PRO  35          2HG       PRO  35   4.193  -7.756  -5.000
  236   2HG   PRO  35          1HG       PRO  35   2.440  -7.534  -4.864
  237   1HD   PRO  35          2HD       PRO  35   4.646  -5.981  -3.647
  238   2HD   PRO  35          1HD       PRO  35   3.008  -5.469  -4.088
  239    H    LYS  36           H        LYS  36   2.609  -9.799  -0.261
  240    HA   LYS  36           HA       LYS  36   4.787  -8.977   1.417
  241   1HB   LYS  36          2HB       LYS  36   2.599  -9.994   2.239
  242   2HB   LYS  36          1HB       LYS  36   3.245 -11.543   1.718
  243   1HG   LYS  36          2HG       LYS  36   3.501 -10.671   4.202
  244   2HG   LYS  36          1HG       LYS  36   4.731 -11.662   3.428
  245   1HD   LYS  36          2HD       LYS  36   5.682  -9.741   4.656
  246   2HD   LYS  36          1HD       LYS  36   6.064  -9.700   2.942
  247   1HE   LYS  36          2HE       LYS  36   4.112  -8.108   2.675
  248   2HE   LYS  36          1HE       LYS  36   4.057  -8.023   4.436
  249   1HZ   LYS  36          1HZ       LYS  36   6.381  -7.246   4.395
  250   2HZ   LYS  36          2HZ       LYS  36   5.348  -6.199   3.569
  251   3HZ   LYS  36          3HZ       LYS  36   6.361  -7.243   2.700
  252    H    GLY  37           H        GLY  37   6.714  -9.563   1.351
  253   1HA   GLY  37          2HA       GLY  37   8.207 -11.678   1.028
  254   2HA   GLY  37          1HA       GLY  37   7.658 -11.462  -0.645
  255    H    TRP  38           H        TRP  38   7.252  -8.654  -0.097
  256    HA   TRP  38           HA       TRP  38  10.000  -7.633  -0.228
  257   1HB   TRP  38          2HB       TRP  38   7.490  -6.523  -1.539
  258   2HB   TRP  38          1HB       TRP  38   9.088  -5.795  -1.620
  259    HD1  TRP  38           HD       TRP  38  10.615  -6.542  -3.555
  260    HE1  TRP  38           1HE      TRP  38  10.452  -8.292  -5.433
  261    HE3  TRP  38           3HE      TRP  38   6.412  -9.000  -2.012
  262    HZ2  TRP  38           2HZ      TRP  38   8.757 -10.426  -6.171
  263    HZ3  TRP  38           3HZ      TRP  38   5.579 -10.877  -3.361
  264    HH2  TRP  38           HH       TRP  38   6.728 -11.575  -5.401
  Start of MODEL    4
    1   1H    LYS   1          1HT       LYS   1 -13.196  -4.722   1.333
    2   2H    LYS   1          2HT       LYS   1 -13.421  -5.464  -0.171
    3    H    LYS   1           H        LYS   1 -13.776  -4.507   1.349
    4   3H    LYS   1          3HT       LYS   1 -14.575  -4.374   0.414
    5    HA   LYS   1           HA       LYS   1 -12.778  -3.658  -1.348
    6   1HB   LYS   1          2HB       LYS   1 -14.606  -2.278  -0.427
    7   2HB   LYS   1          1HB       LYS   1 -13.670  -2.009   1.036
    8   1HG   LYS   1          2HG       LYS   1 -13.342  -0.058  -0.155
    9   2HG   LYS   1          1HG       LYS   1 -11.903  -0.998  -0.548
   10   1HD   LYS   1          2HD       LYS   1 -13.029  -1.745  -2.633
   11   2HD   LYS   1          1HD       LYS   1 -14.371  -0.665  -2.251
   12   1HE   LYS   1          2HE       LYS   1 -11.515   0.082  -2.846
   13   2HE   LYS   1          1HE       LYS   1 -12.946   0.462  -3.801
   14   1HZ   LYS   1          1HZ       LYS   1 -13.322   1.463  -1.212
   15   2HZ   LYS   1          2HZ       LYS   1 -13.150   2.332  -2.652
   16   3HZ   LYS   1          3HZ       LYS   1 -11.780   1.945  -1.725
   17    H    CYS   2           H        CYS   2 -10.613  -3.544  -1.530
   18    HA   CYS   2           HA       CYS   2  -8.982  -2.525   0.578
   19   1HB   CYS   2          2HB       CYS   2  -7.548  -4.535   0.819
   20   2HB   CYS   2          1HB       CYS   2  -9.174  -4.778   1.441
   21    H    LEU   3           H        LEU   3  -6.765  -2.318  -0.049
   22    HA   LEU   3           HA       LEU   3  -6.538  -1.595  -2.821
   23   1HB   LEU   3          2HB       LEU   3  -4.524  -1.513  -0.577
   24   2HB   LEU   3          1HB       LEU   3  -4.347  -0.738  -2.137
   25    HG   LEU   3           HG       LEU   3  -6.539  -0.083  -0.184
   26   1HD1  LEU   3          1HD1      LEU   3  -3.802   0.560  -0.033
   27   2HD1  LEU   3          2HD1      LEU   3  -5.128   1.173   0.955
   28   3HD1  LEU   3          3HD1      LEU   3  -4.660   2.022  -0.519
   29   1HD2  LEU   3          1HD2      LEU   3  -6.520   0.383  -2.832
   30   2HD2  LEU   3          2HD2      LEU   3  -5.660   1.815  -2.265
   31   3HD2  LEU   3          3HD2      LEU   3  -7.278   1.461  -1.659
   32    H    ALA   4           H        ALA   4  -5.481  -2.661  -4.398
   33    HA   ALA   4           HA       ALA   4  -4.671  -5.365  -3.895
   34   1HB   ALA   4          1HB       ALA   4  -5.002  -5.679  -6.084
   35   2HB   ALA   4          2HB       ALA   4  -4.046  -4.267  -6.531
   36   3HB   ALA   4          3HB       ALA   4  -5.731  -4.073  -6.047
   37    H    GLU   5           H        GLU   5  -2.642  -5.727  -5.711
   38    HA   GLU   5           HA       GLU   5  -0.362  -5.125  -4.152
   39   1HB   GLU   5          2HB       GLU   5  -0.531  -7.195  -5.369
   40   2HB   GLU   5          1HB       GLU   5  -0.677  -6.336  -6.895
   41   1HG   GLU   5          2HG       GLU   5   1.570  -5.725  -6.901
   42   2HG   GLU   5          1HG       GLU   5   1.755  -6.048  -5.176
   43    H    ALA   6           H        ALA   6   1.076  -3.587  -4.316
   44    HA   ALA   6           HA       ALA   6   2.109  -1.654  -4.884
   45   1HB   ALA   6          1HB       ALA   6   1.616  -2.948  -7.509
   46   2HB   ALA   6          2HB       ALA   6   3.132  -2.453  -6.755
   47   3HB   ALA   6          3HB       ALA   6   2.091  -1.250  -7.517
   48    H    ALA   7           H        ALA   7  -0.344  -1.276  -3.902
   49    HA   ALA   7           HA       ALA   7  -1.466   0.830  -5.646
   50   1HB   ALA   7          1HB       ALA   7  -2.757  -1.453  -4.609
   51   2HB   ALA   7          2HB       ALA   7  -3.462  -0.122  -5.527
   52   3HB   ALA   7          3HB       ALA   7  -3.417  -0.053  -3.765
   53    H    ASP   8           H        ASP   8  -1.572   2.818  -4.845
   54    HA   ASP   8           HA       ASP   8  -0.310   3.595  -2.509
   55   1HB   ASP   8          2HB       ASP   8  -2.506   5.084  -3.964
   56   2HB   ASP   8          1HB       ASP   8  -1.331   5.790  -2.859
   57    H    CYS   9           H        CYS   9  -0.823   3.624  -0.452
   58    HA   CYS   9           HA       CYS   9  -3.577   3.017   0.340
   59   1HB   CYS   9          2HB       CYS   9  -2.092   2.774   2.627
   60   2HB   CYS   9          1HB       CYS   9  -2.504   1.452   1.543
   61    H    SER  10           H        SER  10  -4.608   4.169   1.962
   62    HA   SER  10           HA       SER  10  -3.915   6.961   2.059
   63   1HB   SER  10          2HB       SER  10  -6.119   5.518   3.544
   64   2HB   SER  10          1HB       SER  10  -6.029   7.242   3.178
   65    HG   SER  10           HG       SER  10  -5.803   6.040   0.876
   66    HA   PRO  11           HA       PRO  11  -1.378   6.533   5.684
   67   1HB   PRO  11          2HB       PRO  11  -1.166   9.199   6.241
   68   2HB   PRO  11          1HB       PRO  11  -0.238   8.379   4.981
   69   1HG   PRO  11          2HG       PRO  11  -2.745   9.998   4.738
   70   2HG   PRO  11          1HG       PRO  11  -1.300  10.021   3.715
   71   1HD   PRO  11          2HD       PRO  11  -3.529   8.719   2.980
   72   2HD   PRO  11          1HD       PRO  11  -1.913   8.097   2.587
   73    H    TRP  12           H        TRP  12  -3.855   9.113   6.035
   74    HA   TRP  12           HA       TRP  12  -4.075   8.548   8.842
   75   1HB   TRP  12          2HB       TRP  12  -5.448  10.502   7.016
   76   2HB   TRP  12          1HB       TRP  12  -5.983  10.273   8.678
   77    HD1  TRP  12           HD       TRP  12  -4.373  11.144  10.623
   78    HE1  TRP  12           1HE      TRP  12  -2.432  12.832  10.623
   79    HE3  TRP  12           3HE      TRP  12  -3.504  11.391   5.589
   80    HZ2  TRP  12           2HZ      TRP  12  -0.759  14.106   8.743
   81    HZ3  TRP  12           3HZ      TRP  12  -1.720  12.875   4.773
   82    HH2  TRP  12           HH       TRP  12  -0.376  14.204   6.319
   83    H    SER  13           H        SER  13  -6.385   8.361   6.122
   84    HA   SER  13           HA       SER  13  -7.577   5.991   7.248
   85   1HB   SER  13          2HB       SER  13  -9.198   8.549   7.100
   86   2HB   SER  13          1HB       SER  13  -9.859   6.950   7.429
   87    HG   SER  13           HG       SER  13  -7.806   7.445   9.094
   88    H    GLY  14           H        GLY  14  -8.620   4.793   5.731
   89   1HA   GLY  14          2HA       GLY  14  -9.955   5.571   3.473
   90   2HA   GLY  14          1HA       GLY  14  -8.265   5.521   2.986
   91    H    ASP  15           H        ASP  15  -8.671   3.792   1.557
   92    HA   ASP  15           HA       ASP  15  -9.823   1.335   2.424
   93   1HB   ASP  15          2HB       ASP  15  -8.146   2.045   0.025
   94   2HB   ASP  15          1HB       ASP  15  -8.712   0.416   0.323
   95    H    SER  16           H        SER  16  -8.858  -0.536   3.041
   96    HA   SER  16           HA       SER  16  -6.125  -0.295   4.034
   97   1HB   SER  16          2HB       SER  16  -8.055  -2.571   4.497
   98   2HB   SER  16          1HB       SER  16  -6.610  -2.181   5.426
   99    HG   SER  16           HG       SER  16  -8.287  -0.068   5.343
  100    H    CYS  17           H        CYS  17  -4.519  -1.827   3.484
  101    HA   CYS  17           HA       CYS  17  -4.574  -2.704   0.790
  102   1HB   CYS  17          2HB       CYS  17  -2.675  -3.625   2.961
  103   2HB   CYS  17          1HB       CYS  17  -2.394  -3.654   1.226
  104    H    CYS  18           H        CYS  18  -4.893  -4.728  -0.090
  105    HA   CYS  18           HA       CYS  18  -6.457  -6.624   1.343
  106   1HB   CYS  18          2HB       CYS  18  -4.905  -7.011  -1.239
  107   2HB   CYS  18          1HB       CYS  18  -6.160  -8.076  -0.628
  108    H    LYS  19           H        LYS  19  -5.820  -8.489   2.361
  109    HA   LYS  19           HA       LYS  19  -3.058  -8.558   3.135
  110   1HB   LYS  19          2HB       LYS  19  -5.181 -10.576   3.830
  111   2HB   LYS  19          1HB       LYS  19  -3.690 -10.248   4.683
  112   1HG   LYS  19          2HG       LYS  19  -6.010  -8.352   4.446
  113   2HG   LYS  19          1HG       LYS  19  -5.596  -9.314   5.867
  114   1HD   LYS  19          2HD       LYS  19  -3.517  -8.131   6.129
  115   2HD   LYS  19          1HD       LYS  19  -3.766  -7.273   4.608
  116   1HE   LYS  19          2HE       LYS  19  -4.289  -5.832   6.491
  117   2HE   LYS  19          1HE       LYS  19  -5.743  -6.179   5.558
  118   1HZ   LYS  19          1HZ       LYS  19  -6.668  -7.291   7.258
  119   2HZ   LYS  19          2HZ       LYS  19  -5.590  -6.398   8.208
  120   3HZ   LYS  19          3HZ       LYS  19  -5.210  -7.985   7.763
  121    HA   PRO  20           HA       PRO  20  -1.838  -9.868   3.990
  122   1HB   PRO  20          2HB       PRO  20   0.506 -11.152   3.870
  123   2HB   PRO  20          1HB       PRO  20  -0.996 -12.009   4.231
  124   1HG   PRO  20          2HG       PRO  20   0.625 -12.010   1.755
  125   2HG   PRO  20          1HG       PRO  20  -0.462 -13.256   2.389
  126   1HD   PRO  20          2HD       PRO  20  -1.016 -11.280   0.381
  127   2HD   PRO  20          1HD       PRO  20  -2.112 -12.515   1.029
  128    H    TYR  21           H        TYR  21  -1.724  -8.245   1.496
  129    HA   TYR  21           HA       TYR  21   1.014  -7.451   1.141
  130   1HB   TYR  21          2HB       TYR  21  -1.493  -5.977   0.273
  131   2HB   TYR  21          1HB       TYR  21   0.149  -5.628  -0.239
  132    HD1  TYR  21           1HD      TYR  21   0.852  -6.440  -2.243
  133    HD2  TYR  21           2HD      TYR  21  -2.233  -8.536  -0.206
  134    HE1  TYR  21           1HE      TYR  21   0.654  -7.979  -4.141
  135    HE2  TYR  21           2HE      TYR  21  -2.439 -10.087  -2.106
  136    HH   TYR  21           HH       TYR  21  -0.391  -9.704  -5.008
  137    H    LEU  22           H        LEU  22   2.009  -5.589   1.809
  138    HA   LEU  22           HA       LEU  22   0.751  -4.277   4.126
  139   1HB   LEU  22          2HB       LEU  22   2.574  -5.740   4.783
  140   2HB   LEU  22          1HB       LEU  22   3.646  -4.959   3.639
  141    HG   LEU  22           HG       LEU  22   3.422  -2.847   4.957
  142   1HD1  LEU  22          1HD1      LEU  22   1.226  -3.546   5.994
  143   2HD1  LEU  22          2HD1      LEU  22   2.405  -2.816   7.085
  144   3HD1  LEU  22          3HD1      LEU  22   2.168  -4.564   7.081
  145   1HD2  LEU  22          1HD2      LEU  22   4.571  -4.049   7.077
  146   2HD2  LEU  22          2HD2      LEU  22   5.396  -3.763   5.544
  147   3HD2  LEU  22          3HD2      LEU  22   4.686  -5.341   5.881
  148    H    CYS  23           H        CYS  23   0.832  -2.110   4.285
  149    HA   CYS  23           HA       CYS  23   1.358  -0.569   1.936
  150   1HB   CYS  23          2HB       CYS  23  -0.470  -0.018   3.498
  151   2HB   CYS  23          1HB       CYS  23   0.705   0.294   4.769
  152    H    SER  24           H        SER  24   3.229   0.460   1.397
  153    HA   SER  24           HA       SER  24   5.319   0.547   3.463
  154   1HB   SER  24          2HB       SER  24   6.961   0.482   1.610
  155   2HB   SER  24          1HB       SER  24   5.920  -0.940   1.635
  156    HG   SER  24           HG       SER  24   4.618   0.247   0.027
  157    H    CYS  25           H        CYS  25   6.091   2.422   4.074
  158    HA   CYS  25           HA       CYS  25   5.442   4.823   2.511
  159   1HB   CYS  25          2HB       CYS  25   5.878   4.506   5.492
  160   2HB   CYS  25          1HB       CYS  25   5.670   6.052   4.679
  161    H    ILE  26           H        ILE  26   7.403   3.980   1.360
  162    HA   ILE  26           HA       ILE  26   9.967   4.103   2.551
  163    HB   ILE  26           HB       ILE  26  10.787   4.128   0.162
  164   1HG1  ILE  26          2HG1      ILE  26   7.830   3.810  -0.417
  165   2HG1  ILE  26          1HG1      ILE  26   8.790   5.232  -0.811
  166   1HG2  ILE  26          1HG2      ILE  26  10.299   1.821  -0.150
  167   2HG2  ILE  26          2HG2      ILE  26   8.822   1.942   0.806
  168   3HG2  ILE  26          3HG2      ILE  26  10.395   2.107   1.588
  169   1HD1  ILE  26          1HD1      ILE  26  10.041   2.902  -1.897
  170   2HD1  ILE  26          2HD1      ILE  26   9.409   4.324  -2.728
  171   3HD1  ILE  26          3HD1      ILE  26   8.347   2.958  -2.386
  172    H    PHE  27           H        PHE  27   8.888   6.453   3.327
  173    HA   PHE  27           HA       PHE  27   9.290   8.665   3.524
  174   1HB   PHE  27          2HB       PHE  27  11.780   7.779   2.098
  175   2HB   PHE  27          1HB       PHE  27  11.532   9.463   2.532
  176    HD1  PHE  27           1HD      PHE  27  10.964   6.208   4.290
  177    HD2  PHE  27           2HD      PHE  27  12.777  10.058   4.350
  178    HE1  PHE  27           1HE      PHE  27  11.831   5.760   6.549
  179    HE2  PHE  27           2HE      PHE  27  13.649   9.616   6.608
  180    HZ   PHE  27           HZ       PHE  27  13.176   7.466   7.711
  181    H    PHE  28           H        PHE  28   7.869   7.640   1.067
  182    HA   PHE  28           HA       PHE  28   7.987  10.180  -0.390
  183   1HB   PHE  28          2HB       PHE  28   8.019   7.429  -1.584
  184   2HB   PHE  28          1HB       PHE  28   7.339   8.777  -2.471
  185    HD1  PHE  28           1HD      PHE  28   8.693   9.930  -3.900
  186    HD2  PHE  28           2HD      PHE  28  10.461   7.873  -0.625
  187    HE1  PHE  28           1HE      PHE  28  10.926  10.527  -4.737
  188    HE2  PHE  28           2HE      PHE  28  12.699   8.470  -1.451
  189    HZ   PHE  28           HZ       PHE  28  12.934   9.798  -3.511
  190    H    TYR  29           H        TYR  29   6.088  11.060  -0.758
  191    HA   TYR  29           HA       TYR  29   3.720   9.692   0.243
  192   1HB   TYR  29          2HB       TYR  29   4.345  12.080   0.902
  193   2HB   TYR  29          1HB       TYR  29   3.888  12.546  -0.732
  194    HD1  TYR  29           1HD      TYR  29   2.424  10.431   1.990
  195    HD2  TYR  29           2HD      TYR  29   1.793  13.496  -0.893
  196    HE1  TYR  29           1HE      TYR  29   0.079  10.611   2.706
  197    HE2  TYR  29           2HE      TYR  29  -0.555  13.686  -0.183
  198    HH   TYR  29           HH       TYR  29  -2.009  13.155   1.545
  199    HA   PRO  30           HA       PRO  30   2.010   9.175   0.139
  200   1HB   PRO  30          2HB       PRO  30   0.021   7.577  -0.823
  201   2HB   PRO  30          1HB       PRO  30  -0.125   9.329  -0.667
  202   1HG   PRO  30          2HG       PRO  30   0.013   7.727  -3.077
  203   2HG   PRO  30          1HG       PRO  30  -0.323   9.456  -2.914
  204   1HD   PRO  30          2HD       PRO  30   2.192   8.103  -3.603
  205   2HD   PRO  30          1HD       PRO  30   1.728   9.802  -3.831
  206    H    CYS  31           H        CYS  31   1.377   6.922   1.009
  207    HA   CYS  31           HA       CYS  31   3.566   5.126   0.486
  208   1HB   CYS  31          2HB       CYS  31   1.172   4.722   2.295
  209   2HB   CYS  31          1HB       CYS  31   2.700   3.854   2.357
  210    H    SER  32           H        SER  32   3.214   2.835  -0.114
  211    HA   SER  32           HA       SER  32   0.637   2.322  -1.395
  212   1HB   SER  32          2HB       SER  32   2.183   1.307  -3.333
  213   2HB   SER  32          1HB       SER  32   1.608   2.973  -3.353
  214    HG   SER  32           HG       SER  32   3.560   3.689  -2.779
  215    H    CYS  33           H        CYS  33  -0.056   0.283  -1.273
  216    HA   CYS  33           HA       CYS  33   1.233  -1.561   0.449
  217   1HB   CYS  33          2HB       CYS  33  -0.951  -2.341  -1.477
  218   2HB   CYS  33          1HB       CYS  33  -0.640  -2.956   0.132
  219    H    ARG  34           H        ARG  34   2.549  -3.179   0.028
  220    HA   ARG  34           HA       ARG  34   3.099  -3.906  -2.780
  221   1HB   ARG  34          2HB       ARG  34   5.095  -3.950  -0.509
  222   2HB   ARG  34          1HB       ARG  34   5.423  -4.231  -2.208
  223   1HG   ARG  34          2HG       ARG  34   4.467  -1.607  -1.097
  224   2HG   ARG  34          1HG       ARG  34   6.163  -2.018  -1.359
  225   1HD   ARG  34          2HD       ARG  34   5.843  -2.212  -3.700
  226   2HD   ARG  34          1HD       ARG  34   4.089  -2.127  -3.533
  227    HE   ARG  34           HE       ARG  34   4.236   0.152  -3.484
  228   1HH1  ARG  34          1HH1      ARG  34   7.427  -1.156  -2.872
  229   2HH1  ARG  34          2HH1      ARG  34   8.190   0.396  -2.803
  230   1HH2  ARG  34          1HH2      ARG  34   5.222   2.198  -3.368
  231   2HH2  ARG  34          2HH2      ARG  34   6.934   2.312  -3.092
  232    HA   PRO  35           HA       PRO  35   2.216  -8.091  -1.644
  233   1HB   PRO  35          2HB       PRO  35   4.293  -9.435  -2.861
  234   2HB   PRO  35          1HB       PRO  35   2.837  -8.885  -3.697
  235   1HG   PRO  35          2HG       PRO  35   5.543  -7.630  -3.580
  236   2HG   PRO  35          1HG       PRO  35   4.420  -7.753  -4.946
  237   1HD   PRO  35          2HD       PRO  35   4.717  -5.477  -3.540
  238   2HD   PRO  35          1HD       PRO  35   3.153  -5.958  -4.224
  239    H    LYS  36           H        LYS  36   2.866  -9.665  -0.079
  240    HA   LYS  36           HA       LYS  36   4.887  -8.650   1.665
  241   1HB   LYS  36          2HB       LYS  36   2.736  -9.731   2.468
  242   2HB   LYS  36          1HB       LYS  36   3.472 -11.277   2.050
  243   1HG   LYS  36          2HG       LYS  36   3.715 -10.597   4.456
  244   2HG   LYS  36          1HG       LYS  36   5.231 -10.966   3.627
  245   1HD   LYS  36          2HD       LYS  36   5.241  -8.395   3.123
  246   2HD   LYS  36          1HD       LYS  36   4.136  -8.318   4.493
  247   1HE   LYS  36          2HE       LYS  36   5.758  -9.215   5.970
  248   2HE   LYS  36          1HE       LYS  36   6.812  -9.687   4.637
  249   1HZ   LYS  36          1HZ       LYS  36   7.318  -7.546   5.983
  250   2HZ   LYS  36          2HZ       LYS  36   6.136  -6.846   5.002
  251   3HZ   LYS  36          3HZ       LYS  36   7.519  -7.535   4.299
  252    H    GLY  37           H        GLY  37   6.769  -9.445   2.150
  253   1HA   GLY  37          2HA       GLY  37   8.206 -11.606   1.894
  254   2HA   GLY  37          1HA       GLY  37   8.030 -11.191   0.183
  255    H    TRP  38           H        TRP  38   7.841  -8.410   0.657
  256    HA   TRP  38           HA       TRP  38  10.652  -7.741   0.964
  257   1HB   TRP  38          2HB       TRP  38   8.254  -6.135   0.026
  258   2HB   TRP  38          1HB       TRP  38   9.872  -5.466   0.182
  259    HD1  TRP  38           HD       TRP  38  11.360  -5.622  -1.896
  260    HE1  TRP  38           1HE      TRP  38  11.260  -6.869  -4.144
  261    HE3  TRP  38           3HE      TRP  38   7.244  -8.527  -1.035
  262    HZ2  TRP  38           2HZ      TRP  38   9.644  -8.817  -5.392
  263    HZ3  TRP  38           3HZ      TRP  38   6.483 -10.051  -2.807
  264    HH2  TRP  38           HH       TRP  38   7.657 -10.191  -4.943
  Start of MODEL    5
    1   1H    LYS   1          1HT       LYS   1 -14.223  -1.541  -0.554
    2   2H    LYS   1          2HT       LYS   1 -12.861  -0.731   0.058
    3    H    LYS   1           H        LYS   1 -13.283  -1.823   0.898
    4   3H    LYS   1          3HT       LYS   1 -13.432  -2.131   0.823
    5    HA   LYS   1           HA       LYS   1 -12.843  -3.470  -1.091
    6   1HB   LYS   1          2HB       LYS   1 -11.743  -0.862  -2.171
    7   2HB   LYS   1          1HB       LYS   1 -11.652  -2.433  -2.957
    8   1HG   LYS   1          2HG       LYS   1 -14.097  -2.458  -3.160
    9   2HG   LYS   1          1HG       LYS   1 -14.165  -0.867  -2.406
   10   1HD   LYS   1          2HD       LYS   1 -12.601  -1.407  -4.921
   11   2HD   LYS   1          1HD       LYS   1 -14.300  -0.942  -4.945
   12   1HE   LYS   1          2HE       LYS   1 -13.211   1.086  -5.222
   13   2HE   LYS   1          1HE       LYS   1 -13.537   1.056  -3.492
   14   1HZ   LYS   1          1HZ       LYS   1 -11.017  -0.126  -4.112
   15   2HZ   LYS   1          2HZ       LYS   1 -11.374   1.141  -3.041
   16   3HZ   LYS   1          3HZ       LYS   1 -11.110   1.462  -4.685
   17    H    CYS   2           H        CYS   2 -10.224  -3.161  -2.005
   18    HA   CYS   2           HA       CYS   2  -8.631  -2.422   0.272
   19   1HB   CYS   2          2HB       CYS   2  -7.525  -4.556   0.550
   20   2HB   CYS   2          1HB       CYS   2  -9.248  -4.738   0.810
   21    H    LEU   3           H        LEU   3  -6.371  -2.451  -0.160
   22    HA   LEU   3           HA       LEU   3  -5.842  -1.685  -2.915
   23   1HB   LEU   3          2HB       LEU   3  -4.103  -1.498  -0.460
   24   2HB   LEU   3          1HB       LEU   3  -3.809  -0.724  -2.001
   25    HG   LEU   3           HG       LEU   3  -6.180  -0.139  -0.235
   26   1HD1  LEU   3          1HD1      LEU   3  -3.685   0.505   0.437
   27   2HD1  LEU   3          2HD1      LEU   3  -5.063   1.561   0.752
   28   3HD1  LEU   3          3HD1      LEU   3  -4.033   1.848  -0.651
   29   1HD2  LEU   3          1HD2      LEU   3  -6.480   0.260  -2.673
   30   2HD2  LEU   3          2HD2      LEU   3  -5.118   1.381  -2.613
   31   3HD2  LEU   3          3HD2      LEU   3  -6.583   1.723  -1.692
   32    H    ALA   4           H        ALA   4  -4.885  -2.994  -4.323
   33    HA   ALA   4           HA       ALA   4  -3.845  -5.546  -3.509
   34   1HB   ALA   4          1HB       ALA   4  -3.849  -4.317  -6.257
   35   2HB   ALA   4          2HB       ALA   4  -5.204  -5.201  -5.556
   36   3HB   ALA   4          3HB       ALA   4  -3.672  -6.024  -5.849
   37    H    GLU   5           H        GLU   5  -1.878  -5.909  -5.468
   38    HA   GLU   5           HA       GLU   5   0.420  -5.099  -4.059
   39   1HB   GLU   5          2HB       GLU   5   1.613  -5.972  -6.166
   40   2HB   GLU   5          1HB       GLU   5   0.672  -7.105  -5.208
   41   1HG   GLU   5          2HG       GLU   5  -0.712  -5.765  -7.455
   42   2HG   GLU   5          1HG       GLU   5   0.516  -6.963  -7.860
   43    H    ALA   6           H        ALA   6   1.570  -3.381  -4.121
   44    HA   ALA   6           HA       ALA   6   2.479  -1.385  -4.669
   45   1HB   ALA   6          1HB       ALA   6   2.632  -0.897  -7.211
   46   2HB   ALA   6          2HB       ALA   6   2.049  -2.552  -7.389
   47   3HB   ALA   6          3HB       ALA   6   3.557  -2.236  -6.530
   48    H    ALA   7           H        ALA   7  -0.240  -1.466  -3.939
   49    HA   ALA   7           HA       ALA   7  -1.479   0.557  -5.670
   50   1HB   ALA   7          1HB       ALA   7  -3.442  -0.357  -5.168
   51   2HB   ALA   7          2HB       ALA   7  -3.109  -0.297  -3.438
   52   3HB   ALA   7          3HB       ALA   7  -2.539  -1.662  -4.397
   53    H    ASP   8           H        ASP   8  -1.854   2.613  -5.024
   54    HA   ASP   8           HA       ASP   8  -0.377   3.652  -2.854
   55   1HB   ASP   8          2HB       ASP   8  -1.499   5.797  -3.388
   56   2HB   ASP   8          1HB       ASP   8  -0.813   5.016  -4.807
   57    H    CYS   9           H        CYS   9  -0.919   4.203  -0.834
   58    HA   CYS   9           HA       CYS   9  -3.420   3.143   0.189
   59   1HB   CYS   9          2HB       CYS   9  -1.242   4.409   1.831
   60   2HB   CYS   9          1HB       CYS   9  -2.454   3.245   2.342
   61    H    SER  10           H        SER  10  -4.733   4.340   1.639
   62    HA   SER  10           HA       SER  10  -5.196   7.031   0.745
   63   1HB   SER  10          2HB       SER  10  -6.575   5.478   2.943
   64   2HB   SER  10          1HB       SER  10  -7.191   6.905   2.107
   65    HG   SER  10           HG       SER  10  -6.562   5.123   0.257
   66    HA   PRO  11           HA       PRO  11  -2.730   9.079   3.762
   67   1HB   PRO  11          2HB       PRO  11  -4.672  11.287   3.649
   68   2HB   PRO  11          1HB       PRO  11  -2.962  11.267   3.208
   69   1HG   PRO  11          2HG       PRO  11  -4.909  11.394   1.357
   70   2HG   PRO  11          1HG       PRO  11  -3.390  10.534   1.071
   71   1HD   PRO  11          2HD       PRO  11  -6.082   9.442   1.745
   72   2HD   PRO  11          1HD       PRO  11  -4.851   8.810   0.631
   73    H    TRP  12           H        TRP  12  -6.158   9.925   4.340
   74    HA   TRP  12           HA       TRP  12  -5.660   9.404   7.189
   75   1HB   TRP  12          2HB       TRP  12  -7.716  11.248   5.956
   76   2HB   TRP  12          1HB       TRP  12  -7.462  10.996   7.680
   77    HD1  TRP  12           HD       TRP  12  -5.152  11.989   8.725
   78    HE1  TRP  12           1HE      TRP  12  -3.691  13.968   7.968
   79    HE3  TRP  12           3HE      TRP  12  -6.914  12.521   3.955
   80    HZ2  TRP  12           2HZ      TRP  12  -3.338  15.549   5.657
   81    HZ3  TRP  12           3HZ      TRP  12  -5.964  14.295   2.538
   82    HH2  TRP  12           HH       TRP  12  -4.215  15.778   3.374
   83    H    SER  13           H        SER  13  -7.892   8.853   4.528
   84    HA   SER  13           HA       SER  13  -8.961   6.553   5.921
   85   1HB   SER  13          2HB       SER  13 -10.789   8.837   5.129
   86   2HB   SER  13          1HB       SER  13 -11.313   7.269   5.738
   87    HG   SER  13           HG       SER  13  -9.526   8.252   7.441
   88    H    GLY  14           H        GLY  14  -9.757   5.016   4.556
   89   1HA   GLY  14          2HA       GLY  14 -10.834   5.273   2.052
   90   2HA   GLY  14          1HA       GLY  14  -9.095   5.261   1.787
   91    H    ASP  15           H        ASP  15  -9.021   3.294   0.750
   92    HA   ASP  15           HA       ASP  15 -10.138   0.949   2.053
   93   1HB   ASP  15          2HB       ASP  15  -8.681   1.328  -0.560
   94   2HB   ASP  15          1HB       ASP  15  -9.117  -0.256   0.059
   95    H    SER  16           H        SER  16  -8.960  -0.758   2.841
   96    HA   SER  16           HA       SER  16  -6.239  -0.110   3.681
   97   1HB   SER  16          2HB       SER  16  -7.975  -2.444   4.522
   98   2HB   SER  16          1HB       SER  16  -6.503  -1.875   5.310
   99    HG   SER  16           HG       SER  16  -8.365   0.095   5.033
  100    H    CYS  17           H        CYS  17  -4.523  -1.721   3.438
  101    HA   CYS  17           HA       CYS  17  -4.318  -2.752   0.843
  102   1HB   CYS  17          2HB       CYS  17  -2.777  -3.725   3.257
  103   2HB   CYS  17          1HB       CYS  17  -2.282  -3.831   1.573
  104    H    CYS  18           H        CYS  18  -4.666  -4.745  -0.046
  105    HA   CYS  18           HA       CYS  18  -6.517  -6.526   1.173
  106   1HB   CYS  18          2HB       CYS  18  -4.682  -7.086  -1.176
  107   2HB   CYS  18          1HB       CYS  18  -6.145  -7.962  -0.761
  108    H    LYS  19           H        LYS  19  -6.154  -8.612   1.960
  109    HA   LYS  19           HA       LYS  19  -3.624  -8.891   3.286
  110   1HB   LYS  19          2HB       LYS  19  -4.623 -10.862   4.318
  111   2HB   LYS  19          1HB       LYS  19  -5.679  -9.478   4.452
  112   1HG   LYS  19          2HG       LYS  19  -7.244 -10.962   3.797
  113   2HG   LYS  19          1HG       LYS  19  -6.636 -10.574   2.187
  114   1HD   LYS  19          2HD       LYS  19  -4.939 -12.505   2.686
  115   2HD   LYS  19          1HD       LYS  19  -6.150 -12.997   3.869
  116   1HE   LYS  19          2HE       LYS  19  -6.579 -14.179   1.836
  117   2HE   LYS  19          1HE       LYS  19  -7.845 -12.969   2.040
  118   1HZ   LYS  19          1HZ       LYS  19  -6.356 -13.318  -0.194
  119   2HZ   LYS  19          2HZ       LYS  19  -5.576 -12.010   0.548
  120   3HZ   LYS  19          3HZ       LYS  19  -7.228 -11.919   0.184
  121    HA   PRO  20           HA       PRO  20  -2.334  -9.912   3.983
  122   1HB   PRO  20          2HB       PRO  20  -0.107 -11.364   4.151
  123   2HB   PRO  20          1HB       PRO  20  -1.693 -12.137   4.269
  124   1HG   PRO  20          2HG       PRO  20   0.279 -12.245   2.076
  125   2HG   PRO  20          1HG       PRO  20  -1.043 -13.362   2.451
  126   1HD   PRO  20          2HD       PRO  20  -1.003 -11.134   0.559
  127   2HD   PRO  20          1HD       PRO  20  -2.229 -12.405   0.760
  128    H    TYR  21           H        TYR  21  -1.884  -8.186   1.684
  129    HA   TYR  21           HA       TYR  21   0.919  -7.714   1.346
  130   1HB   TYR  21          2HB       TYR  21  -1.380  -5.833   0.695
  131   2HB   TYR  21          1HB       TYR  21   0.275  -5.700   0.121
  132    HD1  TYR  21           1HD      TYR  21  -2.465  -8.266   0.135
  133    HD2  TYR  21           2HD      TYR  21   0.691  -6.406  -2.019
  134    HE1  TYR  21           1HE      TYR  21  -3.014  -9.631  -1.830
  135    HE2  TYR  21           2HE      TYR  21   0.149  -7.767  -3.993
  136    HH   TYR  21           HH       TYR  21  -1.907  -8.966  -4.902
  137    H    LEU  22           H        LEU  22   1.161  -4.936   1.569
  138    HA   LEU  22           HA       LEU  22   0.420  -4.022   4.166
  139   1HB   LEU  22          2HB       LEU  22   2.114  -5.663   4.823
  140   2HB   LEU  22          1HB       LEU  22   3.280  -4.899   3.762
  141    HG   LEU  22           HG       LEU  22   3.138  -2.840   5.153
  142   1HD1  LEU  22          1HD1      LEU  22   1.303  -2.645   6.413
  143   2HD1  LEU  22          2HD1      LEU  22   2.143  -3.692   7.558
  144   3HD1  LEU  22          3HD1      LEU  22   1.001  -4.383   6.405
  145   1HD2  LEU  22          1HD2      LEU  22   4.983  -4.171   5.640
  146   2HD2  LEU  22          2HD2      LEU  22   3.996  -5.455   6.337
  147   3HD2  LEU  22          3HD2      LEU  22   4.219  -3.939   7.212
  148    H    CYS  23           H        CYS  23   0.584  -1.857   4.267
  149    HA   CYS  23           HA       CYS  23   1.389  -0.421   1.939
  150   1HB   CYS  23          2HB       CYS  23  -0.518   0.233   3.423
  151   2HB   CYS  23          1HB       CYS  23   0.656   0.686   4.655
  152    H    SER  24           H        SER  24   3.294   0.493   1.485
  153    HA   SER  24           HA       SER  24   5.302   0.575   3.630
  154   1HB   SER  24          2HB       SER  24   6.992   0.454   1.799
  155   2HB   SER  24          1HB       SER  24   5.943  -0.961   1.865
  156    HG   SER  24           HG       SER  24   4.681   0.087   0.185
  157    H    CYS  25           H        CYS  25   6.079   2.467   4.229
  158    HA   CYS  25           HA       CYS  25   5.463   4.834   2.609
  159   1HB   CYS  25          2HB       CYS  25   5.949   4.552   5.583
  160   2HB   CYS  25          1HB       CYS  25   5.786   6.098   4.757
  161    H    ILE  26           H        ILE  26   7.399   3.901   1.440
  162    HA   ILE  26           HA       ILE  26   9.989   4.100   2.572
  163    HB   ILE  26           HB       ILE  26  10.766   3.985   0.173
  164   1HG1  ILE  26          2HG1      ILE  26   7.809   3.597  -0.359
  165   2HG1  ILE  26          1HG1      ILE  26   8.725   5.032  -0.808
  166   1HG2  ILE  26          1HG2      ILE  26   8.815   1.811   0.853
  167   2HG2  ILE  26          2HG2      ILE  26  10.298   2.060   1.776
  168   3HG2  ILE  26          3HG2      ILE  26  10.383   1.681   0.056
  169   1HD1  ILE  26          1HD1      ILE  26  10.041   3.786  -2.358
  170   2HD1  ILE  26          2HD1      ILE  26   8.342   3.422  -2.660
  171   3HD1  ILE  26          3HD1      ILE  26   9.352   2.263  -1.797
  172    H    PHE  27           H        PHE  27   8.884   6.477   3.222
  173    HA   PHE  27           HA       PHE  27   9.269   8.700   3.295
  174   1HB   PHE  27          2HB       PHE  27  11.733   7.784   1.836
  175   2HB   PHE  27          1HB       PHE  27  11.470   9.477   2.218
  176    HD1  PHE  27           1HD      PHE  27  12.734  10.167   3.987
  177    HD2  PHE  27           2HD      PHE  27  11.036   6.266   4.092
  178    HE1  PHE  27           1HE      PHE  27  13.693   9.813   6.224
  179    HE2  PHE  27           2HE      PHE  27  11.990   5.907   6.330
  180    HZ   PHE  27           HZ       PHE  27  13.320   7.682   7.401
  181    H    PHE  28           H        PHE  28   7.721   7.585   0.996
  182    HA   PHE  28           HA       PHE  28   7.863  10.001  -0.662
  183   1HB   PHE  28          2HB       PHE  28   7.710   7.166  -1.618
  184   2HB   PHE  28          1HB       PHE  28   7.020   8.459  -2.575
  185    HD1  PHE  28           1HD      PHE  28   8.315   9.384  -4.205
  186    HD2  PHE  28           2HD      PHE  28  10.225   7.648  -0.824
  187    HE1  PHE  28           1HE      PHE  28  10.509   9.827  -5.224
  188    HE2  PHE  28           2HE      PHE  28  12.424   8.091  -1.834
  189    HZ   PHE  28           HZ       PHE  28  12.569   9.182  -4.037
  190    H    TYR  29           H        TYR  29   6.002  10.954  -0.980
  191    HA   TYR  29           HA       TYR  29   3.609   9.802   0.217
  192   1HB   TYR  29          2HB       TYR  29   4.321  12.131   0.787
  193   2HB   TYR  29          1HB       TYR  29   4.037  12.588  -0.888
  194    HD1  TYR  29           1HD      TYR  29   2.137  10.703   1.737
  195    HD2  TYR  29           2HD      TYR  29   2.096  13.785  -1.197
  196    HE1  TYR  29           1HE      TYR  29  -0.218  11.168   2.269
  197    HE2  TYR  29           2HE      TYR  29  -0.259  14.259  -0.672
  198    HH   TYR  29           HH       TYR  29  -1.869  13.946   1.019
  199    HA   PRO  30           HA       PRO  30   1.931   9.211   0.209
  200   1HB   PRO  30          2HB       PRO  30  -0.094   7.618  -0.502
  201   2HB   PRO  30          1HB       PRO  30  -0.226   9.375  -0.628
  202   1HG   PRO  30          2HG       PRO  30   0.098   7.350  -2.760
  203   2HG   PRO  30          1HG       PRO  30  -0.645   8.956  -2.836
  204   1HD   PRO  30          2HD       PRO  30   2.003   8.199  -3.631
  205   2HD   PRO  30          1HD       PRO  30   1.274   9.816  -3.671
  206    H    CYS  31           H        CYS  31   1.399   6.932   1.134
  207    HA   CYS  31           HA       CYS  31   3.626   5.217   0.519
  208   1HB   CYS  31          2HB       CYS  31   1.317   4.698   2.407
  209   2HB   CYS  31          1HB       CYS  31   2.894   3.915   2.419
  210    H    SER  32           H        SER  32   3.225   2.813   0.107
  211    HA   SER  32           HA       SER  32   0.689   2.316  -1.257
  212   1HB   SER  32          2HB       SER  32   2.170   1.286  -3.173
  213   2HB   SER  32          1HB       SER  32   1.803   3.011  -3.156
  214    HG   SER  32           HG       SER  32   3.826   3.357  -2.156
  215    H    CYS  33           H        CYS  33  -0.024   0.273  -1.148
  216    HA   CYS  33           HA       CYS  33   1.263  -1.551   0.622
  217   1HB   CYS  33          2HB       CYS  33  -0.982  -2.265  -1.260
  218   2HB   CYS  33          1HB       CYS  33  -0.589  -2.987   0.283
  219    H    ARG  34           H        ARG  34   2.573  -3.156   0.223
  220    HA   ARG  34           HA       ARG  34   3.102  -3.940  -2.571
  221   1HB   ARG  34          2HB       ARG  34   5.064  -4.014  -0.263
  222   2HB   ARG  34          1HB       ARG  34   5.407  -4.343  -1.955
  223   1HG   ARG  34          2HG       ARG  34   4.613  -1.677  -0.808
  224   2HG   ARG  34          1HG       ARG  34   6.244  -2.166  -1.270
  225   1HD   ARG  34          2HD       ARG  34   5.615  -2.333  -3.569
  226   2HD   ARG  34          1HD       ARG  34   3.912  -2.100  -3.175
  227    HE   ARG  34           HE       ARG  34   4.272   0.145  -3.222
  228   1HH1  ARG  34          1HH1      ARG  34   7.375  -1.401  -2.676
  229   2HH1  ARG  34          2HH1      ARG  34   8.257   0.089  -2.695
  230   1HH2  ARG  34          1HH2      ARG  34   5.419   2.095  -3.227
  231   2HH2  ARG  34          2HH2      ARG  34   7.143   2.086  -3.018
  232    HA   PRO  35           HA       PRO  35   2.005  -8.073  -1.454
  233   1HB   PRO  35          2HB       PRO  35   4.477  -9.028  -2.760
  234   2HB   PRO  35          1HB       PRO  35   2.794  -9.406  -3.133
  235   1HG   PRO  35          2HG       PRO  35   4.295  -7.815  -4.709
  236   2HG   PRO  35          1HG       PRO  35   2.549  -7.586  -4.512
  237   1HD   PRO  35          2HD       PRO  35   4.809  -6.029  -3.351
  238   2HD   PRO  35          1HD       PRO  35   3.198  -5.486  -3.852
  239    H    LYS  36           H        LYS  36   2.642  -9.738   0.043
  240    HA   LYS  36           HA       LYS  36   4.577  -8.795   1.935
  241   1HB   LYS  36          2HB       LYS  36   2.409  -9.963   2.519
  242   2HB   LYS  36          1HB       LYS  36   3.161 -11.458   1.982
  243   1HG   LYS  36          2HG       LYS  36   3.198 -11.047   4.456
  244   2HG   LYS  36          1HG       LYS  36   4.761 -11.392   3.718
  245   1HD   LYS  36          2HD       LYS  36   4.830  -9.545   5.381
  246   2HD   LYS  36          1HD       LYS  36   5.366  -9.065   3.772
  247   1HE   LYS  36          2HE       LYS  36   3.950  -7.353   4.767
  248   2HE   LYS  36          1HE       LYS  36   3.186  -8.050   3.342
  249   1HZ   LYS  36          1HZ       LYS  36   2.504  -9.296   5.872
  250   2HZ   LYS  36          2HZ       LYS  36   1.518  -8.913   4.547
  251   3HZ   LYS  36          3HZ       LYS  36   1.942  -7.713   5.663
  252    H    GLY  37           H        GLY  37   6.620  -9.148   1.882
  253   1HA   GLY  37          2HA       GLY  37   8.226 -11.199   1.833
  254   2HA   GLY  37          1HA       GLY  37   7.716 -11.231   0.144
  255    H    TRP  38           H        TRP  38   7.385  -8.317   0.142
  256    HA   TRP  38           HA       TRP  38  10.198  -7.564  -0.188
  257   1HB   TRP  38          2HB       TRP  38   7.671  -6.416  -1.405
  258   2HB   TRP  38          1HB       TRP  38   9.265  -5.700  -1.602
  259    HD1  TRP  38           HD       TRP  38  10.709  -6.576  -3.542
  260    HE1  TRP  38           1HE      TRP  38  10.475  -8.457  -5.281
  261    HE3  TRP  38           3HE      TRP  38   6.593  -8.938  -1.639
  262    HZ2  TRP  38           2HZ      TRP  38   8.768 -10.649  -5.786
  263    HZ3  TRP  38           3HZ      TRP  38   5.721 -10.917  -2.812
  264    HH2  TRP  38           HH       TRP  38   6.786 -11.752  -4.844
  Start of MODEL    6
    1   1H    LYS   1          1HT       LYS   1 -14.432  -2.378  -0.406
    2   2H    LYS   1          2HT       LYS   1 -13.208  -1.247  -0.073
    3    H    LYS   1           H        LYS   1 -13.080  -1.548   0.526
    4   3H    LYS   1          3HT       LYS   1 -13.373  -2.629   0.892
    5    HA   LYS   1           HA       LYS   1 -12.874  -3.996  -1.128
    6   1HB   LYS   1          2HB       LYS   1 -11.938  -1.301  -2.144
    7   2HB   LYS   1          1HB       LYS   1 -11.839  -2.836  -2.993
    8   1HG   LYS   1          2HG       LYS   1 -14.196  -2.912  -3.297
    9   2HG   LYS   1          1HG       LYS   1 -14.438  -1.539  -2.217
   10   1HD   LYS   1          2HD       LYS   1 -12.752  -1.234  -4.672
   11   2HD   LYS   1          1HD       LYS   1 -14.509  -1.193  -4.803
   12   1HE   LYS   1          2HE       LYS   1 -13.839   1.056  -4.591
   13   2HE   LYS   1          1HE       LYS   1 -14.464   0.601  -3.010
   14   1HZ   LYS   1          1HZ       LYS   1 -12.340   0.556  -2.094
   15   2HZ   LYS   1          2HZ       LYS   1 -12.285   1.901  -3.117
   16   3HZ   LYS   1          3HZ       LYS   1 -11.575   0.447  -3.602
   17    H    CYS   2           H        CYS   2 -10.299  -3.545  -2.029
   18    HA   CYS   2           HA       CYS   2  -8.733  -2.641   0.200
   19   1HB   CYS   2          2HB       CYS   2  -7.502  -4.716   0.533
   20   2HB   CYS   2          1HB       CYS   2  -9.202  -4.931   0.893
   21    H    LEU   3           H        LEU   3  -6.532  -2.451  -0.256
   22    HA   LEU   3           HA       LEU   3  -6.048  -1.806  -3.027
   23   1HB   LEU   3          2HB       LEU   3  -4.285  -1.536  -0.596
   24   2HB   LEU   3          1HB       LEU   3  -3.974  -0.836  -2.167
   25    HG   LEU   3           HG       LEU   3  -6.315  -0.138  -0.400
   26   1HD1  LEU   3          1HD1      LEU   3  -3.981   1.623  -1.064
   27   2HD1  LEU   3          2HD1      LEU   3  -3.985   0.570   0.350
   28   3HD1  LEU   3          3HD1      LEU   3  -5.205   1.834   0.188
   29   1HD2  LEU   3          1HD2      LEU   3  -7.062   1.285  -2.010
   30   2HD2  LEU   3          2HD2      LEU   3  -6.342   0.054  -3.047
   31   3HD2  LEU   3          3HD2      LEU   3  -5.456   1.537  -2.693
   32    H    ALA   4           H        ALA   4  -4.930  -2.995  -4.445
   33    HA   ALA   4           HA       ALA   4  -4.025  -5.615  -3.706
   34   1HB   ALA   4          1HB       ALA   4  -3.835  -4.197  -6.358
   35   2HB   ALA   4          2HB       ALA   4  -5.206  -5.163  -5.811
   36   3HB   ALA   4          3HB       ALA   4  -3.638  -5.927  -6.074
   37    H    GLU   5           H        GLU   5  -1.906  -5.998  -5.471
   38    HA   GLU   5           HA       GLU   5   0.272  -5.170  -3.844
   39   1HB   GLU   5          2HB       GLU   5   1.656  -6.209  -5.754
   40   2HB   GLU   5          1HB       GLU   5   0.620  -7.260  -4.804
   41   1HG   GLU   5          2HG       GLU   5  -0.366  -6.084  -7.367
   42   2HG   GLU   5          1HG       GLU   5   0.676  -7.507  -7.371
   43    H    ALA   6           H        ALA   6   1.550  -3.530  -3.981
   44    HA   ALA   6           HA       ALA   6   2.540  -1.595  -4.611
   45   1HB   ALA   6          1HB       ALA   6   2.460  -1.371  -7.334
   46   2HB   ALA   6          2HB       ALA   6   2.341  -3.116  -7.106
   47   3HB   ALA   6          3HB       ALA   6   3.704  -2.228  -6.423
   48    H    ALA   7           H        ALA   7  -0.143  -1.526  -3.889
   49    HA   ALA   7           HA       ALA   7  -1.312   0.433  -5.754
   50   1HB   ALA   7          1HB       ALA   7  -3.414   0.063  -4.428
   51   2HB   ALA   7          2HB       ALA   7  -2.564  -1.228  -3.580
   52   3HB   ALA   7          3HB       ALA   7  -2.826  -1.340  -5.320
   53    H    ASP   8           H        ASP   8  -1.651   2.522  -5.181
   54    HA   ASP   8           HA       ASP   8  -0.271   3.555  -2.936
   55   1HB   ASP   8          2HB       ASP   8  -1.180   5.733  -3.607
   56   2HB   ASP   8          1HB       ASP   8  -0.533   4.857  -4.988
   57    H    CYS   9           H        CYS   9  -0.965   4.312  -1.003
   58    HA   CYS   9           HA       CYS   9  -3.646   3.455  -0.188
   59   1HB   CYS   9          2HB       CYS   9  -1.598   4.393   1.771
   60   2HB   CYS   9          1HB       CYS   9  -2.849   3.174   1.963
   61    H    SER  10           H        SER  10  -4.995   4.834   0.981
   62    HA   SER  10           HA       SER  10  -4.769   7.611   0.261
   63   1HB   SER  10          2HB       SER  10  -6.839   6.300   2.033
   64   2HB   SER  10          1HB       SER  10  -6.988   7.829   1.168
   65    HG   SER  10           HG       SER  10  -6.371   6.031  -0.641
   66    HA   PRO  11           HA       PRO  11  -2.517   8.809   3.883
   67   1HB   PRO  11          2HB       PRO  11  -3.066  11.490   3.751
   68   2HB   PRO  11          1HB       PRO  11  -1.853  10.675   2.758
   69   1HG   PRO  11          2HG       PRO  11  -4.671  11.423   2.070
   70   2HG   PRO  11          1HG       PRO  11  -3.202  11.597   1.098
   71   1HD   PRO  11          2HD       PRO  11  -4.917   9.594   0.670
   72   2HD   PRO  11          1HD       PRO  11  -3.162   9.352   0.520
   73    H    TRP  12           H        TRP  12  -5.642  10.544   3.556
   74    HA   TRP  12           HA       TRP  12  -5.878  10.741   6.411
   75   1HB   TRP  12          2HB       TRP  12  -7.819  11.469   4.211
   76   2HB   TRP  12          1HB       TRP  12  -8.085  11.794   5.921
   77    HD1  TRP  12           HD       TRP  12  -6.397  13.606   7.080
   78    HE1  TRP  12           1HE      TRP  12  -5.185  15.631   6.055
   79    HE3  TRP  12           3HE      TRP  12  -6.747  12.349   2.136
   80    HZ2  TRP  12           2HZ      TRP  12  -4.480  16.576   3.493
   81    HZ3  TRP  12           3HZ      TRP  12  -5.783  13.873   0.462
   82    HH2  TRP  12           HH       TRP  12  -4.673  15.943   1.128
   83    H    SER  13           H        SER  13  -7.700   9.033   3.877
   84    HA   SER  13           HA       SER  13  -8.165   6.774   5.524
   85   1HB   SER  13          2HB       SER  13 -10.670   7.046   5.673
   86   2HB   SER  13          1HB       SER  13  -9.755   8.161   6.689
   87    HG   SER  13           HG       SER  13 -10.461   8.949   4.092
   88    H    GLY  14           H        GLY  14  -8.871   5.048   4.339
   89   1HA   GLY  14          2HA       GLY  14 -10.353   5.199   1.949
   90   2HA   GLY  14          1HA       GLY  14  -8.640   5.102   1.558
   91    H    ASP  15           H        ASP  15  -9.412   3.043   0.542
   92    HA   ASP  15           HA       ASP  15 -10.256   0.885   2.184
   93   1HB   ASP  15          2HB       ASP  15  -8.979   0.855  -0.556
   94   2HB   ASP  15          1HB       ASP  15  -9.666  -0.555   0.235
   95    H    SER  16           H        SER  16  -9.123  -0.778   3.075
   96    HA   SER  16           HA       SER  16  -6.356  -0.255   3.698
   97   1HB   SER  16          2HB       SER  16  -8.069  -2.616   4.494
   98   2HB   SER  16          1HB       SER  16  -6.556  -2.108   5.241
   99    HG   SER  16           HG       SER  16  -8.348  -0.079   5.175
  100    H    CYS  17           H        CYS  17  -4.642  -1.764   3.312
  101    HA   CYS  17           HA       CYS  17  -4.574  -2.802   0.698
  102   1HB   CYS  17          2HB       CYS  17  -2.751  -3.636   2.957
  103   2HB   CYS  17          1HB       CYS  17  -2.392  -3.621   1.234
  104    H    CYS  18           H        CYS  18  -4.862  -4.829  -0.119
  105    HA   CYS  18           HA       CYS  18  -6.442  -6.735   1.260
  106   1HB   CYS  18          2HB       CYS  18  -4.666  -7.268  -1.139
  107   2HB   CYS  18          1HB       CYS  18  -6.079  -8.185  -0.648
  108    H    LYS  19           H        LYS  19  -5.826  -8.711   2.183
  109    HA   LYS  19           HA       LYS  19  -3.151  -8.646   3.248
  110   1HB   LYS  19          2HB       LYS  19  -5.211 -10.790   3.703
  111   2HB   LYS  19          1HB       LYS  19  -3.824 -10.405   4.690
  112   1HG   LYS  19          2HG       LYS  19  -6.280  -8.716   4.326
  113   2HG   LYS  19          1HG       LYS  19  -5.786  -9.585   5.783
  114   1HD   LYS  19          2HD       LYS  19  -3.876  -8.166   6.060
  115   2HD   LYS  19          1HD       LYS  19  -4.154  -7.402   4.494
  116   1HE   LYS  19          2HE       LYS  19  -6.366  -6.613   5.400
  117   2HE   LYS  19          1HE       LYS  19  -5.831  -7.177   6.983
  118   1HZ   LYS  19          1HZ       LYS  19  -4.663  -5.023   5.323
  119   2HZ   LYS  19          2HZ       LYS  19  -3.828  -5.711   6.626
  120   3HZ   LYS  19          3HZ       LYS  19  -5.295  -4.910   6.891
  121    HA   PRO  20           HA       PRO  20  -1.919  -9.836   4.126
  122   1HB   PRO  20          2HB       PRO  20   0.493 -10.994   4.174
  123   2HB   PRO  20          1HB       PRO  20  -0.982 -11.934   4.417
  124   1HG   PRO  20          2HG       PRO  20   0.821 -11.837   2.076
  125   2HG   PRO  20          1HG       PRO  20  -0.262 -13.132   2.607
  126   1HD   PRO  20          2HD       PRO  20  -0.731 -11.128   0.589
  127   2HD   PRO  20          1HD       PRO  20  -1.808 -12.444   1.100
  128    H    TYR  21           H        TYR  21  -1.690  -8.221   1.621
  129    HA   TYR  21           HA       TYR  21   1.028  -7.261   1.523
  130   1HB   TYR  21          2HB       TYR  21  -1.411  -5.911   0.330
  131   2HB   TYR  21          1HB       TYR  21   0.274  -5.669  -0.110
  132    HD1  TYR  21           1HD      TYR  21   1.226  -6.890  -1.840
  133    HD2  TYR  21           2HD      TYR  21  -2.399  -8.274  -0.101
  134    HE1  TYR  21           1HE      TYR  21   1.045  -8.604  -3.591
  135    HE2  TYR  21           2HE      TYR  21  -2.587  -9.995  -1.846
  136    HH   TYR  21           HH       TYR  21  -1.016  -9.931  -4.666
  137    H    LEU  22           H        LEU  22   1.801  -5.276   2.200
  138    HA   LEU  22           HA       LEU  22   0.130  -3.873   4.179
  139   1HB   LEU  22          2HB       LEU  22   1.756  -5.285   5.309
  140   2HB   LEU  22          1HB       LEU  22   3.057  -4.579   4.372
  141    HG   LEU  22           HG       LEU  22   2.579  -2.383   5.465
  142   1HD1  LEU  22          1HD1      LEU  22   0.270  -3.781   6.358
  143   2HD1  LEU  22          2HD1      LEU  22   0.701  -2.089   6.599
  144   3HD1  LEU  22          3HD1      LEU  22   1.219  -3.306   7.766
  145   1HD2  LEU  22          1HD2      LEU  22   3.821  -4.703   6.554
  146   2HD2  LEU  22          2HD2      LEU  22   3.093  -3.778   7.867
  147   3HD2  LEU  22          3HD2      LEU  22   4.249  -3.008   6.781
  148    H    CYS  23           H        CYS  23   0.293  -1.662   4.248
  149    HA   CYS  23           HA       CYS  23   1.234  -0.347   1.903
  150   1HB   CYS  23          2HB       CYS  23  -0.785   0.363   3.192
  151   2HB   CYS  23          1HB       CYS  23   0.283   0.898   4.486
  152    H    SER  24           H        SER  24   3.174   0.496   1.522
  153    HA   SER  24           HA       SER  24   5.049   0.685   3.765
  154   1HB   SER  24          2HB       SER  24   6.818   0.639   2.007
  155   2HB   SER  24          1HB       SER  24   5.798  -0.799   2.000
  156    HG   SER  24           HG       SER  24   4.568   0.320   0.304
  157    H    CYS  25           H        CYS  25   5.826   2.573   4.403
  158    HA   CYS  25           HA       CYS  25   5.274   4.952   2.766
  159   1HB   CYS  25          2HB       CYS  25   5.399   4.646   5.773
  160   2HB   CYS  25          1HB       CYS  25   5.365   6.206   4.958
  161    H    ILE  26           H        ILE  26   7.357   4.067   1.817
  162    HA   ILE  26           HA       ILE  26   9.785   4.314   3.270
  163    HB   ILE  26           HB       ILE  26  10.907   4.137   1.066
  164   1HG1  ILE  26          2HG1      ILE  26   8.952   5.275  -0.173
  165   2HG1  ILE  26          1HG1      ILE  26   9.752   3.930  -0.967
  166   1HG2  ILE  26          1HG2      ILE  26   9.713   1.838   0.553
  167   2HG2  ILE  26          2HG2      ILE  26   8.938   2.186   2.099
  168   3HG2  ILE  26          3HG2      ILE  26  10.696   2.087   1.996
  169   1HD1  ILE  26          1HD1      ILE  26   7.914   2.624  -0.894
  170   2HD1  ILE  26          2HD1      ILE  26   7.102   4.187  -0.818
  171   3HD1  ILE  26          3HD1      ILE  26   7.381   3.267   0.660
  172    H    PHE  27           H        PHE  27   8.452   6.677   3.662
  173    HA   PHE  27           HA       PHE  27   8.769   8.911   3.756
  174   1HB   PHE  27          2HB       PHE  27  11.461   8.019   2.774
  175   2HB   PHE  27          1HB       PHE  27  11.102   9.723   2.992
  176    HD1  PHE  27           1HD      PHE  27  10.366   6.645   4.985
  177    HD2  PHE  27           2HD      PHE  27  12.082  10.539   4.890
  178    HE1  PHE  27           1HE      PHE  27  10.917   6.457   7.375
  179    HE2  PHE  27           2HE      PHE  27  12.637  10.356   7.280
  180    HZ   PHE  27           HZ       PHE  27  12.054   8.314   8.526
  181    H    PHE  28           H        PHE  28   7.731   7.622   1.240
  182    HA   PHE  28           HA       PHE  28   8.066   9.983  -0.479
  183   1HB   PHE  28          2HB       PHE  28   8.002   7.092  -1.269
  184   2HB   PHE  28          1HB       PHE  28   7.468   8.327  -2.390
  185    HD1  PHE  28           1HD      PHE  28  10.381   7.983  -0.059
  186    HD2  PHE  28           2HD      PHE  28   9.004   8.752  -4.009
  187    HE1  PHE  28           1HE      PHE  28  12.700   8.346  -0.792
  188    HE2  PHE  28           2HE      PHE  28  11.322   9.115  -4.751
  189    HZ   PHE  28           HZ       PHE  28  13.173   8.912  -3.142
  190    H    TYR  29           H        TYR  29   6.264  10.913  -1.118
  191    HA   TYR  29           HA       TYR  29   3.738   9.842  -0.145
  192   1HB   TYR  29          2HB       TYR  29   4.367  12.217   0.316
  193   2HB   TYR  29          1HB       TYR  29   4.302  12.533  -1.415
  194    HD1  TYR  29           1HD      TYR  29   2.403  13.631  -2.110
  195    HD2  TYR  29           2HD      TYR  29   2.096  10.892   1.131
  196    HE1  TYR  29           1HE      TYR  29  -0.002  14.120  -1.931
  197    HE2  TYR  29           2HE      TYR  29  -0.308  11.371   1.317
  198    HH   TYR  29           HH       TYR  29  -1.834  13.893  -0.605
  199    HA   PRO  30           HA       PRO  30   2.071   9.275  -0.302
  200   1HB   PRO  30          2HB       PRO  30   0.073   7.706  -1.119
  201   2HB   PRO  30          1HB       PRO  30   0.041   9.448  -1.412
  202   1HG   PRO  30          2HG       PRO  30   0.507   7.230  -3.309
  203   2HG   PRO  30          1HG       PRO  30  -0.122   8.857  -3.612
  204   1HD   PRO  30          2HD       PRO  30   2.562   7.893  -3.977
  205   2HD   PRO  30          1HD       PRO  30   1.931   9.522  -4.290
  206    H    CYS  31           H        CYS  31   1.327   7.104   0.732
  207    HA   CYS  31           HA       CYS  31   3.520   5.248   0.520
  208   1HB   CYS  31          2HB       CYS  31   0.987   5.079   2.175
  209   2HB   CYS  31          1HB       CYS  31   2.419   4.079   2.373
  210    H    SER  32           H        SER  32   3.121   2.881   0.143
  211    HA   SER  32           HA       SER  32   0.678   2.323  -1.353
  212   1HB   SER  32          2HB       SER  32   2.198   1.296  -3.193
  213   2HB   SER  32          1HB       SER  32   1.942   3.041  -3.174
  214    HG   SER  32           HG       SER  32   3.941   3.201  -1.998
  215    H    CYS  33           H        CYS  33  -0.025   0.292  -1.196
  216    HA   CYS  33           HA       CYS  33   1.154  -1.494   0.663
  217   1HB   CYS  33          2HB       CYS  33  -0.922  -2.290  -1.365
  218   2HB   CYS  33          1HB       CYS  33  -0.681  -2.911   0.258
  219    H    ARG  34           H        ARG  34   2.537  -3.043   0.399
  220    HA   ARG  34           HA       ARG  34   3.230  -3.961  -2.317
  221   1HB   ARG  34          2HB       ARG  34   5.150  -3.564  -0.004
  222   2HB   ARG  34          1HB       ARG  34   5.564  -4.068  -1.636
  223   1HG   ARG  34          2HG       ARG  34   4.352  -1.399  -0.973
  224   2HG   ARG  34          1HG       ARG  34   6.087  -1.691  -1.092
  225   1HD   ARG  34          2HD       ARG  34   5.922  -2.240  -3.394
  226   2HD   ARG  34          1HD       ARG  34   4.161  -2.306  -3.319
  227    HE   ARG  34           HE       ARG  34   4.798   0.251  -2.573
  228   1HH1  ARG  34          1HH1      ARG  34   5.497  -1.729  -5.373
  229   2HH1  ARG  34          2HH1      ARG  34   5.463  -0.401  -6.482
  230   1HH2  ARG  34          1HH2      ARG  34   4.736   2.002  -4.020
  231   2HH2  ARG  34          2HH2      ARG  34   5.033   1.733  -5.711
  232    HA   PRO  35           HA       PRO  35   2.546  -8.094  -0.926
  233   1HB   PRO  35          2HB       PRO  35   5.258  -8.772  -1.930
  234   2HB   PRO  35          1HB       PRO  35   3.697  -9.495  -2.329
  235   1HG   PRO  35          2HG       PRO  35   4.958  -7.866  -4.038
  236   2HG   PRO  35          1HG       PRO  35   3.191  -7.868  -3.888
  237   1HD   PRO  35          2HD       PRO  35   5.177  -5.892  -2.872
  238   2HD   PRO  35          1HD       PRO  35   3.523  -5.638  -3.456
  239    H    LYS  36           H        LYS  36   3.076  -9.465   0.789
  240    HA   LYS  36           HA       LYS  36   4.771  -8.312   2.799
  241   1HB   LYS  36          2HB       LYS  36   2.599  -9.474   3.280
  242   2HB   LYS  36          1HB       LYS  36   3.374 -10.992   2.849
  243   1HG   LYS  36          2HG       LYS  36   5.108 -10.355   4.656
  244   2HG   LYS  36          1HG       LYS  36   3.870  -9.228   5.212
  245   1HD   LYS  36          2HD       LYS  36   3.716 -11.327   6.429
  246   2HD   LYS  36          1HD       LYS  36   2.284 -11.093   5.423
  247   1HE   LYS  36          2HE       LYS  36   3.173 -13.408   5.351
  248   2HE   LYS  36          1HE       LYS  36   3.128 -12.626   3.772
  249   1HZ   LYS  36          1HZ       LYS  36   5.215 -13.909   4.375
  250   2HZ   LYS  36          2HZ       LYS  36   5.578 -12.637   5.429
  251   3HZ   LYS  36          3HZ       LYS  36   5.434 -12.341   3.766
  252    H    GLY  37           H        GLY  37   6.629  -8.501   1.246
  253   1HA   GLY  37          2HA       GLY  37   8.735  -9.840   1.971
  254   2HA   GLY  37          1HA       GLY  37   7.860 -11.166   1.213
  255    H    TRP  38           H        TRP  38   6.875  -8.651  -0.495
  256    HA   TRP  38           HA       TRP  38   7.305  -7.715  -2.494
  257   1HB   TRP  38          2HB       TRP  38  10.090  -8.127  -1.492
  258   2HB   TRP  38          1HB       TRP  38   9.861  -7.720  -3.188
  259    HD1  TRP  38           HD       TRP  38  10.092  -5.233  -3.609
  260    HE1  TRP  38           1HE      TRP  38   9.626  -3.066  -2.306
  261    HE3  TRP  38           3HE      TRP  38   8.235  -7.250   0.715
  262    HZ2  TRP  38           2HZ      TRP  38   8.611  -2.306   0.210
  263    HZ3  TRP  38           3HZ      TRP  38   7.543  -5.729   2.520
  264    HH2  TRP  38           HH       TRP  38   7.728  -3.308   2.272
  Start of MODEL    7
    1   1H    LYS   1          1HT       LYS   1 -14.315  -1.574   0.300
    2   2H    LYS   1          2HT       LYS   1 -12.869  -0.912   0.890
    3    H    LYS   1           H        LYS   1 -13.097  -0.844   0.818
    4   3H    LYS   1          3HT       LYS   1 -13.597  -2.214   1.689
    5    HA   LYS   1           HA       LYS   1 -13.068  -3.732   0.009
    6   1HB   LYS   1          2HB       LYS   1 -11.761  -2.568  -2.030
    7   2HB   LYS   1          1HB       LYS   1 -13.498  -2.829  -2.038
    8   1HG   LYS   1          2HG       LYS   1 -13.909  -0.557  -1.412
    9   2HG   LYS   1          1HG       LYS   1 -12.190  -0.269  -1.145
   10   1HD   LYS   1          2HD       LYS   1 -13.287  -1.096  -3.820
   11   2HD   LYS   1          1HD       LYS   1 -13.186   0.593  -3.326
   12   1HE   LYS   1          2HE       LYS   1 -10.833  -1.292  -3.357
   13   2HE   LYS   1          1HE       LYS   1 -11.256  -0.234  -4.702
   14   1HZ   LYS   1          1HZ       LYS   1 -10.985   1.017  -2.067
   15   2HZ   LYS   1          2HZ       LYS   1 -10.551   1.599  -3.600
   16   3HZ   LYS   1          3HZ       LYS   1  -9.561   0.477  -2.814
   17    H    CYS   2           H        CYS   2 -10.610  -3.710  -1.271
   18    HA   CYS   2           HA       CYS   2  -8.752  -2.764   0.768
   19   1HB   CYS   2          2HB       CYS   2  -7.580  -4.883   0.877
   20   2HB   CYS   2          1HB       CYS   2  -9.261  -5.102   1.328
   21    H    LEU   3           H        LEU   3  -6.493  -2.895   0.076
   22    HA   LEU   3           HA       LEU   3  -6.295  -2.112  -2.738
   23   1HB   LEU   3          2HB       LEU   3  -4.451  -1.626  -0.405
   24   2HB   LEU   3          1HB       LEU   3  -4.234  -0.988  -2.018
   25    HG   LEU   3           HG       LEU   3  -6.585  -0.357  -0.241
   26   1HD1  LEU   3          1HD1      LEU   3  -4.371   0.490   0.569
   27   2HD1  LEU   3          2HD1      LEU   3  -5.574   1.732   0.225
   28   3HD1  LEU   3          3HD1      LEU   3  -4.266   1.429  -0.919
   29   1HD2  LEU   3          1HD2      LEU   3  -6.883  -0.235  -2.756
   30   2HD2  LEU   3          2HD2      LEU   3  -5.698   1.072  -2.736
   31   3HD2  LEU   3          3HD2      LEU   3  -7.217   1.245  -1.857
   32    H    ALA   4           H        ALA   4  -5.211  -3.340  -4.170
   33    HA   ALA   4           HA       ALA   4  -4.015  -5.807  -3.319
   34   1HB   ALA   4          1HB       ALA   4  -5.201  -4.839  -5.667
   35   2HB   ALA   4          2HB       ALA   4  -4.594  -6.464  -5.351
   36   3HB   ALA   4          3HB       ALA   4  -3.538  -5.256  -6.084
   37    H    GLU   5           H        GLU   5  -2.041  -6.118  -5.265
   38    HA   GLU   5           HA       GLU   5   0.209  -5.142  -3.892
   39   1HB   GLU   5          2HB       GLU   5   1.508  -6.126  -5.781
   40   2HB   GLU   5          1HB       GLU   5   0.378  -7.237  -5.026
   41   1HG   GLU   5          2HG       GLU   5  -0.360  -5.731  -7.506
   42   2HG   GLU   5          1HG       GLU   5   0.582  -7.215  -7.585
   43    H    ALA   6           H        ALA   6   1.373  -3.432  -4.085
   44    HA   ALA   6           HA       ALA   6   2.183  -1.414  -4.711
   45   1HB   ALA   6          1HB       ALA   6   3.258  -1.732  -6.625
   46   2HB   ALA   6          2HB       ALA   6   1.789  -1.267  -7.482
   47   3HB   ALA   6          3HB       ALA   6   2.099  -2.965  -7.123
   48    H    ALA   7           H        ALA   7  -0.443  -1.473  -3.820
   49    HA   ALA   7           HA       ALA   7  -1.814   0.437  -5.590
   50   1HB   ALA   7          1HB       ALA   7  -2.732  -1.683  -3.827
   51   2HB   ALA   7          2HB       ALA   7  -3.542  -0.907  -5.187
   52   3HB   ALA   7          3HB       ALA   7  -3.600  -0.167  -3.587
   53    H    ASP   8           H        ASP   8  -2.126   2.502  -5.022
   54    HA   ASP   8           HA       ASP   8  -0.697   3.717  -2.952
   55   1HB   ASP   8          2HB       ASP   8  -1.460   4.931  -4.946
   56   2HB   ASP   8          1HB       ASP   8  -3.134   4.733  -4.443
   57    H    CYS   9           H        CYS   9  -1.153   4.203  -0.859
   58    HA   CYS   9           HA       CYS   9  -3.866   3.597   0.082
   59   1HB   CYS   9          2HB       CYS   9  -2.534   2.978   2.293
   60   2HB   CYS   9          1HB       CYS   9  -2.903   1.801   1.046
   61    H    SER  10           H        SER  10  -4.751   4.879   1.475
   62    HA   SER  10           HA       SER  10  -3.445   7.418   2.033
   63   1HB   SER  10          2HB       SER  10  -6.282   6.533   2.621
   64   2HB   SER  10          1HB       SER  10  -5.660   8.183   2.686
   65    HG   SER  10           HG       SER  10  -5.102   7.117   0.290
   66    HA   PRO  11           HA       PRO  11  -2.111   6.442   6.099
   67   1HB   PRO  11          2HB       PRO  11  -2.709   8.910   7.267
   68   2HB   PRO  11          1HB       PRO  11  -1.206   8.483   6.447
   69   1HG   PRO  11          2HG       PRO  11  -3.570   9.978   5.419
   70   2HG   PRO  11          1HG       PRO  11  -1.852  10.211   5.066
   71   1HD   PRO  11          2HD       PRO  11  -3.488   9.032   3.312
   72   2HD   PRO  11          1HD       PRO  11  -1.805   8.502   3.512
   73    H    TRP  12           H        TRP  12  -5.279   8.060   5.817
   74    HA   TRP  12           HA       TRP  12  -6.228   6.307   7.973
   75   1HB   TRP  12          2HB       TRP  12  -6.917   9.248   7.767
   76   2HB   TRP  12          1HB       TRP  12  -7.540   8.121   8.965
   77    HD1  TRP  12           HD       TRP  12  -5.725   7.211  10.814
   78    HE1  TRP  12           1HE      TRP  12  -3.658   8.383  11.802
   79    HE3  TRP  12           3HE      TRP  12  -5.084  10.852   7.280
   80    HZ2  TRP  12           2HZ      TRP  12  -1.983  10.565  11.173
   81    HZ3  TRP  12           3HZ      TRP  12  -3.230  12.446   7.553
   82    HH2  TRP  12           HH       TRP  12  -1.713  12.304   9.460
   83    H    SER  13           H        SER  13  -7.462   8.799   5.743
   84    HA   SER  13           HA       SER  13  -9.962   7.453   5.416
   85   1HB   SER  13          2HB       SER  13  -8.862   9.712   3.738
   86   2HB   SER  13          1HB       SER  13 -10.555   9.284   3.992
   87    HG   SER  13           HG       SER  13 -10.466  10.638   5.588
   88    H    GLY  14           H        GLY  14  -8.696   5.398   4.722
   89   1HA   GLY  14          2HA       GLY  14  -9.067   5.145   1.875
   90   2HA   GLY  14          1HA       GLY  14  -7.383   5.036   2.366
   91    H    ASP  15           H        ASP  15  -9.049   3.026   1.130
   92    HA   ASP  15           HA       ASP  15  -9.955   1.058   2.905
   93   1HB   ASP  15          2HB       ASP  15  -8.911   0.914   0.083
   94   2HB   ASP  15          1HB       ASP  15  -9.438  -0.522   0.943
   95    H    SER  16           H        SER  16  -8.993  -0.838   3.663
   96    HA   SER  16           HA       SER  16  -6.188  -0.606   4.277
   97   1HB   SER  16          2HB       SER  16  -7.996  -2.951   4.865
   98   2HB   SER  16          1HB       SER  16  -6.519  -2.491   5.708
   99    HG   SER  16           HG       SER  16  -8.100  -0.404   5.822
  100    H    CYS  17           H        CYS  17  -4.571  -2.051   3.609
  101    HA   CYS  17           HA       CYS  17  -4.734  -2.930   0.937
  102   1HB   CYS  17          2HB       CYS  17  -2.723  -3.909   2.965
  103   2HB   CYS  17          1HB       CYS  17  -2.516  -3.746   1.226
  104    H    CYS  18           H        CYS  18  -5.027  -4.935   0.043
  105    HA   CYS  18           HA       CYS  18  -6.544  -6.894   1.412
  106   1HB   CYS  18          2HB       CYS  18  -4.896  -7.315  -1.097
  107   2HB   CYS  18          1HB       CYS  18  -6.286  -8.251  -0.577
  108    H    LYS  19           H        LYS  19  -5.885  -8.853   2.282
  109    HA   LYS  19           HA       LYS  19  -3.148  -8.854   3.155
  110   1HB   LYS  19          2HB       LYS  19  -5.230 -10.969   3.664
  111   2HB   LYS  19          1HB       LYS  19  -3.750 -10.696   4.550
  112   1HG   LYS  19          2HG       LYS  19  -6.102  -8.827   4.457
  113   2HG   LYS  19          1HG       LYS  19  -5.650  -9.873   5.806
  114   1HD   LYS  19          2HD       LYS  19  -3.611  -8.658   6.149
  115   2HD   LYS  19          1HD       LYS  19  -3.859  -7.726   4.672
  116   1HE   LYS  19          2HE       LYS  19  -4.418  -6.383   6.608
  117   2HE   LYS  19          1HE       LYS  19  -5.869  -6.720   5.667
  118   1HZ   LYS  19          1HZ       LYS  19  -6.725  -8.040   7.286
  119   2HZ   LYS  19          2HZ       LYS  19  -5.810  -7.008   8.264
  120   3HZ   LYS  19          3HZ       LYS  19  -5.213  -8.538   7.861
  121    HA   PRO  20           HA       PRO  20  -1.894 -10.126   3.918
  122   1HB   PRO  20          2HB       PRO  20   0.503 -11.301   3.775
  123   2HB   PRO  20          1HB       PRO  20  -0.969 -12.243   4.037
  124   1HG   PRO  20          2HG       PRO  20   0.709 -12.003   1.608
  125   2HG   PRO  20          1HG       PRO  20  -0.330 -13.338   2.131
  126   1HD   PRO  20          2HD       PRO  20  -0.936 -11.251   0.250
  127   2HD   PRO  20          1HD       PRO  20  -1.984 -12.582   0.781
  128    H    TYR  21           H        TYR  21  -1.759  -8.399   1.446
  129    HA   TYR  21           HA       TYR  21   0.951  -7.423   1.310
  130   1HB   TYR  21          2HB       TYR  21  -1.515  -5.971   0.314
  131   2HB   TYR  21          1HB       TYR  21   0.152  -5.731  -0.181
  132    HD1  TYR  21           1HD      TYR  21  -2.651  -8.171  -0.328
  133    HD2  TYR  21           2HD      TYR  21   1.079  -6.939  -1.953
  134    HE1  TYR  21           1HE      TYR  21  -2.957  -9.737  -2.197
  135    HE2  TYR  21           2HE      TYR  21   0.785  -8.501  -3.825
  136    HH   TYR  21           HH       TYR  21  -1.570  -9.569  -4.955
  137    H    LEU  22           H        LEU  22   1.510  -5.148   1.806
  138    HA   LEU  22           HA       LEU  22  -0.060  -4.009   3.999
  139   1HB   LEU  22          2HB       LEU  22   1.589  -5.468   5.045
  140   2HB   LEU  22          1HB       LEU  22   2.878  -4.675   4.162
  141    HG   LEU  22           HG       LEU  22   2.357  -2.566   5.382
  142   1HD1  LEU  22          1HD1      LEU  22   0.162  -2.670   6.076
  143   2HD1  LEU  22          2HD1      LEU  22   1.026  -3.034   7.569
  144   3HD1  LEU  22          3HD1      LEU  22   0.303  -4.339   6.628
  145   1HD2  LEU  22          1HD2      LEU  22   3.130  -5.038   6.899
  146   2HD2  LEU  22          2HD2      LEU  22   3.175  -3.433   7.630
  147   3HD2  LEU  22          3HD2      LEU  22   4.175  -3.790   6.222
  148    H    CYS  23           H        CYS  23   0.025  -1.829   4.161
  149    HA   CYS  23           HA       CYS  23   0.893  -0.314   1.933
  150   1HB   CYS  23          2HB       CYS  23  -1.053   0.308   3.333
  151   2HB   CYS  23          1HB       CYS  23   0.034   0.637   4.676
  152    H    SER  24           H        SER  24   2.766   0.768   1.589
  153    HA   SER  24           HA       SER  24   4.659   0.816   3.834
  154   1HB   SER  24          2HB       SER  24   6.484   0.564   2.194
  155   2HB   SER  24          1HB       SER  24   5.369  -0.800   2.148
  156    HG   SER  24           HG       SER  24   4.342   0.321   0.342
  157    H    CYS  25           H        CYS  25   5.450   2.659   4.416
  158    HA   CYS  25           HA       CYS  25   5.160   5.015   2.670
  159   1HB   CYS  25          2HB       CYS  25   5.037   4.787   5.689
  160   2HB   CYS  25          1HB       CYS  25   5.211   6.322   4.849
  161    H    ILE  26           H        ILE  26   7.257   3.900   1.941
  162    HA   ILE  26           HA       ILE  26   9.551   3.949   3.592
  163    HB   ILE  26           HB       ILE  26  10.800   3.697   1.403
  164   1HG1  ILE  26          2HG1      ILE  26   7.980   3.515   0.312
  165   2HG1  ILE  26          1HG1      ILE  26   9.109   4.826  -0.015
  166   1HG2  ILE  26          1HG2      ILE  26  10.273   1.791   2.730
  167   2HG2  ILE  26          2HG2      ILE  26   9.903   1.394   1.052
  168   3HG2  ILE  26          3HG2      ILE  26   8.601   1.793   2.172
  169   1HD1  ILE  26          1HD1      ILE  26  10.203   2.203  -0.631
  170   2HD1  ILE  26          2HD1      ILE  26  10.139   3.668  -1.612
  171   3HD1  ILE  26          3HD1      ILE  26   8.747   2.587  -1.549
  172    H    PHE  27           H        PHE  27   8.566   6.432   3.964
  173    HA   PHE  27           HA       PHE  27   9.114   8.624   4.051
  174   1HB   PHE  27          2HB       PHE  27  11.752   7.435   3.228
  175   2HB   PHE  27          1HB       PHE  27  11.567   9.161   3.505
  176    HD1  PHE  27           1HD      PHE  27  12.452   9.810   5.505
  177    HD2  PHE  27           2HD      PHE  27  10.420   6.077   5.293
  178    HE1  PHE  27           1HE      PHE  27  12.836   9.469   7.910
  179    HE2  PHE  27           2HE      PHE  27  10.798   5.731   7.698
  180    HZ   PHE  27           HZ       PHE  27  12.007   7.428   9.011
  181    H    PHE  28           H        PHE  28   8.157   7.416   1.455
  182    HA   PHE  28           HA       PHE  28   8.733   9.776  -0.177
  183   1HB   PHE  28          2HB       PHE  28   8.900   6.913  -1.060
  184   2HB   PHE  28          1HB       PHE  28   8.496   8.176  -2.206
  185    HD1  PHE  28           1HD      PHE  28  10.180   9.184  -3.378
  186    HD2  PHE  28           2HD      PHE  28  11.095   7.354   0.351
  187    HE1  PHE  28           1HE      PHE  28  12.570   9.632  -3.750
  188    HE2  PHE  28           2HE      PHE  28  13.486   7.804  -0.011
  189    HZ   PHE  28           HZ       PHE  28  14.227   8.944  -2.063
  190    H    TYR  29           H        TYR  29   7.029  10.627  -1.133
  191    HA   TYR  29           HA       TYR  29   4.415   9.505  -0.517
  192   1HB   TYR  29          2HB       TYR  29   4.964  11.931  -0.084
  193   2HB   TYR  29          1HB       TYR  29   5.074  12.157  -1.826
  194    HD1  TYR  29           1HD      TYR  29   2.678  10.732   0.673
  195    HD2  TYR  29           2HD      TYR  29   3.209  13.004  -2.886
  196    HE1  TYR  29           1HE      TYR  29   0.255  11.136   0.576
  197    HE2  TYR  29           2HE      TYR  29   0.788  13.415  -2.991
  198    HH   TYR  29           HH       TYR  29  -1.420  11.752  -1.641
  199    HA   PRO  30           HA       PRO  30   2.680   9.158  -0.974
  200   1HB   PRO  30          2HB       PRO  30   0.720   7.712  -2.139
  201   2HB   PRO  30          1HB       PRO  30   0.897   9.449  -2.392
  202   1HG   PRO  30          2HG       PRO  30   1.362   7.255  -4.264
  203   2HG   PRO  30          1HG       PRO  30   1.200   8.986  -4.592
  204   1HD   PRO  30          2HD       PRO  30   3.623   7.377  -4.319
  205   2HD   PRO  30          1HD       PRO  30   3.441   9.034  -4.932
  206    H    CYS  31           H        CYS  31   1.632   7.283   0.174
  207    HA   CYS  31           HA       CYS  31   3.495   5.091   0.357
  208   1HB   CYS  31          2HB       CYS  31   0.877   5.535   1.808
  209   2HB   CYS  31          1HB       CYS  31   2.085   4.330   2.218
  210    H    SER  32           H        SER  32   3.014   2.901  -0.118
  211    HA   SER  32           HA       SER  32   0.442   2.356  -1.361
  212   1HB   SER  32          2HB       SER  32   1.927   1.238  -3.288
  213   2HB   SER  32          1HB       SER  32   1.363   2.907  -3.375
  214    HG   SER  32           HG       SER  32   3.348   3.617  -2.707
  215    H    CYS  33           H        CYS  33  -0.240   0.309  -1.161
  216    HA   CYS  33           HA       CYS  33   1.077  -1.440   0.633
  217   1HB   CYS  33          2HB       CYS  33  -1.098  -2.276  -1.287
  218   2HB   CYS  33          1HB       CYS  33  -0.730  -2.939   0.292
  219    H    ARG  34           H        ARG  34   2.496  -2.975   0.281
  220    HA   ARG  34           HA       ARG  34   3.065  -3.769  -2.504
  221   1HB   ARG  34          2HB       ARG  34   5.056  -3.720  -0.227
  222   2HB   ARG  34          1HB       ARG  34   5.392  -3.970  -1.933
  223   1HG   ARG  34          2HG       ARG  34   4.368  -1.407  -0.738
  224   2HG   ARG  34          1HG       ARG  34   6.055  -1.746  -1.125
  225   1HD   ARG  34          2HD       ARG  34   5.516  -1.957  -3.468
  226   2HD   ARG  34          1HD       ARG  34   3.796  -1.777  -3.123
  227    HE   ARG  34           HE       ARG  34   4.092   0.477  -3.129
  228   1HH1  ARG  34          1HH1      ARG  34   7.227  -0.988  -2.541
  229   2HH1  ARG  34          2HH1      ARG  34   8.062   0.527  -2.494
  230   1HH2  ARG  34          1HH2      ARG  34   5.178   2.459  -3.060
  231   2HH2  ARG  34          2HH2      ARG  34   6.894   2.500  -2.790
  232    HA   PRO  35           HA       PRO  35   2.363  -7.987  -1.400
  233   1HB   PRO  35          2HB       PRO  35   4.663  -9.238  -2.283
  234   2HB   PRO  35          1HB       PRO  35   3.292  -8.812  -3.313
  235   1HG   PRO  35          2HG       PRO  35   5.873  -7.362  -2.894
  236   2HG   PRO  35          1HG       PRO  35   4.959  -7.618  -4.393
  237   1HD   PRO  35          2HD       PRO  35   4.886  -5.273  -3.098
  238   2HD   PRO  35          1HD       PRO  35   3.445  -5.928  -3.903
  239    H    LYS  36           H        LYS  36   3.039  -9.686   0.056
  240    HA   LYS  36           HA       LYS  36   4.509  -8.644   2.291
  241   1HB   LYS  36          2HB       LYS  36   2.455 -10.107   2.463
  242   2HB   LYS  36          1HB       LYS  36   3.457 -11.454   1.934
  243   1HG   LYS  36          2HG       LYS  36   4.897 -11.156   3.887
  244   2HG   LYS  36          1HG       LYS  36   3.891  -9.806   4.419
  245   1HD   LYS  36          2HD       LYS  36   1.951 -11.376   4.491
  246   2HD   LYS  36          1HD       LYS  36   3.072 -12.696   4.148
  247   1HE   LYS  36          2HE       LYS  36   2.636 -12.540   6.535
  248   2HE   LYS  36          1HE       LYS  36   4.321 -12.154   6.186
  249   1HZ   LYS  36          1HZ       LYS  36   2.488 -10.605   7.572
  250   2HZ   LYS  36          2HZ       LYS  36   2.760  -9.803   6.107
  251   3HZ   LYS  36          3HZ       LYS  36   4.062 -10.178   7.120
  252    H    GLY  37           H        GLY  37   6.461  -8.331   1.157
  253   1HA   GLY  37          2HA       GLY  37   8.644  -9.633   1.730
  254   2HA   GLY  37          1HA       GLY  37   8.022 -10.713   0.482
  255    H    TRP  38           H        TRP  38   7.966  -7.204   0.786
  256    HA   TRP  38           HA       TRP  38   8.708  -6.849  -1.956
  257   1HB   TRP  38          2HB       TRP  38   8.489  -4.442  -1.461
  258   2HB   TRP  38          1HB       TRP  38   7.084  -5.350  -0.920
  259    HD1  TRP  38           HD       TRP  38  10.385  -4.051   0.693
  260    HE1  TRP  38           1HE      TRP  38   9.830  -3.214   3.059
  261    HE3  TRP  38           3HE      TRP  38   5.400  -5.184   0.814
  262    HZ2  TRP  38           2HZ      TRP  38   7.582  -3.050   4.753
  263    HZ3  TRP  38           3HZ      TRP  38   4.122  -4.655   2.845
  264    HH2  TRP  38           HH       TRP  38   5.191  -3.610   4.774
  Start of MODEL    8
    1   1H    LYS   1          1HT       LYS   1 -12.828  -5.503   0.285
    2   2H    LYS   1          2HT       LYS   1 -12.347  -5.458  -1.335
    3    H    LYS   1           H        LYS   1 -13.092  -5.565   0.212
    4   3H    LYS   1          3HT       LYS   1 -13.953  -5.118  -0.921
    5    HA   LYS   1           HA       LYS   1 -12.578  -3.130  -1.460
    6   1HB   LYS   1          2HB       LYS   1 -14.672  -3.189  -0.024
    7   2HB   LYS   1          1HB       LYS   1 -13.620  -3.239   1.381
    8   1HG   LYS   1          2HG       LYS   1 -14.381  -0.990   1.047
    9   2HG   LYS   1          1HG       LYS   1 -12.655  -1.067   0.686
   10   1HD   LYS   1          2HD       LYS   1 -13.027  -0.940  -1.634
   11   2HD   LYS   1          1HD       LYS   1 -14.742  -1.317  -1.462
   12   1HE   LYS   1          2HE       LYS   1 -14.472   1.032  -1.960
   13   2HE   LYS   1          1HE       LYS   1 -15.075   0.839  -0.316
   14   1HZ   LYS   1          1HZ       LYS   1 -13.052   1.471   0.587
   15   2HZ   LYS   1          2HZ       LYS   1 -13.178   2.489  -0.755
   16   3HZ   LYS   1          3HZ       LYS   1 -12.178   1.125  -0.820
   17    H    CYS   2           H        CYS   2 -10.340  -3.692  -1.568
   18    HA   CYS   2           HA       CYS   2  -8.810  -2.642   0.612
   19   1HB   CYS   2          2HB       CYS   2  -7.392  -4.672   0.891
   20   2HB   CYS   2          1HB       CYS   2  -9.033  -4.884   1.481
   21    H    LEU   3           H        LEU   3  -6.588  -2.407   0.055
   22    HA   LEU   3           HA       LEU   3  -6.271  -1.733  -2.716
   23   1HB   LEU   3          2HB       LEU   3  -4.368  -1.566  -0.384
   24   2HB   LEU   3          1HB       LEU   3  -4.111  -0.835  -1.953
   25    HG   LEU   3           HG       LEU   3  -6.404  -0.157  -0.121
   26   1HD1  LEU   3          1HD1      LEU   3  -5.228   1.535   0.787
   27   2HD1  LEU   3          2HD1      LEU   3  -4.263   1.793  -0.667
   28   3HD1  LEU   3          3HD1      LEU   3  -3.870   0.467   0.428
   29   1HD2  LEU   3          1HD2      LEU   3  -6.425   0.161  -2.751
   30   2HD2  LEU   3          2HD2      LEU   3  -5.493   1.599  -2.333
   31   3HD2  LEU   3          3HD2      LEU   3  -7.106   1.368  -1.660
   32    H    ALA   4           H        ALA   4  -5.120  -2.779  -4.246
   33    HA   ALA   4           HA       ALA   4  -4.351  -5.490  -3.740
   34   1HB   ALA   4          1HB       ALA   4  -3.541  -4.460  -6.321
   35   2HB   ALA   4          2HB       ALA   4  -5.217  -4.061  -5.940
   36   3HB   ALA   4          3HB       ALA   4  -4.684  -5.742  -5.923
   37    H    GLU   5           H        GLU   5  -2.229  -5.915  -5.424
   38    HA   GLU   5           HA       GLU   5  -0.044  -5.222  -3.730
   39   1HB   GLU   5          2HB       GLU   5   1.321  -6.393  -5.550
   40   2HB   GLU   5          1HB       GLU   5   0.146  -7.355  -4.667
   41   1HG   GLU   5          2HG       GLU   5  -0.569  -6.103  -7.287
   42   2HG   GLU   5          1HG       GLU   5   0.330  -7.619  -7.220
   43    H    ALA   6           H        ALA   6   1.346  -3.676  -3.861
   44    HA   ALA   6           HA       ALA   6   2.453  -1.803  -4.474
   45   1HB   ALA   6          1HB       ALA   6   2.585  -3.480  -6.711
   46   2HB   ALA   6          2HB       ALA   6   3.612  -2.093  -6.350
   47   3HB   ALA   6          3HB       ALA   6   2.165  -1.886  -7.338
   48    H    ALA   7           H        ALA   7  -0.288  -1.649  -3.893
   49    HA   ALA   7           HA       ALA   7  -1.284   0.396  -5.762
   50   1HB   ALA   7          1HB       ALA   7  -3.304  -0.461  -5.417
   51   2HB   ALA   7          2HB       ALA   7  -3.151  -0.224  -3.676
   52   3HB   ALA   7          3HB       ALA   7  -2.564  -1.712  -4.418
   53    H    ASP   8           H        ASP   8  -1.678   2.497  -5.107
   54    HA   ASP   8           HA       ASP   8  -0.176   3.482  -2.943
   55   1HB   ASP   8          2HB       ASP   8  -1.056   5.645  -3.473
   56   2HB   ASP   8          1HB       ASP   8  -0.803   4.790  -4.988
   57    H    CYS   9           H        CYS   9  -0.806   4.396  -0.979
   58    HA   CYS   9           HA       CYS   9  -3.518   3.827  -0.060
   59   1HB   CYS   9          2HB       CYS   9  -2.334   3.102   2.174
   60   2HB   CYS   9          1HB       CYS   9  -2.628   1.946   0.886
   61    H    SER  10           H        SER  10  -4.235   5.044   1.619
   62    HA   SER  10           HA       SER  10  -3.010   7.638   1.839
   63   1HB   SER  10          2HB       SER  10  -5.444   6.593   3.295
   64   2HB   SER  10          1HB       SER  10  -5.021   8.277   2.981
   65    HG   SER  10           HG       SER  10  -5.055   7.238   0.634
   66    HA   PRO  11           HA       PRO  11  -0.568   6.644   5.404
   67   1HB   PRO  11          2HB       PRO  11  -0.029   9.196   6.179
   68   2HB   PRO  11          1HB       PRO  11   0.752   8.416   4.798
   69   1HG   PRO  11          2HG       PRO  11  -1.619  10.258   4.831
   70   2HG   PRO  11          1HG       PRO  11  -0.186  10.318   3.795
   71   1HD   PRO  11          2HD       PRO  11  -2.459   9.273   2.896
   72   2HD   PRO  11          1HD       PRO  11  -0.897   8.527   2.489
   73    H    TRP  12           H        TRP  12  -2.922   9.302   5.871
   74    HA   TRP  12           HA       TRP  12  -3.063   8.780   8.687
   75   1HB   TRP  12          2HB       TRP  12  -4.751  10.594   6.956
   76   2HB   TRP  12          1HB       TRP  12  -4.785  10.551   8.715
   77    HD1  TRP  12           HD       TRP  12  -2.463  11.361   9.970
   78    HE1  TRP  12           1HE      TRP  12  -0.757  13.145   9.244
   79    HE3  TRP  12           3HE      TRP  12  -3.676  11.680   5.013
   80    HZ2  TRP  12           2HZ      TRP  12  -0.026  14.513   6.886
   81    HZ3  TRP  12           3HZ      TRP  12  -2.429  13.255   3.593
   82    HH2  TRP  12           HH       TRP  12  -0.642  14.642   4.512
   83    H    SER  13           H        SER  13  -5.401   8.484   6.009
   84    HA   SER  13           HA       SER  13  -6.563   6.144   7.220
   85   1HB   SER  13          2HB       SER  13  -8.205   8.687   7.068
   86   2HB   SER  13          1HB       SER  13  -8.854   7.088   7.425
   87    HG   SER  13           HG       SER  13  -6.771   7.622   9.046
   88    H    GLY  14           H        GLY  14  -7.553   4.883   5.748
   89   1HA   GLY  14          2HA       GLY  14  -8.889   5.742   3.435
   90   2HA   GLY  14          1HA       GLY  14  -7.227   5.353   3.005
   91    H    ASP  15           H        ASP  15  -8.049   3.599   1.700
   92    HA   ASP  15           HA       ASP  15  -9.518   1.465   2.916
   93   1HB   ASP  15          2HB       ASP  15  -8.387   1.989   0.257
   94   2HB   ASP  15          1HB       ASP  15  -8.379   0.300   0.723
   95    H    SER  16           H        SER  16  -8.796  -0.610   3.359
   96    HA   SER  16           HA       SER  16  -6.100  -0.693   4.410
   97   1HB   SER  16          2HB       SER  16  -8.137  -2.912   4.494
   98   2HB   SER  16          1HB       SER  16  -6.763  -2.666   5.568
   99    HG   SER  16           HG       SER  16  -8.371  -0.503   5.580
  100    H    CYS  17           H        CYS  17  -4.521  -2.157   3.736
  101    HA   CYS  17           HA       CYS  17  -4.609  -2.836   0.957
  102   1HB   CYS  17          2HB       CYS  17  -2.575  -3.840   2.951
  103   2HB   CYS  17          1HB       CYS  17  -2.364  -3.575   1.226
  104    H    CYS  18           H        CYS  18  -4.871  -4.869   0.032
  105    HA   CYS  18           HA       CYS  18  -6.365  -6.817   1.426
  106   1HB   CYS  18          2HB       CYS  18  -4.739  -7.172  -1.111
  107   2HB   CYS  18          1HB       CYS  18  -6.007  -8.246  -0.542
  108    H    LYS  19           H        LYS  19  -5.724  -8.749   2.343
  109    HA   LYS  19           HA       LYS  19  -3.055  -8.738   3.370
  110   1HB   LYS  19          2HB       LYS  19  -3.785 -10.782   4.563
  111   2HB   LYS  19          1HB       LYS  19  -4.845  -9.415   4.826
  112   1HG   LYS  19          2HG       LYS  19  -6.444 -10.328   3.239
  113   2HG   LYS  19          1HG       LYS  19  -5.365 -11.685   2.915
  114   1HD   LYS  19          2HD       LYS  19  -7.094 -12.372   4.461
  115   2HD   LYS  19          1HD       LYS  19  -5.537 -12.348   5.289
  116   1HE   LYS  19          2HE       LYS  19  -6.084 -10.164   6.249
  117   2HE   LYS  19          1HE       LYS  19  -7.637 -10.185   5.417
  118   1HZ   LYS  19          1HZ       LYS  19  -7.842 -12.458   6.700
  119   2HZ   LYS  19          2HZ       LYS  19  -8.263 -10.991   7.429
  120   3HZ   LYS  19          3HZ       LYS  19  -6.763 -11.697   7.760
  121    HA   PRO  20           HA       PRO  20  -1.645  -9.729   4.095
  122   1HB   PRO  20          2HB       PRO  20   0.778 -10.865   4.039
  123   2HB   PRO  20          1HB       PRO  20  -0.674 -11.805   4.402
  124   1HG   PRO  20          2HG       PRO  20   1.017 -11.839   1.994
  125   2HG   PRO  20          1HG       PRO  20  -0.122 -13.060   2.582
  126   1HD   PRO  20          2HD       PRO  20  -0.533 -10.992   0.572
  127   2HD   PRO  20          1HD       PRO  20  -1.597 -12.346   1.011
  128    H    TYR  21           H        TYR  21  -1.610  -8.100   1.652
  129    HA   TYR  21           HA       TYR  21   1.099  -7.146   1.297
  130   1HB   TYR  21          2HB       TYR  21  -1.435  -5.737   0.413
  131   2HB   TYR  21          1HB       TYR  21   0.185  -5.566  -0.250
  132    HD1  TYR  21           1HD      TYR  21   0.801  -8.585  -0.337
  133    HD2  TYR  21           2HD      TYR  21  -2.541  -6.288  -1.624
  134    HE1  TYR  21           1HE      TYR  21   0.279 -10.297  -2.020
  135    HE2  TYR  21           2HE      TYR  21  -3.070  -7.995  -3.312
  136    HH   TYR  21           HH       TYR  21  -1.756  -9.790  -4.593
  137    H    LEU  22           H        LEU  22   1.917  -5.138   1.990
  138    HA   LEU  22           HA       LEU  22   0.362  -3.866   4.146
  139   1HB   LEU  22          2HB       LEU  22   2.069  -5.282   5.112
  140   2HB   LEU  22          1HB       LEU  22   3.300  -4.537   4.112
  141    HG   LEU  22           HG       LEU  22   2.897  -2.384   5.312
  142   1HD1  LEU  22          1HD1      LEU  22   0.557  -3.069   6.025
  143   2HD1  LEU  22          2HD1      LEU  22   1.552  -2.256   7.234
  144   3HD1  LEU  22          3HD1      LEU  22   1.335  -4.005   7.300
  145   1HD2  LEU  22          1HD2      LEU  22   3.535  -4.018   7.591
  146   2HD2  LEU  22          2HD2      LEU  22   4.583  -2.975   6.630
  147   3HD2  LEU  22          3HD2      LEU  22   4.313  -4.646   6.138
  148    H    CYS  23           H        CYS  23   0.334  -1.702   4.227
  149    HA   CYS  23           HA       CYS  23   1.141  -0.175   1.976
  150   1HB   CYS  23          2HB       CYS  23  -0.826   0.386   3.365
  151   2HB   CYS  23          1HB       CYS  23   0.240   0.745   4.717
  152    H    SER  24           H        SER  24   3.070   0.729   1.563
  153    HA   SER  24           HA       SER  24   4.961   0.937   3.800
  154   1HB   SER  24          2HB       SER  24   6.752   0.807   2.083
  155   2HB   SER  24          1HB       SER  24   5.721  -0.623   2.099
  156    HG   SER  24           HG       SER  24   4.550   0.429   0.331
  157    H    CYS  25           H        CYS  25   5.631   2.847   4.415
  158    HA   CYS  25           HA       CYS  25   5.175   5.169   2.665
  159   1HB   CYS  25          2HB       CYS  25   5.175   4.996   5.691
  160   2HB   CYS  25          1HB       CYS  25   5.110   6.505   4.789
  161    H    ILE  26           H        ILE  26   7.319   4.241   1.875
  162    HA   ILE  26           HA       ILE  26   9.643   4.549   3.487
  163    HB   ILE  26           HB       ILE  26   9.473   2.945   1.658
  164   1HG1  ILE  26          2HG1      ILE  26  11.710   4.934   1.236
  165   2HG1  ILE  26          1HG1      ILE  26  11.689   3.676   2.468
  166   1HG2  ILE  26          1HG2      ILE  26   9.286   3.447  -0.572
  167   2HG2  ILE  26          2HG2      ILE  26   9.934   5.075  -0.371
  168   3HG2  ILE  26          3HG2      ILE  26   8.290   4.709   0.154
  169   1HD1  ILE  26          1HD1      ILE  26  11.257   2.691  -0.248
  170   2HD1  ILE  26          2HD1      ILE  26  12.325   2.098   1.025
  171   3HD1  ILE  26          3HD1      ILE  26  12.827   3.452   0.012
  172    H    PHE  27           H        PHE  27   8.400   6.859   3.765
  173    HA   PHE  27           HA       PHE  27   8.647   9.107   3.799
  174   1HB   PHE  27          2HB       PHE  27  11.406   8.311   2.890
  175   2HB   PHE  27          1HB       PHE  27  10.968   9.987   3.196
  176    HD1  PHE  27           1HD      PHE  27  11.791  10.757   5.176
  177    HD2  PHE  27           2HD      PHE  27  10.394   6.741   4.978
  178    HE1  PHE  27           1HE      PHE  27  12.307  10.464   7.561
  179    HE2  PHE  27           2HE      PHE  27  10.905   6.443   7.366
  180    HZ   PHE  27           HZ       PHE  27  11.863   8.305   8.661
  181    H    PHE  28           H        PHE  28   7.720   7.780   1.267
  182    HA   PHE  28           HA       PHE  28   8.114  10.120  -0.464
  183   1HB   PHE  28          2HB       PHE  28   8.148   7.226  -1.224
  184   2HB   PHE  28          1HB       PHE  28   7.621   8.430  -2.382
  185    HD1  PHE  28           1HD      PHE  28  10.461   8.046   0.030
  186    HD2  PHE  28           2HD      PHE  28   9.189   9.040  -3.904
  187    HE1  PHE  28           1HE      PHE  28  12.796   8.474  -0.612
  188    HE2  PHE  28           2HE      PHE  28  11.522   9.469  -4.555
  189    HZ   PHE  28           HZ       PHE  28  13.330   9.186  -2.907
  190    H    TYR  29           H        TYR  29   6.341  11.014  -1.218
  191    HA   TYR  29           HA       TYR  29   3.777   9.944  -0.345
  192   1HB   TYR  29          2HB       TYR  29   4.381  12.333   0.089
  193   2HB   TYR  29          1HB       TYR  29   4.394  12.608  -1.650
  194    HD1  TYR  29           1HD      TYR  29   2.532  13.695  -2.448
  195    HD2  TYR  29           2HD      TYR  29   2.076  11.016   0.827
  196    HE1  TYR  29           1HE      TYR  29   0.123  14.188  -2.387
  197    HE2  TYR  29           2HE      TYR  29  -0.333  11.501   0.896
  198    HH   TYR  29           HH       TYR  29  -1.761  14.014  -1.085
  199    HA   PRO  30           HA       PRO  30   2.126   9.360  -0.571
  200   1HB   PRO  30          2HB       PRO  30   0.179   7.762  -1.449
  201   2HB   PRO  30          1HB       PRO  30   0.151   9.497  -1.783
  202   1HG   PRO  30          2HG       PRO  30   0.725   7.238  -3.603
  203   2HG   PRO  30          1HG       PRO  30   0.097   8.852  -3.974
  204   1HD   PRO  30          2HD       PRO  30   2.804   7.907  -4.189
  205   2HD   PRO  30          1HD       PRO  30   2.176   9.522  -4.566
  206    H    CYS  31           H        CYS  31   1.315   7.191   0.441
  207    HA   CYS  31           HA       CYS  31   3.531   5.350   0.405
  208   1HB   CYS  31          2HB       CYS  31   0.898   5.159   1.890
  209   2HB   CYS  31          1HB       CYS  31   2.346   4.216   2.213
  210    H    SER  32           H        SER  32   3.076   2.937   0.168
  211    HA   SER  32           HA       SER  32   0.769   2.333  -1.495
  212   1HB   SER  32          2HB       SER  32   2.413   1.237  -3.194
  213   2HB   SER  32          1HB       SER  32   2.122   2.976  -3.273
  214    HG   SER  32           HG       SER  32   4.043   3.223  -1.974
  215    H    CYS  33           H        CYS  33   0.011   0.360  -1.139
  216    HA   CYS  33           HA       CYS  33   1.227  -1.384   0.749
  217   1HB   CYS  33          2HB       CYS  33  -1.005  -2.109  -1.156
  218   2HB   CYS  33          1HB       CYS  33  -0.655  -2.817   0.413
  219    H    ARG  34           H        ARG  34   2.754  -2.785   0.386
  220    HA   ARG  34           HA       ARG  34   3.329  -3.597  -2.371
  221   1HB   ARG  34          2HB       ARG  34   5.057  -3.653   0.114
  222   2HB   ARG  34          1HB       ARG  34   5.564  -4.224  -1.471
  223   1HG   ARG  34          2HG       ARG  34   4.735  -1.401  -0.829
  224   2HG   ARG  34          1HG       ARG  34   6.399  -1.974  -0.975
  225   1HD   ARG  34          2HD       ARG  34   6.206  -2.333  -3.263
  226   2HD   ARG  34          1HD       ARG  34   4.445  -2.377  -3.205
  227    HE   ARG  34           HE       ARG  34   5.165   0.169  -2.421
  228   1HH1  ARG  34          1HH1      ARG  34   5.649  -1.819  -5.260
  229   2HH1  ARG  34          2HH1      ARG  34   5.600  -0.486  -6.364
  230   1HH2  ARG  34          1HH2      ARG  34   5.075   1.931  -3.863
  231   2HH2  ARG  34          2HH2      ARG  34   5.277   1.658  -5.567
  232    HA   PRO  35           HA       PRO  35   1.978  -7.720  -1.637
  233   1HB   PRO  35          2HB       PRO  35   4.212  -8.759  -3.197
  234   2HB   PRO  35          1HB       PRO  35   2.491  -8.764  -3.582
  235   1HG   PRO  35          2HG       PRO  35   4.363  -7.215  -4.853
  236   2HG   PRO  35          1HG       PRO  35   2.634  -6.839  -4.778
  237   1HD   PRO  35          2HD       PRO  35   4.900  -5.627  -3.318
  238   2HD   PRO  35          1HD       PRO  35   3.337  -4.922  -3.769
  239    H    LYS  36           H        LYS  36   2.490  -9.480  -0.287
  240    HA   LYS  36           HA       LYS  36   4.799  -9.031   1.348
  241   1HB   LYS  36          2HB       LYS  36   2.342 -10.179   1.854
  242   2HB   LYS  36          1HB       LYS  36   3.437 -11.561   1.839
  243   1HG   LYS  36          2HG       LYS  36   3.825  -9.066   3.489
  244   2HG   LYS  36          1HG       LYS  36   3.162 -10.586   4.087
  245   1HD   LYS  36          2HD       LYS  36   5.187 -11.555   4.226
  246   2HD   LYS  36          1HD       LYS  36   5.740 -10.845   2.713
  247   1HE   LYS  36          2HE       LYS  36   5.521  -9.320   5.306
  248   2HE   LYS  36          1HE       LYS  36   6.997 -10.111   4.760
  249   1HZ   LYS  36          1HZ       LYS  36   5.704  -8.240   2.914
  250   2HZ   LYS  36          2HZ       LYS  36   7.356  -8.552   3.146
  251   3HZ   LYS  36          3HZ       LYS  36   6.506  -7.587   4.249
  252    H    GLY  37           H        GLY  37   6.600 -10.107   1.387
  253   1HA   GLY  37          2HA       GLY  37   7.609 -12.429   0.761
  254   2HA   GLY  37          1HA       GLY  37   7.237 -11.841  -0.868
  255    H    TRP  38           H        TRP  38   7.519  -9.136  -0.183
  256    HA   TRP  38           HA       TRP  38  10.408  -8.832  -0.286
  257   1HB   TRP  38          2HB       TRP  38   8.130  -6.864  -0.698
  258   2HB   TRP  38          1HB       TRP  38   9.832  -6.437  -0.800
  259    HD1  TRP  38           HD       TRP  38  10.804  -6.461  -3.144
  260    HE1  TRP  38           1HE      TRP  38  10.165  -7.477  -5.415
  261    HE3  TRP  38           3HE      TRP  38   6.726  -9.192  -1.703
  262    HZ2  TRP  38           2HZ      TRP  38   8.197  -9.197  -6.464
  263    HZ3  TRP  38           3HZ      TRP  38   5.519 -10.489  -3.408
  264    HH2  TRP  38           HH       TRP  38   6.240 -10.490  -5.740
  Start of MODEL    9
    1   1H    LYS   1          1HT       LYS   1 -13.227  -4.487   1.657
    2   2H    LYS   1          2HT       LYS   1 -13.862  -5.640   0.591
    3    H    LYS   1           H        LYS   1 -13.595  -4.232   1.651
    4   3H    LYS   1          3HT       LYS   1 -14.575  -4.110   0.705
    5    HA   LYS   1           HA       LYS   1 -12.683  -4.883  -1.101
    6   1HB   LYS   1          2HB       LYS   1 -14.407  -3.035  -1.185
    7   2HB   LYS   1          1HB       LYS   1 -13.330  -2.064  -0.192
    8   1HG   LYS   1          2HG       LYS   1 -11.720  -1.911  -1.904
    9   2HG   LYS   1          1HG       LYS   1 -12.477  -3.201  -2.838
   10   1HD   LYS   1          2HD       LYS   1 -13.005  -1.110  -3.885
   11   2HD   LYS   1          1HD       LYS   1 -14.471  -1.732  -3.128
   12   1HE   LYS   1          2HE       LYS   1 -14.344   0.612  -2.679
   13   2HE   LYS   1          1HE       LYS   1 -14.006  -0.246  -1.177
   14   1HZ   LYS   1          1HZ       LYS   1 -11.719   0.468  -2.838
   15   2HZ   LYS   1          2HZ       LYS   1 -11.865   0.439  -1.150
   16   3HZ   LYS   1          3HZ       LYS   1 -12.506   1.732  -2.037
   17    H    CYS   2           H        CYS   2 -10.509  -4.123  -1.496
   18    HA   CYS   2           HA       CYS   2  -9.023  -2.875   0.615
   19   1HB   CYS   2          2HB       CYS   2  -7.459  -4.816   0.912
   20   2HB   CYS   2          1HB       CYS   2  -9.065  -5.070   1.586
   21    H    LEU   3           H        LEU   3  -6.777  -2.600   0.039
   22    HA   LEU   3           HA       LEU   3  -6.515  -1.933  -2.740
   23   1HB   LEU   3          2HB       LEU   3  -4.577  -1.691  -0.441
   24   2HB   LEU   3          1HB       LEU   3  -4.383  -0.956  -2.015
   25    HG   LEU   3           HG       LEU   3  -6.610  -0.333  -0.085
   26   1HD1  LEU   3          1HD1      LEU   3  -5.495   1.716   0.371
   27   2HD1  LEU   3          2HD1      LEU   3  -4.262   1.383  -0.846
   28   3HD1  LEU   3          3HD1      LEU   3  -4.335   0.412   0.623
   29   1HD2  LEU   3          1HD2      LEU   3  -6.647  -0.039  -2.793
   30   2HD2  LEU   3          2HD2      LEU   3  -6.001   1.518  -2.274
   31   3HD2  LEU   3          3HD2      LEU   3  -7.556   0.959  -1.658
   32    H    ALA   4           H        ALA   4  -5.378  -2.979  -4.278
   33    HA   ALA   4           HA       ALA   4  -4.424  -5.632  -3.738
   34   1HB   ALA   4          1HB       ALA   4  -5.418  -4.249  -5.958
   35   2HB   ALA   4          2HB       ALA   4  -4.924  -5.940  -5.876
   36   3HB   ALA   4          3HB       ALA   4  -3.766  -4.706  -6.373
   37    H    GLU   5           H        GLU   5  -2.347  -5.887  -5.566
   38    HA   GLU   5           HA       GLU   5  -0.138  -5.069  -3.963
   39   1HB   GLU   5          2HB       GLU   5   1.207  -6.049  -5.939
   40   2HB   GLU   5          1HB       GLU   5   0.233  -7.132  -4.959
   41   1HG   GLU   5          2HG       GLU   5  -0.860  -5.959  -7.482
   42   2HG   GLU   5          1HG       GLU   5   0.192  -7.374  -7.519
   43    H    ALA   6           H        ALA   6   1.164  -3.449  -4.134
   44    HA   ALA   6           HA       ALA   6   2.124  -1.494  -4.757
   45   1HB   ALA   6          1HB       ALA   6   1.561  -1.502  -7.591
   46   2HB   ALA   6          2HB       ALA   6   2.182  -3.062  -7.056
   47   3HB   ALA   6          3HB       ALA   6   3.109  -1.593  -6.750
   48    H    ALA   7           H        ALA   7  -0.545  -1.502  -3.907
   49    HA   ALA   7           HA       ALA   7  -1.845   0.490  -5.630
   50   1HB   ALA   7          1HB       ALA   7  -2.808  -1.551  -3.771
   51   2HB   ALA   7          2HB       ALA   7  -3.575  -0.859  -5.200
   52   3HB   ALA   7          3HB       ALA   7  -3.652  -0.006  -3.658
   53    H    ASP   8           H        ASP   8  -2.178   2.549  -5.043
   54    HA   ASP   8           HA       ASP   8  -0.657   3.761  -3.028
   55   1HB   ASP   8          2HB       ASP   8  -1.357   5.069  -4.910
   56   2HB   ASP   8          1HB       ASP   8  -3.055   4.736  -4.588
   57    H    CYS   9           H        CYS   9  -1.120   4.473  -0.976
   58    HA   CYS   9           HA       CYS   9  -3.802   3.972   0.068
   59   1HB   CYS   9          2HB       CYS   9  -2.456   3.154   2.217
   60   2HB   CYS   9          1HB       CYS   9  -3.020   2.057   0.967
   61    H    SER  10           H        SER  10  -4.489   5.299   1.545
   62    HA   SER  10           HA       SER  10  -2.894   7.669   2.100
   63   1HB   SER  10          2HB       SER  10  -5.789   7.086   2.776
   64   2HB   SER  10          1HB       SER  10  -4.986   8.654   2.858
   65    HG   SER  10           HG       SER  10  -4.652   7.581   0.414
   66    HA   PRO  11           HA       PRO  11  -1.524   6.546   6.109
   67   1HB   PRO  11          2HB       PRO  11  -1.988   9.009   7.355
   68   2HB   PRO  11          1HB       PRO  11  -0.521   8.532   6.497
   69   1HG   PRO  11          2HG       PRO  11  -2.836  10.151   5.541
   70   2HG   PRO  11          1HG       PRO  11  -1.113  10.324   5.170
   71   1HD   PRO  11          2HD       PRO  11  -2.802   9.260   3.404
   72   2HD   PRO  11          1HD       PRO  11  -1.152   8.629   3.592
   73    H    TRP  12           H        TRP  12  -4.625   8.300   5.957
   74    HA   TRP  12           HA       TRP  12  -5.578   6.551   8.116
   75   1HB   TRP  12          2HB       TRP  12  -6.202   9.507   7.916
   76   2HB   TRP  12          1HB       TRP  12  -6.834   8.397   9.126
   77    HD1  TRP  12           HD       TRP  12  -5.016   7.449  10.953
   78    HE1  TRP  12           1HE      TRP  12  -2.897   8.564  11.897
   79    HE3  TRP  12           3HE      TRP  12  -4.332  11.053   7.389
   80    HZ2  TRP  12           2HZ      TRP  12  -1.171  10.694  11.227
   81    HZ3  TRP  12           3HZ      TRP  12  -2.428  12.593   7.621
   82    HH2  TRP  12           HH       TRP  12  -0.881  12.417   9.501
   83    H    SER  13           H        SER  13  -6.728   9.006   5.802
   84    HA   SER  13           HA       SER  13  -9.283   7.728   5.538
   85   1HB   SER  13          2HB       SER  13  -9.532   9.540   3.721
   86   2HB   SER  13          1HB       SER  13  -9.332  10.077   5.390
   87    HG   SER  13           HG       SER  13  -7.604  10.287   3.226
   88    H    GLY  14           H        GLY  14  -7.874   5.676   4.872
   89   1HA   GLY  14          2HA       GLY  14  -8.179   5.491   1.965
   90   2HA   GLY  14          1HA       GLY  14  -6.596   5.124   2.634
   91    H    ASP  15           H        ASP  15  -8.185   3.324   1.157
   92    HA   ASP  15           HA       ASP  15  -9.616   1.517   2.809
   93   1HB   ASP  15          2HB       ASP  15  -9.488   1.774   0.162
   94   2HB   ASP  15          1HB       ASP  15  -8.243   0.551   0.337
   95    H    SER  16           H        SER  16  -8.943  -0.724   3.234
   96    HA   SER  16           HA       SER  16  -6.250  -0.755   4.306
   97   1HB   SER  16          2HB       SER  16  -8.306  -2.954   4.437
   98   2HB   SER  16          1HB       SER  16  -6.893  -2.749   5.467
   99    HG   SER  16           HG       SER  16  -8.562  -0.576   5.452
  100    H    CYS  17           H        CYS  17  -4.653  -2.202   3.692
  101    HA   CYS  17           HA       CYS  17  -4.674  -2.944   0.934
  102   1HB   CYS  17          2HB       CYS  17  -2.691  -3.836   3.041
  103   2HB   CYS  17          1HB       CYS  17  -2.436  -3.746   1.303
  104    H    CYS  18           H        CYS  18  -4.930  -4.968   0.031
  105    HA   CYS  18           HA       CYS  18  -6.429  -6.921   1.411
  106   1HB   CYS  18          2HB       CYS  18  -4.796  -7.180  -1.134
  107   2HB   CYS  18          1HB       CYS  18  -5.950  -8.374  -0.557
  108    H    LYS  19           H        LYS  19  -5.798  -8.873   2.311
  109    HA   LYS  19           HA       LYS  19  -3.142  -8.859   3.372
  110   1HB   LYS  19          2HB       LYS  19  -3.808 -10.665   4.731
  111   2HB   LYS  19          1HB       LYS  19  -5.197  -9.616   4.623
  112   1HG   LYS  19          2HG       LYS  19  -4.808 -12.121   2.996
  113   2HG   LYS  19          1HG       LYS  19  -5.753 -12.022   4.479
  114   1HD   LYS  19          2HD       LYS  19  -7.424 -10.762   3.480
  115   2HD   LYS  19          1HD       LYS  19  -6.362 -10.192   2.191
  116   1HE   LYS  19          2HE       LYS  19  -7.352 -13.024   2.508
  117   2HE   LYS  19          1HE       LYS  19  -8.027 -11.831   1.398
  118   1HZ   LYS  19          1HZ       LYS  19  -6.522 -12.468  -0.080
  119   2HZ   LYS  19          2HZ       LYS  19  -5.796 -13.518   1.029
  120   3HZ   LYS  19          3HZ       LYS  19  -5.284 -11.906   0.934
  121    HA   PRO  20           HA       PRO  20  -1.807  -9.825   4.117
  122   1HB   PRO  20          2HB       PRO  20   0.632 -10.936   4.165
  123   2HB   PRO  20          1HB       PRO  20  -0.821 -11.900   4.447
  124   1HG   PRO  20          2HG       PRO  20   0.978 -11.873   2.114
  125   2HG   PRO  20          1HG       PRO  20  -0.156 -13.125   2.642
  126   1HD   PRO  20          2HD       PRO  20  -0.532 -11.050   0.633
  127   2HD   PRO  20          1HD       PRO  20  -1.587 -12.426   1.023
  128    H    TYR  21           H        TYR  21  -1.619  -8.310   1.544
  129    HA   TYR  21           HA       TYR  21   1.037  -7.290   1.295
  130   1HB   TYR  21          2HB       TYR  21  -1.513  -5.956   0.337
  131   2HB   TYR  21          1HB       TYR  21   0.123  -5.658  -0.226
  132    HD1  TYR  21           1HD      TYR  21  -2.406  -8.406  -0.026
  133    HD2  TYR  21           2HD      TYR  21   0.903  -6.742  -2.113
  134    HE1  TYR  21           1HE      TYR  21  -2.681 -10.093  -1.792
  135    HE2  TYR  21           2HE      TYR  21   0.636  -8.423  -3.885
  136    HH   TYR  21           HH       TYR  21  -1.356  -9.851  -4.785
  137    H    LEU  22           H        LEU  22   1.757  -5.159   1.832
  138    HA   LEU  22           HA       LEU  22   0.241  -3.898   4.016
  139   1HB   LEU  22          2HB       LEU  22   1.960  -5.300   5.000
  140   2HB   LEU  22          1HB       LEU  22   3.184  -4.556   3.992
  141    HG   LEU  22           HG       LEU  22   2.756  -2.392   5.162
  142   1HD1  LEU  22          1HD1      LEU  22   0.484  -2.808   5.912
  143   2HD1  LEU  22          2HD1      LEU  22   1.531  -2.446   7.285
  144   3HD1  LEU  22          3HD1      LEU  22   1.050  -4.112   6.958
  145   1HD2  LEU  22          1HD2      LEU  22   4.642  -3.392   5.985
  146   2HD2  LEU  22          2HD2      LEU  22   3.780  -4.836   6.518
  147   3HD2  LEU  22          3HD2      LEU  22   3.654  -3.341   7.445
  148    H    CYS  23           H        CYS  23   0.267  -1.718   4.082
  149    HA   CYS  23           HA       CYS  23   1.047  -0.265   1.771
  150   1HB   CYS  23          2HB       CYS  23  -0.889   0.352   3.200
  151   2HB   CYS  23          1HB       CYS  23   0.226   0.773   4.496
  152    H    SER  24           H        SER  24   3.004   0.513   1.298
  153    HA   SER  24           HA       SER  24   4.961   0.665   3.467
  154   1HB   SER  24          2HB       SER  24   6.666   0.671   1.650
  155   2HB   SER  24          1HB       SER  24   5.646  -0.766   1.641
  156    HG   SER  24           HG       SER  24   4.379   0.341  -0.003
  157    H    CYS  25           H        CYS  25   5.658   2.506   4.198
  158    HA   CYS  25           HA       CYS  25   5.234   4.964   2.635
  159   1HB   CYS  25          2HB       CYS  25   5.102   4.501   5.622
  160   2HB   CYS  25          1HB       CYS  25   5.247   6.106   4.917
  161    H    ILE  26           H        ILE  26   7.383   4.064   1.811
  162    HA   ILE  26           HA       ILE  26   9.682   4.109   3.465
  163    HB   ILE  26           HB       ILE  26  10.936   4.120   1.270
  164   1HG1  ILE  26          2HG1      ILE  26   8.131   3.890   0.150
  165   2HG1  ILE  26          1HG1      ILE  26   9.195   5.278  -0.055
  166   1HG2  ILE  26          1HG2      ILE  26  10.400   1.823   0.814
  167   2HG2  ILE  26          2HG2      ILE  26   8.828   1.994   1.595
  168   3HG2  ILE  26          3HG2      ILE  26  10.305   2.101   2.553
  169   1HD1  ILE  26          1HD1      ILE  26   8.942   3.207  -1.802
  170   2HD1  ILE  26          2HD1      ILE  26  10.384   2.749  -0.895
  171   3HD1  ILE  26          3HD1      ILE  26  10.317   4.308  -1.719
  172    H    PHE  27           H        PHE  27   8.494   6.496   4.004
  173    HA   PHE  27           HA       PHE  27   8.894   8.707   4.269
  174   1HB   PHE  27          2HB       PHE  27  11.619   7.760   3.416
  175   2HB   PHE  27          1HB       PHE  27  11.314   9.445   3.804
  176    HD1  PHE  27           1HD      PHE  27  10.333   6.186   5.363
  177    HD2  PHE  27           2HD      PHE  27  12.144  10.006   5.855
  178    HE1  PHE  27           1HE      PHE  27  10.691   5.704   7.748
  179    HE2  PHE  27           2HE      PHE  27  12.506   9.530   8.241
  180    HZ   PHE  27           HZ       PHE  27  11.780   7.377   9.190
  181    H    PHE  28           H        PHE  28   8.048   7.640   1.577
  182    HA   PHE  28           HA       PHE  28   8.473  10.148   0.136
  183   1HB   PHE  28          2HB       PHE  28   8.899   7.383  -0.955
  184   2HB   PHE  28          1HB       PHE  28   8.421   8.697  -2.014
  185    HD1  PHE  28           1HD      PHE  28  10.025  10.024  -2.985
  186    HD2  PHE  28           2HD      PHE  28  11.032   7.787   0.490
  187    HE1  PHE  28           1HE      PHE  28  12.379  10.689  -3.244
  188    HE2  PHE  28           2HE      PHE  28  13.387   8.452   0.241
  189    HZ   PHE  28           HZ       PHE  28  14.064   9.905  -1.628
  190    H    TYR  29           H        TYR  29   6.731  10.905  -0.871
  191    HA   TYR  29           HA       TYR  29   4.201   9.558  -0.362
  192   1HB   TYR  29          2HB       TYR  29   4.564  12.007   0.165
  193   2HB   TYR  29          1HB       TYR  29   4.666  12.298  -1.567
  194    HD1  TYR  29           1HD      TYR  29   2.749  13.039  -2.609
  195    HD2  TYR  29           2HD      TYR  29   2.374  10.608   0.862
  196    HE1  TYR  29           1HE      TYR  29   0.304  13.280  -2.710
  197    HE2  TYR  29           2HE      TYR  29  -0.072  10.840   0.769
  198    HH   TYR  29           HH       TYR  29  -1.778  11.451  -1.495
  199    HA   PRO  30           HA       PRO  30   2.495   9.126  -0.881
  200   1HB   PRO  30          2HB       PRO  30   0.627   7.667  -2.114
  201   2HB   PRO  30          1HB       PRO  30   0.776   9.402  -2.404
  202   1HG   PRO  30          2HG       PRO  30   1.461   7.141  -4.168
  203   2HG   PRO  30          1HG       PRO  30   1.090   8.821  -4.586
  204   1HD   PRO  30          2HD       PRO  30   3.680   7.566  -4.289
  205   2HD   PRO  30          1HD       PRO  30   3.307   9.219  -4.817
  206    H    CYS  31           H        CYS  31   1.578   7.175   0.206
  207    HA   CYS  31           HA       CYS  31   3.534   5.056   0.294
  208   1HB   CYS  31          2HB       CYS  31   0.927   5.375   1.797
  209   2HB   CYS  31          1HB       CYS  31   2.157   4.169   2.135
  210    H    SER  32           H        SER  32   3.019   2.798  -0.110
  211    HA   SER  32           HA       SER  32   0.496   2.294  -1.468
  212   1HB   SER  32          2HB       SER  32   1.938   1.198  -3.374
  213   2HB   SER  32          1HB       SER  32   1.590   2.928  -3.398
  214    HG   SER  32           HG       SER  32   3.640   3.242  -2.366
  215    H    CYS  33           H        CYS  33  -0.250   0.282  -1.201
  216    HA   CYS  33           HA       CYS  33   1.048  -1.513   0.568
  217   1HB   CYS  33          2HB       CYS  33  -1.173  -2.294  -1.321
  218   2HB   CYS  33          1HB       CYS  33  -0.805  -2.958   0.259
  219    H    ARG  34           H        ARG  34   2.491  -3.003   0.170
  220    HA   ARG  34           HA       ARG  34   2.980  -3.821  -2.621
  221   1HB   ARG  34          2HB       ARG  34   4.976  -3.626  -0.353
  222   2HB   ARG  34          1HB       ARG  34   5.335  -4.103  -2.003
  223   1HG   ARG  34          2HG       ARG  34   4.228  -1.407  -1.274
  224   2HG   ARG  34          1HG       ARG  34   5.954  -1.754  -1.395
  225   1HD   ARG  34          2HD       ARG  34   5.804  -2.217  -3.697
  226   2HD   ARG  34          1HD       ARG  34   4.044  -2.324  -3.642
  227    HE   ARG  34           HE       ARG  34   4.656   0.241  -2.851
  228   1HH1  ARG  34          1HH1      ARG  34   5.275  -1.708  -5.691
  229   2HH1  ARG  34          2HH1      ARG  34   5.196  -0.370  -6.786
  230   1HH2  ARG  34          1HH2      ARG  34   4.527   2.006  -4.281
  231   2HH2  ARG  34          2HH2      ARG  34   4.776   1.754  -5.982
  232    HA   PRO  35           HA       PRO  35   2.313  -8.040  -1.534
  233   1HB   PRO  35          2HB       PRO  35   4.604  -9.278  -2.470
  234   2HB   PRO  35          1HB       PRO  35   3.202  -8.861  -3.461
  235   1HG   PRO  35          2HG       PRO  35   5.790  -7.410  -3.127
  236   2HG   PRO  35          1HG       PRO  35   4.813  -7.642  -4.588
  237   1HD   PRO  35          2HD       PRO  35   4.816  -5.317  -3.239
  238   2HD   PRO  35          1HD       PRO  35   3.352  -5.932  -4.028
  239    H    LYS  36           H        LYS  36   2.944  -9.703  -0.058
  240    HA   LYS  36           HA       LYS  36   4.491  -8.692   2.137
  241   1HB   LYS  36          2HB       LYS  36   2.389 -10.119   2.300
  242   2HB   LYS  36          1HB       LYS  36   3.389 -11.484   1.823
  243   1HG   LYS  36          2HG       LYS  36   3.177 -11.510   4.195
  244   2HG   LYS  36          1HG       LYS  36   4.832 -11.037   3.805
  245   1HD   LYS  36          2HD       LYS  36   4.345  -8.733   4.249
  246   2HD   LYS  36          1HD       LYS  36   2.623  -9.079   4.421
  247   1HE   LYS  36          2HE       LYS  36   3.176 -10.521   6.374
  248   2HE   LYS  36          1HE       LYS  36   4.851  -9.986   6.238
  249   1HZ   LYS  36          1HZ       LYS  36   2.844  -8.753   7.645
  250   2HZ   LYS  36          2HZ       LYS  36   3.052  -7.779   6.278
  251   3HZ   LYS  36          3HZ       LYS  36   4.368  -8.108   7.290
  252    H    GLY  37           H        GLY  37   6.617  -8.780   2.169
  253   1HA   GLY  37          2HA       GLY  37   8.657  -9.994   2.319
  254   2HA   GLY  37          1HA       GLY  37   7.972 -11.212   1.248
  255    H    TRP  38           H        TRP  38   8.166  -7.689   0.965
  256    HA   TRP  38           HA       TRP  38   9.030  -7.904  -1.764
  257   1HB   TRP  38          2HB       TRP  38   8.875  -5.462  -1.795
  258   2HB   TRP  38          1HB       TRP  38   7.425  -6.163  -1.092
  259    HD1  TRP  38           HD       TRP  38  10.748  -4.602   0.195
  260    HE1  TRP  38           1HE      TRP  38  10.222  -3.260   2.321
  261    HE3  TRP  38           3HE      TRP  38   5.756  -5.637   0.604
  262    HZ2  TRP  38           2HZ      TRP  38   7.991  -2.703   3.957
  263    HZ3  TRP  38           3HZ      TRP  38   4.500  -4.657   2.478
  264    HH2  TRP  38           HH       TRP  38   5.595  -3.221   4.119
  Start of MODEL   10
    1   1H    LYS   1          1HT       LYS   1 -12.980  -5.728  -0.787
    2   2H    LYS   1          2HT       LYS   1 -14.346  -4.800  -0.426
    3    H    LYS   1           H        LYS   1 -13.175  -4.975   0.650
    4   3H    LYS   1          3HT       LYS   1 -13.056  -4.866   0.666
    5    HA   LYS   1           HA       LYS   1 -12.499  -3.915  -2.034
    6   1HB   LYS   1          2HB       LYS   1 -14.607  -2.793  -1.331
    7   2HB   LYS   1          1HB       LYS   1 -13.806  -2.249   0.136
    8   1HG   LYS   1          2HG       LYS   1 -12.212  -0.970  -1.248
    9   2HG   LYS   1          1HG       LYS   1 -13.109  -1.461  -2.686
   10   1HD   LYS   1          2HD       LYS   1 -13.800   0.758  -2.016
   11   2HD   LYS   1          1HD       LYS   1 -15.125  -0.377  -1.758
   12   1HE   LYS   1          2HE       LYS   1 -14.967   1.118   0.131
   13   2HE   LYS   1          1HE       LYS   1 -14.507  -0.508   0.629
   14   1HZ   LYS   1          1HZ       LYS   1 -12.773   0.590   1.528
   15   2HZ   LYS   1          2HZ       LYS   1 -12.902   1.905   0.480
   16   3HZ   LYS   1          3HZ       LYS   1 -12.126   0.491  -0.034
   17    H    CYS   2           H        CYS   2 -10.358  -3.763  -1.975
   18    HA   CYS   2           HA       CYS   2  -8.993  -2.287   0.072
   19   1HB   CYS   2          2HB       CYS   2  -7.471  -4.204   0.672
   20   2HB   CYS   2          1HB       CYS   2  -9.109  -4.341   1.302
   21    H    LEU   3           H        LEU   3  -6.681  -2.167  -0.398
   22    HA   LEU   3           HA       LEU   3  -6.258  -1.799  -3.209
   23   1HB   LEU   3          2HB       LEU   3  -4.430  -1.423  -0.842
   24   2HB   LEU   3          1HB       LEU   3  -4.108  -0.870  -2.467
   25    HG   LEU   3           HG       LEU   3  -6.362   0.083  -0.715
   26   1HD1  LEU   3          1HD1      LEU   3  -4.415   2.041  -1.562
   27   2HD1  LEU   3          2HD1      LEU   3  -3.679   0.748  -0.615
   28   3HD1  LEU   3          3HD1      LEU   3  -5.023   1.675   0.052
   29   1HD2  LEU   3          1HD2      LEU   3  -7.060   1.465  -2.419
   30   2HD2  LEU   3          2HD2      LEU   3  -6.586   0.025  -3.320
   31   3HD2  LEU   3          3HD2      LEU   3  -5.502   1.414  -3.245
   32    H    ALA   4           H        ALA   4  -5.246  -3.156  -4.563
   33    HA   ALA   4           HA       ALA   4  -4.312  -5.699  -3.601
   34   1HB   ALA   4          1HB       ALA   4  -5.608  -5.364  -5.719
   35   2HB   ALA   4          2HB       ALA   4  -4.139  -6.325  -5.887
   36   3HB   ALA   4          3HB       ALA   4  -4.157  -4.643  -6.415
   37    H    GLU   5           H        GLU   5  -2.289  -6.247  -5.426
   38    HA   GLU   5           HA       GLU   5  -0.027  -5.399  -4.007
   39   1HB   GLU   5          2HB       GLU   5   1.250  -6.471  -5.908
   40   2HB   GLU   5          1HB       GLU   5   0.108  -7.504  -5.066
   41   1HG   GLU   5          2HG       GLU   5  -0.645  -6.102  -7.606
   42   2HG   GLU   5          1HG       GLU   5   0.235  -7.627  -7.623
   43    H    ALA   6           H        ALA   6   1.233  -3.751  -4.164
   44    HA   ALA   6           HA       ALA   6   2.236  -1.833  -4.822
   45   1HB   ALA   6          1HB       ALA   6   3.260  -1.983  -6.792
   46   2HB   ALA   6          2HB       ALA   6   1.733  -1.977  -7.676
   47   3HB   ALA   6          3HB       ALA   6   2.371  -3.488  -7.028
   48    H    ALA   7           H        ALA   7  -0.288  -1.483  -3.915
   49    HA   ALA   7           HA       ALA   7  -1.405   0.512  -5.782
   50   1HB   ALA   7          1HB       ALA   7  -3.326  -0.118  -3.805
   51   2HB   ALA   7          2HB       ALA   7  -2.673  -1.638  -4.417
   52   3HB   ALA   7          3HB       ALA   7  -3.376  -0.468  -5.534
   53    H    ASP   8           H        ASP   8  -1.329   2.568  -5.177
   54    HA   ASP   8           HA       ASP   8  -0.011   3.491  -2.931
   55   1HB   ASP   8          2HB       ASP   8  -2.108   4.938  -4.562
   56   2HB   ASP   8          1HB       ASP   8  -0.961   5.704  -3.468
   57    H    CYS   9           H        CYS   9  -0.490   3.798  -0.890
   58    HA   CYS   9           HA       CYS   9  -3.305   3.742  -0.042
   59   1HB   CYS   9          2HB       CYS   9  -2.229   2.815   2.165
   60   2HB   CYS   9          1HB       CYS   9  -2.585   1.734   0.827
   61    H    SER  10           H        SER  10  -3.793   4.874   1.886
   62    HA   SER  10           HA       SER  10  -1.909   6.695   3.055
   63   1HB   SER  10          2HB       SER  10  -2.432   7.903   0.969
   64   2HB   SER  10          1HB       SER  10  -4.153   7.788   1.328
   65    HG   SER  10           HG       SER  10  -3.459   9.793   1.980
   66    HA   PRO  11           HA       PRO  11  -4.510   6.061   6.538
   67   1HB   PRO  11          2HB       PRO  11  -4.333   8.640   7.605
   68   2HB   PRO  11          1HB       PRO  11  -3.217   7.309   7.917
   69   1HG   PRO  11          2HG       PRO  11  -2.973   9.577   5.994
   70   2HG   PRO  11          1HG       PRO  11  -1.721   8.792   6.968
   71   1HD   PRO  11          2HD       PRO  11  -1.935   8.298   4.363
   72   2HD   PRO  11          1HD       PRO  11  -1.524   7.002   5.509
   73    H    TRP  12           H        TRP  12  -5.073   8.929   4.550
   74    HA   TRP  12           HA       TRP  12  -7.937   8.696   5.195
   75   1HB   TRP  12          2HB       TRP  12  -6.412  11.240   4.588
   76   2HB   TRP  12          1HB       TRP  12  -8.151  11.130   4.829
   77    HD1  TRP  12           HD       TRP  12  -8.964  10.444   7.368
   78    HE1  TRP  12           1HE      TRP  12  -7.871  10.973   9.636
   79    HE3  TRP  12           3HE      TRP  12  -4.253  11.600   5.750
   80    HZ2  TRP  12           2HZ      TRP  12  -5.349  11.781  10.612
   81    HZ3  TRP  12           3HZ      TRP  12  -2.561  12.246   7.416
   82    HH2  TRP  12           HH       TRP  12  -3.100  12.335   9.796
   83    H    SER  13           H        SER  13  -5.616   9.826   2.752
   84    HA   SER  13           HA       SER  13  -7.636   9.636   0.681
   85   1HB   SER  13          2HB       SER  13  -5.535  10.345  -0.733
   86   2HB   SER  13          1HB       SER  13  -6.330  11.514   0.321
   87    HG   SER  13           HG       SER  13  -3.944  11.320   0.465
   88    H    GLY  14           H        GLY  14  -7.267   7.145   1.733
   89   1HA   GLY  14          2HA       GLY  14  -6.496   5.651  -0.569
   90   2HA   GLY  14          1HA       GLY  14  -5.283   5.523   0.696
   91    H    ASP  15           H        ASP  15  -7.064   3.494  -0.463
   92    HA   ASP  15           HA       ASP  15  -8.964   2.826   1.612
   93   1HB   ASP  15          2HB       ASP  15  -9.150   2.311  -0.934
   94   2HB   ASP  15          1HB       ASP  15  -8.075   0.968  -0.585
   95    H    SER  16           H        SER  16  -8.848   0.382   2.327
   96    HA   SER  16           HA       SER  16  -6.343   0.097   3.733
   97   1HB   SER  16          2HB       SER  16  -8.562  -1.926   3.700
   98   2HB   SER  16          1HB       SER  16  -7.394  -1.609   4.979
   99    HG   SER  16           HG       SER  16  -8.820   0.613   4.399
  100    H    CYS  17           H        CYS  17  -4.791  -1.440   3.359
  101    HA   CYS  17           HA       CYS  17  -4.590  -2.469   0.707
  102   1HB   CYS  17          2HB       CYS  17  -2.912  -3.166   3.134
  103   2HB   CYS  17          1HB       CYS  17  -2.488  -3.468   1.454
  104    H    CYS  18           H        CYS  18  -4.775  -4.575  -0.025
  105    HA   CYS  18           HA       CYS  18  -6.534  -6.324   1.378
  106   1HB   CYS  18          2HB       CYS  18  -4.804  -6.790  -1.069
  107   2HB   CYS  18          1HB       CYS  18  -5.974  -7.949  -0.454
  108    H    LYS  19           H        LYS  19  -6.076  -8.229   2.422
  109    HA   LYS  19           HA       LYS  19  -3.451  -8.364   3.575
  110   1HB   LYS  19          2HB       LYS  19  -4.319 -10.077   4.997
  111   2HB   LYS  19          1HB       LYS  19  -5.505  -8.801   4.906
  112   1HG   LYS  19          2HG       LYS  19  -5.666 -11.289   3.229
  113   2HG   LYS  19          1HG       LYS  19  -6.373 -11.174   4.839
  114   1HD   LYS  19          2HD       LYS  19  -7.802  -9.357   4.120
  115   2HD   LYS  19          1HD       LYS  19  -7.034  -9.346   2.531
  116   1HE   LYS  19          2HE       LYS  19  -9.185 -10.501   2.466
  117   2HE   LYS  19          1HE       LYS  19  -7.856 -11.602   2.106
  118   1HZ   LYS  19          1HZ       LYS  19  -9.778 -12.153   3.850
  119   2HZ   LYS  19          2HZ       LYS  19  -8.658 -11.439   4.895
  120   3HZ   LYS  19          3HZ       LYS  19  -8.213 -12.785   3.972
  121    HA   PRO  20           HA       PRO  20  -2.224  -9.485   4.427
  122   1HB   PRO  20          2HB       PRO  20   0.002 -10.945   4.613
  123   2HB   PRO  20          1HB       PRO  20  -1.587 -11.677   4.863
  124   1HG   PRO  20          2HG       PRO  20   0.281 -11.983   2.597
  125   2HG   PRO  20          1HG       PRO  20  -1.019 -13.058   3.133
  126   1HD   PRO  20          2HD       PRO  20  -1.074 -11.041   1.039
  127   2HD   PRO  20          1HD       PRO  20  -2.316 -12.240   1.459
  128    H    TYR  21           H        TYR  21  -1.793  -8.091   1.844
  129    HA   TYR  21           HA       TYR  21   0.993  -7.534   1.519
  130   1HB   TYR  21          2HB       TYR  21  -1.344  -5.790   0.658
  131   2HB   TYR  21          1HB       TYR  21   0.307  -5.714   0.065
  132    HD1  TYR  21           1HD      TYR  21   0.703  -6.617  -1.992
  133    HD2  TYR  21           2HD      TYR  21  -2.424  -8.279   0.358
  134    HE1  TYR  21           1HE      TYR  21   0.139  -8.143  -3.828
  135    HE2  TYR  21           2HE      TYR  21  -2.995  -9.814  -1.475
  136    HH   TYR  21           HH       TYR  21  -2.003  -9.396  -4.586
  137    H    LEU  22           H        LEU  22   1.973  -5.402   1.890
  138    HA   LEU  22           HA       LEU  22   0.898  -4.139   4.326
  139   1HB   LEU  22          2HB       LEU  22   2.776  -5.541   4.906
  140   2HB   LEU  22          1HB       LEU  22   3.756  -4.813   3.649
  141    HG   LEU  22           HG       LEU  22   3.641  -2.647   4.888
  142   1HD1  LEU  22          1HD1      LEU  22   2.432  -4.313   7.090
  143   2HD1  LEU  22          2HD1      LEU  22   1.551  -3.138   6.113
  144   3HD1  LEU  22          3HD1      LEU  22   2.860  -2.603   7.166
  145   1HD2  LEU  22          1HD2      LEU  22   5.379  -3.180   6.336
  146   2HD2  LEU  22          2HD2      LEU  22   5.448  -4.465   5.131
  147   3HD2  LEU  22          3HD2      LEU  22   4.715  -4.772   6.705
  148    H    CYS  23           H        CYS  23   0.820  -1.975   4.366
  149    HA   CYS  23           HA       CYS  23   1.312  -0.506   1.954
  150   1HB   CYS  23          2HB       CYS  23  -0.596   0.010   3.425
  151   2HB   CYS  23          1HB       CYS  23   0.511   0.442   4.721
  152    H    SER  24           H        SER  24   3.270   0.208   1.390
  153    HA   SER  24           HA       SER  24   5.281   0.554   3.477
  154   1HB   SER  24          2HB       SER  24   6.913   0.613   1.603
  155   2HB   SER  24          1HB       SER  24   5.953  -0.865   1.631
  156    HG   SER  24           HG       SER  24   4.562   0.292   0.056
  157    H    CYS  25           H        CYS  25   5.931   2.443   4.160
  158    HA   CYS  25           HA       CYS  25   5.301   4.850   2.586
  159   1HB   CYS  25          2HB       CYS  25   5.417   4.509   5.596
  160   2HB   CYS  25          1HB       CYS  25   5.232   6.055   4.777
  161    H    ILE  26           H        ILE  26   7.458   4.082   1.672
  162    HA   ILE  26           HA       ILE  26   9.799   4.385   3.265
  163    HB   ILE  26           HB       ILE  26   9.711   2.880   1.369
  164   1HG1  ILE  26          2HG1      ILE  26  11.894   3.525   0.335
  165   2HG1  ILE  26          1HG1      ILE  26  11.778   5.067   1.162
  166   1HG2  ILE  26          1HG2      ILE  26   9.727   3.608  -0.912
  167   2HG2  ILE  26          2HG2      ILE  26   9.742   5.301  -0.416
  168   3HG2  ILE  26          3HG2      ILE  26   8.321   4.303  -0.105
  169   1HD1  ILE  26          1HD1      ILE  26  11.700   3.824   3.315
  170   2HD1  ILE  26          2HD1      ILE  26  13.211   3.650   2.423
  171   3HD1  ILE  26          3HD1      ILE  26  12.025   2.346   2.410
  172    H    PHE  27           H        PHE  27   8.630   6.559   3.818
  173    HA   PHE  27           HA       PHE  27   8.760   8.813   4.019
  174   1HB   PHE  27          2HB       PHE  27  11.482   8.211   2.881
  175   2HB   PHE  27          1HB       PHE  27  11.010   9.829   3.383
  176    HD1  PHE  27           1HD      PHE  27  10.696   6.388   4.835
  177    HD2  PHE  27           2HD      PHE  27  11.881  10.438   5.397
  178    HE1  PHE  27           1HE      PHE  27  11.356   5.870   7.147
  179    HE2  PHE  27           2HE      PHE  27  12.543   9.925   7.710
  180    HZ   PHE  27           HZ       PHE  27  12.282   7.640   8.588
  181    H    PHE  28           H        PHE  28   7.728   7.704   1.415
  182    HA   PHE  28           HA       PHE  28   7.940  10.222  -0.084
  183   1HB   PHE  28          2HB       PHE  28   8.104   7.425  -1.139
  184   2HB   PHE  28          1HB       PHE  28   7.459   8.701  -2.149
  185    HD1  PHE  28           1HD      PHE  28  10.413   8.355   0.132
  186    HD2  PHE  28           2HD      PHE  28   8.933   9.456  -3.701
  187    HE1  PHE  28           1HE      PHE  28  12.688   8.981  -0.561
  188    HE2  PHE  28           2HE      PHE  28  11.205  10.084  -4.402
  189    HZ   PHE  28           HZ       PHE  28  13.087   9.846  -2.831
  190    H    TYR  29           H        TYR  29   6.089  11.082  -0.691
  191    HA   TYR  29           HA       TYR  29   3.622   9.760   0.118
  192   1HB   TYR  29          2HB       TYR  29   4.066  12.125   0.809
  193   2HB   TYR  29          1HB       TYR  29   4.016  12.591  -0.887
  194    HD1  TYR  29           1HD      TYR  29   2.046  13.568  -1.576
  195    HD2  TYR  29           2HD      TYR  29   1.888  10.610   1.479
  196    HE1  TYR  29           1HE      TYR  29  -0.392  13.862  -1.423
  197    HE2  TYR  29           2HE      TYR  29  -0.549  10.894   1.637
  198    HH   TYR  29           HH       TYR  29  -2.195  13.496   0.219
  199    HA   PRO  30           HA       PRO  30   1.972   9.166  -0.146
  200   1HB   PRO  30          2HB       PRO  30   0.101   7.538  -1.181
  201   2HB   PRO  30          1HB       PRO  30  -0.044   9.296  -1.262
  202   1HG   PRO  30          2HG       PRO  30   0.526   7.369  -3.405
  203   2HG   PRO  30          1HG       PRO  30  -0.083   9.026  -3.519
  204   1HD   PRO  30          2HD       PRO  30   2.626   8.066  -3.870
  205   2HD   PRO  30          1HD       PRO  30   1.991   9.704  -4.116
  206    H    CYS  31           H        CYS  31   1.281   6.880   0.671
  207    HA   CYS  31           HA       CYS  31   3.582   5.160   0.423
  208   1HB   CYS  31          2HB       CYS  31   1.004   4.712   1.947
  209   2HB   CYS  31          1HB       CYS  31   2.509   3.828   2.160
  210    H    SER  32           H        SER  32   3.033   2.679   0.152
  211    HA   SER  32           HA       SER  32   0.779   2.217  -1.602
  212   1HB   SER  32          2HB       SER  32   2.396   1.198  -3.353
  213   2HB   SER  32          1HB       SER  32   2.183   2.949  -3.318
  214    HG   SER  32           HG       SER  32   4.109   3.111  -2.134
  215    H    CYS  33           H        CYS  33  -0.014   0.241  -1.342
  216    HA   CYS  33           HA       CYS  33   1.140  -1.574   0.505
  217   1HB   CYS  33          2HB       CYS  33  -0.974  -2.384  -1.475
  218   2HB   CYS  33          1HB       CYS  33  -0.762  -2.906   0.183
  219    H    ARG  34           H        ARG  34   2.553  -3.127   0.167
  220    HA   ARG  34           HA       ARG  34   3.107  -3.978  -2.602
  221   1HB   ARG  34          2HB       ARG  34   5.058  -3.797  -0.290
  222   2HB   ARG  34          1HB       ARG  34   5.439  -4.308  -1.928
  223   1HG   ARG  34          2HG       ARG  34   4.443  -1.568  -1.182
  224   2HG   ARG  34          1HG       ARG  34   6.138  -1.996  -1.422
  225   1HD   ARG  34          2HD       ARG  34   5.805  -2.441  -3.714
  226   2HD   ARG  34          1HD       ARG  34   4.050  -2.450  -3.534
  227    HE   ARG  34           HE       ARG  34   4.872   0.073  -2.776
  228   1HH1  ARG  34          1HH1      ARG  34   5.138  -1.880  -5.669
  229   2HH1  ARG  34          2HH1      ARG  34   5.032  -0.530  -6.747
  230   1HH2  ARG  34          1HH2      ARG  34   4.720   1.856  -4.183
  231   2HH2  ARG  34          2HH2      ARG  34   4.795   1.606  -5.901
  232    HA   PRO  35           HA       PRO  35   2.066  -8.080  -1.350
  233   1HB   PRO  35          2HB       PRO  35   4.407  -9.017  -2.897
  234   2HB   PRO  35          1HB       PRO  35   2.698  -9.419  -3.089
  235   1HG   PRO  35          2HG       PRO  35   3.981  -7.821  -4.827
  236   2HG   PRO  35          1HG       PRO  35   2.274  -7.582  -4.411
  237   1HD   PRO  35          2HD       PRO  35   4.679  -6.062  -3.509
  238   2HD   PRO  35          1HD       PRO  35   3.036  -5.483  -3.850
  239    H    LYS  36           H        LYS  36   2.799  -9.713   0.095
  240    HA   LYS  36           HA       LYS  36   4.928  -8.823   1.789
  241   1HB   LYS  36          2HB       LYS  36   2.834  -9.927   2.637
  242   2HB   LYS  36          1HB       LYS  36   3.427 -11.440   1.960
  243   1HG   LYS  36          2HG       LYS  36   5.431 -11.260   3.391
  244   2HG   LYS  36          1HG       LYS  36   4.753  -9.801   4.112
  245   1HD   LYS  36          2HD       LYS  36   3.558 -12.571   4.211
  246   2HD   LYS  36          1HD       LYS  36   4.355 -11.728   5.539
  247   1HE   LYS  36          2HE       LYS  36   1.769 -10.981   4.185
  248   2HE   LYS  36          1HE       LYS  36   1.981 -11.564   5.834
  249   1HZ   LYS  36          1HZ       LYS  36   2.395  -9.514   6.542
  250   2HZ   LYS  36          2HZ       LYS  36   1.898  -8.951   5.023
  251   3HZ   LYS  36          3HZ       LYS  36   3.541  -9.230   5.328
  252    H    GLY  37           H        GLY  37   6.982  -9.306   1.570
  253   1HA   GLY  37          2HA       GLY  37   8.425 -11.464   1.356
  254   2HA   GLY  37          1HA       GLY  37   7.763 -11.446  -0.277
  255    H    TRP  38           H        TRP  38   7.703  -8.537  -0.366
  256    HA   TRP  38           HA       TRP  38  10.462  -8.101  -1.145
  257   1HB   TRP  38          2HB       TRP  38   7.919  -6.519  -1.547
  258   2HB   TRP  38          1HB       TRP  38   9.499  -5.876  -1.973
  259    HD1  TRP  38           HD       TRP  38  10.270  -6.333  -4.358
  260    HE1  TRP  38           1HE      TRP  38   9.568  -7.922  -6.255
  261    HE3  TRP  38           3HE      TRP  38   6.796  -9.125  -1.847
  262    HZ2  TRP  38           2HZ      TRP  38   7.780 -10.068  -6.642
  263    HZ3  TRP  38           3HZ      TRP  38   5.635 -10.925  -3.056
  264    HH2  TRP  38           HH       TRP  38   6.116 -11.385  -5.405
  Start of MODEL   11
    1   1H    LYS   1          1HT       LYS   1 -13.748  -5.186   0.075
    2   2H    LYS   1          2HT       LYS   1 -14.701  -3.849   0.482
    3    H    LYS   1           H        LYS   1 -13.758  -4.064   1.459
    4   3H    LYS   1          3HT       LYS   1 -13.362  -4.257   1.435
    5    HA   LYS   1           HA       LYS   1 -12.822  -3.757  -1.369
    6   1HB   LYS   1          2HB       LYS   1 -13.569  -1.582   0.610
    7   2HB   LYS   1          1HB       LYS   1 -12.794  -1.291  -0.940
    8   1HG   LYS   1          2HG       LYS   1 -14.715  -2.101  -2.121
    9   2HG   LYS   1          1HG       LYS   1 -15.478  -2.611  -0.617
   10   1HD   LYS   1          2HD       LYS   1 -16.482  -0.546  -1.339
   11   2HD   LYS   1          1HD       LYS   1 -15.526  -0.236   0.109
   12   1HE   LYS   1          2HE       LYS   1 -14.120   0.123  -2.458
   13   2HE   LYS   1          1HE       LYS   1 -15.419   1.267  -2.134
   14   1HZ   LYS   1          1HZ       LYS   1 -13.747   0.905   0.150
   15   2HZ   LYS   1          2HZ       LYS   1 -14.152   2.328  -0.668
   16   3HZ   LYS   1          3HZ       LYS   1 -12.837   1.394  -1.191
   17    H    CYS   2           H        CYS   2 -10.643  -3.546  -1.589
   18    HA   CYS   2           HA       CYS   2  -8.982  -2.623   0.540
   19   1HB   CYS   2          2HB       CYS   2  -7.643  -4.674   0.791
   20   2HB   CYS   2          1HB       CYS   2  -9.291  -4.887   1.354
   21    H    LEU   3           H        LEU   3  -6.779  -2.444  -0.075
   22    HA   LEU   3           HA       LEU   3  -6.521  -1.791  -2.872
   23   1HB   LEU   3          2HB       LEU   3  -4.562  -1.568  -0.594
   24   2HB   LEU   3          1HB       LEU   3  -4.358  -0.868  -2.184
   25    HG   LEU   3           HG       LEU   3  -6.482  -0.131  -0.182
   26   1HD1  LEU   3          1HD1      LEU   3  -3.875   0.610  -0.186
   27   2HD1  LEU   3          2HD1      LEU   3  -5.198   1.577   0.468
   28   3HD1  LEU   3          3HD1      LEU   3  -4.603   1.884  -1.164
   29   1HD2  LEU   3          1HD2      LEU   3  -6.296   1.776  -2.242
   30   2HD2  LEU   3          2HD2      LEU   3  -7.648   0.702  -1.878
   31   3HD2  LEU   3          3HD2      LEU   3  -6.406   0.199  -3.025
   32    H    ALA   4           H        ALA   4  -5.465  -2.923  -4.398
   33    HA   ALA   4           HA       ALA   4  -4.507  -5.556  -3.759
   34   1HB   ALA   4          1HB       ALA   4  -3.938  -4.693  -6.457
   35   2HB   ALA   4          2HB       ALA   4  -5.607  -4.352  -5.999
   36   3HB   ALA   4          3HB       ALA   4  -4.978  -5.997  -5.884
   37    H    GLU   5           H        GLU   5  -2.491  -5.846  -5.653
   38    HA   GLU   5           HA       GLU   5  -0.217  -5.110  -4.160
   39   1HB   GLU   5          2HB       GLU   5  -0.055  -7.137  -5.324
   40   2HB   GLU   5          1HB       GLU   5  -0.642  -6.435  -6.821
   41   1HG   GLU   5          2HG       GLU   5   1.740  -6.989  -6.912
   42   2HG   GLU   5          1HG       GLU   5   1.442  -5.270  -7.147
   43    H    ALA   6           H        ALA   6   1.174  -3.540  -4.356
   44    HA   ALA   6           HA       ALA   6   2.074  -1.526  -4.883
   45   1HB   ALA   6          1HB       ALA   6   1.503  -2.685  -7.577
   46   2HB   ALA   6          2HB       ALA   6   3.052  -2.369  -6.796
   47   3HB   ALA   6          3HB       ALA   6   2.101  -1.032  -7.444
   48    H    ALA   7           H        ALA   7  -0.377  -1.287  -3.847
   49    HA   ALA   7           HA       ALA   7  -1.665   0.742  -5.573
   50   1HB   ALA   7          1HB       ALA   7  -2.855  -1.507  -4.752
   51   2HB   ALA   7          2HB       ALA   7  -3.727   0.000  -5.031
   52   3HB   ALA   7          3HB       ALA   7  -3.255  -0.456  -3.394
   53    H    ASP   8           H        ASP   8  -1.618   2.764  -4.890
   54    HA   ASP   8           HA       ASP   8  -0.360   3.626  -2.578
   55   1HB   ASP   8          2HB       ASP   8  -2.362   5.007  -4.361
   56   2HB   ASP   8          1HB       ASP   8  -1.574   5.822  -3.014
   57    H    CYS   9           H        CYS   9  -0.891   3.739  -0.548
   58    HA   CYS   9           HA       CYS   9  -3.697   3.334   0.220
   59   1HB   CYS   9          2HB       CYS   9  -2.390   2.690   2.464
   60   2HB   CYS   9          1HB       CYS   9  -2.708   1.528   1.181
   61    H    SER  10           H        SER  10  -4.486   4.369   2.074
   62    HA   SER  10           HA       SER  10  -3.005   6.707   3.023
   63   1HB   SER  10          2HB       SER  10  -4.546   7.449   1.200
   64   2HB   SER  10          1HB       SER  10  -5.901   6.793   2.117
   65    HG   SER  10           HG       SER  10  -4.679   9.171   2.370
   66    HA   PRO  11           HA       PRO  11  -4.105   5.064   6.954
   67   1HB   PRO  11          2HB       PRO  11  -4.262   7.502   8.297
   68   2HB   PRO  11          1HB       PRO  11  -2.799   6.544   8.056
   69   1HG   PRO  11          2HG       PRO  11  -3.797   8.901   6.523
   70   2HG   PRO  11          1HG       PRO  11  -2.136   8.466   6.961
   71   1HD   PRO  11          2HD       PRO  11  -3.055   8.095   4.482
   72   2HD   PRO  11          1HD       PRO  11  -1.949   6.927   5.239
   73    H    TRP  12           H        TRP  12  -6.035   7.688   5.586
   74    HA   TRP  12           HA       TRP  12  -8.367   6.541   6.959
   75   1HB   TRP  12          2HB       TRP  12  -7.823   9.501   6.639
   76   2HB   TRP  12          1HB       TRP  12  -9.299   8.802   7.291
   77    HD1  TRP  12           HD       TRP  12  -9.009   7.453   9.691
   78    HE1  TRP  12           1HE      TRP  12  -7.424   7.955  11.654
   79    HE3  TRP  12           3HE      TRP  12  -5.611  10.401   7.260
   80    HZ2  TRP  12           2HZ      TRP  12  -5.052   9.413  12.114
   81    HZ3  TRP  12           3HZ      TRP  12  -3.717  11.315   8.537
   82    HH2  TRP  12           HH       TRP  12  -3.445  10.830  10.915
   83    H    SER  13           H        SER  13  -7.323   8.729   4.361
   84    HA   SER  13           HA       SER  13  -9.810   8.389   2.946
   85   1HB   SER  13          2HB       SER  13  -8.602  10.550   2.954
   86   2HB   SER  13          1HB       SER  13  -7.266   9.792   2.089
   87    HG   SER  13           HG       SER  13  -8.745   9.353   0.384
   88    H    GLY  14           H        GLY  14  -8.901   5.885   3.190
   89   1HA   GLY  14          2HA       GLY  14  -8.703   4.988   0.531
   90   2HA   GLY  14          1HA       GLY  14  -7.098   4.974   1.242
   91    H    ASP  15           H        ASP  15  -8.846   2.789   0.319
   92    HA   ASP  15           HA       ASP  15  -9.853   1.333   2.528
   93   1HB   ASP  15          2HB       ASP  15  -8.998   0.494  -0.246
   94   2HB   ASP  15          1HB       ASP  15  -9.623  -0.651   0.932
   95    H    SER  16           H        SER  16  -8.963  -0.718   3.326
   96    HA   SER  16           HA       SER  16  -6.172  -0.430   3.983
   97   1HB   SER  16          2HB       SER  16  -7.994  -2.751   4.635
   98   2HB   SER  16          1HB       SER  16  -6.514  -2.284   5.467
   99    HG   SER  16           HG       SER  16  -8.063  -0.171   5.515
  100    H    CYS  17           H        CYS  17  -4.538  -1.927   3.412
  101    HA   CYS  17           HA       CYS  17  -4.647  -2.858   0.754
  102   1HB   CYS  17          2HB       CYS  17  -2.695  -3.784   2.867
  103   2HB   CYS  17          1HB       CYS  17  -2.448  -3.738   1.127
  104    H    CYS  18           H        CYS  18  -5.067  -4.831  -0.108
  105    HA   CYS  18           HA       CYS  18  -6.548  -6.774   1.310
  106   1HB   CYS  18          2HB       CYS  18  -4.989  -7.141  -1.266
  107   2HB   CYS  18          1HB       CYS  18  -6.270  -8.184  -0.678
  108    H    LYS  19           H        LYS  19  -5.903  -8.700   2.221
  109    HA   LYS  19           HA       LYS  19  -3.142  -8.754   2.993
  110   1HB   LYS  19          2HB       LYS  19  -5.293 -10.764   3.636
  111   2HB   LYS  19          1HB       LYS  19  -3.741 -10.599   4.420
  112   1HG   LYS  19          2HG       LYS  19  -6.089  -8.747   4.572
  113   2HG   LYS  19          1HG       LYS  19  -5.287  -9.614   5.882
  114   1HD   LYS  19          2HD       LYS  19  -4.109  -7.354   4.260
  115   2HD   LYS  19          1HD       LYS  19  -4.712  -7.237   5.913
  116   1HE   LYS  19          2HE       LYS  19  -2.977  -8.694   6.710
  117   2HE   LYS  19          1HE       LYS  19  -2.449  -9.038   5.062
  118   1HZ   LYS  19          1HZ       LYS  19  -1.118  -7.346   6.376
  119   2HZ   LYS  19          2HZ       LYS  19  -2.423  -6.294   6.164
  120   3HZ   LYS  19          3HZ       LYS  19  -1.591  -6.889   4.814
  121    HA   PRO  20           HA       PRO  20  -1.960 -10.181   3.844
  122   1HB   PRO  20          2HB       PRO  20   0.407 -11.402   3.677
  123   2HB   PRO  20          1HB       PRO  20  -1.083 -12.322   3.918
  124   1HG   PRO  20          2HG       PRO  20   0.580 -12.023   1.477
  125   2HG   PRO  20          1HG       PRO  20  -0.419 -13.389   1.998
  126   1HD   PRO  20          2HD       PRO  20  -1.109 -11.352   0.129
  127   2HD   PRO  20          1HD       PRO  20  -2.158 -12.638   0.756
  128    H    TYR  21           H        TYR  21  -1.733  -8.475   1.298
  129    HA   TYR  21           HA       TYR  21   0.979  -7.564   1.226
  130   1HB   TYR  21          2HB       TYR  21  -1.460  -6.051   0.242
  131   2HB   TYR  21          1HB       TYR  21   0.219  -5.752  -0.177
  132    HD1  TYR  21           1HD      TYR  21  -2.445  -8.346  -0.463
  133    HD2  TYR  21           2HD      TYR  21   1.190  -6.777  -2.014
  134    HE1  TYR  21           1HE      TYR  21  -2.616  -9.866  -2.387
  135    HE2  TYR  21           2HE      TYR  21   1.028  -8.289  -3.942
  136    HH   TYR  21           HH       TYR  21  -0.393  -9.648  -5.096
  137    H    LEU  22           H        LEU  22   1.600  -5.296   1.704
  138    HA   LEU  22           HA       LEU  22   0.186  -4.187   4.022
  139   1HB   LEU  22          2HB       LEU  22   1.916  -5.665   4.901
  140   2HB   LEU  22          1HB       LEU  22   3.128  -4.855   3.928
  141    HG   LEU  22           HG       LEU  22   2.687  -2.765   5.228
  142   1HD1  LEU  22          1HD1      LEU  22   0.374  -3.792   5.968
  143   2HD1  LEU  22          2HD1      LEU  22   1.248  -2.656   6.995
  144   3HD1  LEU  22          3HD1      LEU  22   1.337  -4.388   7.320
  145   1HD2  LEU  22          1HD2      LEU  22   3.448  -5.028   7.049
  146   2HD2  LEU  22          2HD2      LEU  22   4.060  -3.375   7.033
  147   3HD2  LEU  22          3HD2      LEU  22   4.490  -4.488   5.733
  148    H    CYS  23           H        CYS  23   0.344  -2.006   4.251
  149    HA   CYS  23           HA       CYS  23   1.021  -0.455   1.971
  150   1HB   CYS  23          2HB       CYS  23  -0.807   0.113   3.566
  151   2HB   CYS  23          1HB       CYS  23   0.402   0.437   4.801
  152    H    SER  24           H        SER  24   2.940   0.513   1.478
  153    HA   SER  24           HA       SER  24   4.973   0.514   3.600
  154   1HB   SER  24          2HB       SER  24   6.678   0.310   1.848
  155   2HB   SER  24          1HB       SER  24   5.530  -1.025   1.773
  156    HG   SER  24           HG       SER  24   4.440   0.236   0.098
  157    H    CYS  25           H        CYS  25   5.801   2.352   4.214
  158    HA   CYS  25           HA       CYS  25   5.345   4.761   2.588
  159   1HB   CYS  25          2HB       CYS  25   5.564   4.462   5.596
  160   2HB   CYS  25          1HB       CYS  25   5.520   6.010   4.761
  161    H    ILE  26           H        ILE  26   7.345   3.766   1.591
  162    HA   ILE  26           HA       ILE  26   9.816   3.787   2.968
  163    HB   ILE  26           HB       ILE  26  10.805   3.703   0.636
  164   1HG1  ILE  26          2HG1      ILE  26   7.882   3.487  -0.131
  165   2HG1  ILE  26          1HG1      ILE  26   8.924   4.858  -0.500
  166   1HG2  ILE  26          1HG2      ILE  26  10.325   1.739   2.038
  167   2HG2  ILE  26          2HG2      ILE  26  10.136   1.403   0.317
  168   3HG2  ILE  26          3HG2      ILE  26   8.714   1.648   1.330
  169   1HD1  ILE  26          1HD1      ILE  26   8.447   2.867  -2.211
  170   2HD1  ILE  26          2HD1      ILE  26   9.871   2.215  -1.400
  171   3HD1  ILE  26          3HD1      ILE  26   9.951   3.787  -2.195
  172    H    PHE  27           H        PHE  27   8.803   6.213   3.590
  173    HA   PHE  27           HA       PHE  27   9.302   8.409   3.755
  174   1HB   PHE  27          2HB       PHE  27  11.857   7.360   2.568
  175   2HB   PHE  27          1HB       PHE  27  11.660   9.061   2.964
  176    HD1  PHE  27           1HD      PHE  27  10.819   5.840   4.679
  177    HD2  PHE  27           2HD      PHE  27  12.732   9.636   4.893
  178    HE1  PHE  27           1HE      PHE  27  11.466   5.378   7.005
  179    HE2  PHE  27           2HE      PHE  27  13.383   9.179   7.221
  180    HZ   PHE  27           HZ       PHE  27  12.751   7.047   8.280
  181    H    PHE  28           H        PHE  28   8.029   7.380   1.234
  182    HA   PHE  28           HA       PHE  28   8.417   9.841  -0.306
  183   1HB   PHE  28          2HB       PHE  28   8.403   7.040  -1.380
  184   2HB   PHE  28          1HB       PHE  28   7.865   8.376  -2.378
  185    HD1  PHE  28           1HD      PHE  28   9.387   9.402  -3.736
  186    HD2  PHE  28           2HD      PHE  28  10.780   7.416  -0.242
  187    HE1  PHE  28           1HE      PHE  28  11.709   9.857  -4.408
  188    HE2  PHE  28           2HE      PHE  28  13.103   7.872  -0.903
  189    HZ   PHE  28           HZ       PHE  28  13.571   9.093  -2.989
  190    H    TYR  29           H        TYR  29   6.608  10.779  -0.949
  191    HA   TYR  29           HA       TYR  29   4.088   9.630  -0.053
  192   1HB   TYR  29          2HB       TYR  29   4.729  12.007   0.494
  193   2HB   TYR  29          1HB       TYR  29   4.594  12.378  -1.220
  194    HD1  TYR  29           1HD      TYR  29   2.637  13.422  -1.843
  195    HD2  TYR  29           2HD      TYR  29   2.530  10.652   1.386
  196    HE1  TYR  29           1HE      TYR  29   0.233  13.858  -1.555
  197    HE2  TYR  29           2HE      TYR  29   0.126  11.079   1.680
  198    HH   TYR  29           HH       TYR  29  -1.482  13.675   0.151
  199    HA   PRO  30           HA       PRO  30   2.380   9.165  -0.263
  200   1HB   PRO  30          2HB       PRO  30   0.332   7.695  -1.244
  201   2HB   PRO  30          1HB       PRO  30   0.356   9.460  -1.308
  202   1HG   PRO  30          2HG       PRO  30   0.586   7.538  -3.488
  203   2HG   PRO  30          1HG       PRO  30   0.315   9.284  -3.566
  204   1HD   PRO  30          2HD       PRO  30   2.807   7.781  -3.883
  205   2HD   PRO  30          1HD       PRO  30   2.459   9.474  -4.288
  206    H    CYS  31           H        CYS  31   1.510   7.046   0.715
  207    HA   CYS  31           HA       CYS  31   3.556   5.030   0.458
  208   1HB   CYS  31          2HB       CYS  31   1.036   4.991   2.138
  209   2HB   CYS  31          1HB       CYS  31   2.441   3.952   2.333
  210    H    SER  32           H        SER  32   3.114   2.807  -0.142
  211    HA   SER  32           HA       SER  32   0.517   2.320  -1.373
  212   1HB   SER  32          2HB       SER  32   1.992   1.280  -3.350
  213   2HB   SER  32          1HB       SER  32   1.427   2.950  -3.367
  214    HG   SER  32           HG       SER  32   3.393   3.655  -2.965
  215    H    CYS  33           H        CYS  33  -0.159   0.253  -1.304
  216    HA   CYS  33           HA       CYS  33   1.124  -1.548   0.456
  217   1HB   CYS  33          2HB       CYS  33  -1.013  -2.370  -1.504
  218   2HB   CYS  33          1HB       CYS  33  -0.695  -2.999   0.098
  219    H    ARG  34           H        ARG  34   2.425  -3.164   0.112
  220    HA   ARG  34           HA       ARG  34   3.066  -4.050  -2.625
  221   1HB   ARG  34          2HB       ARG  34   5.092  -3.720  -0.395
  222   2HB   ARG  34          1HB       ARG  34   5.417  -4.062  -2.083
  223   1HG   ARG  34          2HG       ARG  34   4.279  -1.488  -1.041
  224   2HG   ARG  34          1HG       ARG  34   5.974  -1.768  -1.436
  225   1HD   ARG  34          2HD       ARG  34   5.386  -2.190  -3.754
  226   2HD   ARG  34          1HD       ARG  34   3.673  -1.996  -3.374
  227    HE   ARG  34           HE       ARG  34   3.951   0.263  -3.491
  228   1HH1  ARG  34          1HH1      ARG  34   7.112  -1.197  -3.097
  229   2HH1  ARG  34          2HH1      ARG  34   7.957   0.314  -3.149
  230   1HH2  ARG  34          1HH2      ARG  34   5.045   2.255  -3.533
  231   2HH2  ARG  34          2HH2      ARG  34   6.777   2.288  -3.405
  232    HA   PRO  35           HA       PRO  35   2.655  -8.162  -0.982
  233   1HB   PRO  35          2HB       PRO  35   4.992  -9.461  -1.594
  234   2HB   PRO  35          1HB       PRO  35   3.696  -9.161  -2.756
  235   1HG   PRO  35          2HG       PRO  35   6.238  -7.650  -2.318
  236   2HG   PRO  35          1HG       PRO  35   5.448  -8.100  -3.842
  237   1HD   PRO  35          2HD       PRO  35   5.263  -5.624  -2.835
  238   2HD   PRO  35          1HD       PRO  35   3.913  -6.375  -3.703
  239    H    LYS  36           H        LYS  36   3.271  -9.580   0.731
  240    HA   LYS  36           HA       LYS  36   4.650  -8.219   2.852
  241   1HB   LYS  36          2HB       LYS  36   2.619  -9.541   3.284
  242   2HB   LYS  36          1HB       LYS  36   3.451 -10.997   2.756
  243   1HG   LYS  36          2HG       LYS  36   5.071 -10.679   4.614
  244   2HG   LYS  36          1HG       LYS  36   4.086  -9.327   5.178
  245   1HD   LYS  36          2HD       LYS  36   2.238 -10.752   5.624
  246   2HD   LYS  36          1HD       LYS  36   2.997 -12.107   4.784
  247   1HE   LYS  36          2HE       LYS  36   3.992 -10.817   7.323
  248   2HE   LYS  36          1HE       LYS  36   3.141 -12.358   7.215
  249   1HZ   LYS  36          1HZ       LYS  36   4.978 -13.414   6.532
  250   2HZ   LYS  36          2HZ       LYS  36   5.809 -12.094   7.186
  251   3HZ   LYS  36          3HZ       LYS  36   5.480 -12.148   5.528
  252    H    GLY  37           H        GLY  37   6.604  -8.117   1.584
  253   1HA   GLY  37          2HA       GLY  37   8.804  -9.221   2.436
  254   2HA   GLY  37          1HA       GLY  37   8.200 -10.570   1.474
  255    H    TRP  38           H        TRP  38   8.066  -7.093   0.952
  256    HA   TRP  38           HA       TRP  38   8.741  -7.329  -1.802
  257   1HB   TRP  38          2HB       TRP  38   8.613  -4.871  -1.816
  258   2HB   TRP  38          1HB       TRP  38   7.223  -5.578  -1.004
  259    HD1  TRP  38           HD       TRP  38  10.645  -4.039   0.025
  260    HE1  TRP  38           1HE      TRP  38  10.305  -2.732   2.209
  261    HE3  TRP  38           3HE      TRP  38   5.702  -5.074   0.832
  262    HZ2  TRP  38           2HZ      TRP  38   8.219  -2.199   4.034
  263    HZ3  TRP  38           3HZ      TRP  38   4.610  -4.123   2.821
  264    HH2  TRP  38           HH       TRP  38   5.844  -2.716   4.388
  Start of MODEL   12
    1   1H    LYS   1          1HT       LYS   1 -14.528  -5.466   0.581
    2   2H    LYS   1          2HT       LYS   1 -13.139  -5.645   1.528
    3    H    LYS   1           H        LYS   1 -13.547  -5.587   1.562
    4   3H    LYS   1          3HT       LYS   1 -13.236  -6.403   0.019
    5    HA   LYS   1           HA       LYS   1 -12.820  -4.520  -1.141
    6   1HB   LYS   1          2HB       LYS   1 -14.740  -3.300  -0.368
    7   2HB   LYS   1          1HB       LYS   1 -14.055  -3.125   1.241
    8   1HG   LYS   1          2HG       LYS   1 -13.866  -1.028   0.166
    9   2HG   LYS   1          1HG       LYS   1 -12.248  -1.725   0.227
   10   1HD   LYS   1          2HD       LYS   1 -12.693  -2.564  -2.135
   11   2HD   LYS   1          1HD       LYS   1 -14.096  -1.493  -2.134
   12   1HE   LYS   1          2HE       LYS   1 -11.198  -0.724  -1.816
   13   2HE   LYS   1          1HE       LYS   1 -12.269  -0.331  -3.159
   14   1HZ   LYS   1          1HZ       LYS   1 -13.640   0.918  -1.477
   15   2HZ   LYS   1          2HZ       LYS   1 -12.129   1.588  -1.825
   16   3HZ   LYS   1          3HZ       LYS   1 -12.356   0.723  -0.383
   17    H    CYS   2           H        CYS   2 -10.696  -4.182  -1.325
   18    HA   CYS   2           HA       CYS   2  -9.142  -2.996   0.758
   19   1HB   CYS   2          2HB       CYS   2  -7.520  -4.899   0.937
   20   2HB   CYS   2          1HB       CYS   2  -9.086  -5.212   1.672
   21    H    LEU   3           H        LEU   3  -6.915  -2.661   0.090
   22    HA   LEU   3           HA       LEU   3  -6.792  -1.915  -2.680
   23   1HB   LEU   3          2HB       LEU   3  -4.753  -1.701  -0.468
   24   2HB   LEU   3          1HB       LEU   3  -4.626  -0.946  -2.039
   25    HG   LEU   3           HG       LEU   3  -6.751  -0.338   0.009
   26   1HD1  LEU   3          1HD1      LEU   3  -4.777   1.689  -0.819
   27   2HD1  LEU   3          2HD1      LEU   3  -4.182   0.391   0.215
   28   3HD1  LEU   3          3HD1      LEU   3  -5.524   1.402   0.753
   29   1HD2  LEU   3          1HD2      LEU   3  -6.185   1.416  -2.319
   30   2HD2  LEU   3          2HD2      LEU   3  -7.695   1.133  -1.454
   31   3HD2  LEU   3          3HD2      LEU   3  -7.102  -0.062  -2.607
   32    H    ALA   4           H        ALA   4  -5.601  -2.856  -4.276
   33    HA   ALA   4           HA       ALA   4  -4.683  -5.542  -3.842
   34   1HB   ALA   4          1HB       ALA   4  -5.621  -4.052  -6.025
   35   2HB   ALA   4          2HB       ALA   4  -5.172  -5.757  -5.990
   36   3HB   ALA   4          3HB       ALA   4  -3.974  -4.538  -6.427
   37    H    GLU   5           H        GLU   5  -2.602  -5.725  -5.662
   38    HA   GLU   5           HA       GLU   5  -0.385  -5.013  -4.024
   39   1HB   GLU   5          2HB       GLU   5  -0.527  -7.123  -5.323
   40   2HB   GLU   5          1HB       GLU   5  -0.406  -6.188  -6.807
   41   1HG   GLU   5          2HG       GLU   5   1.811  -5.488  -6.261
   42   2HG   GLU   5          1HG       GLU   5   1.690  -6.195  -4.651
   43    H    ALA   6           H        ALA   6   0.974  -3.401  -4.208
   44    HA   ALA   6           HA       ALA   6   1.926  -1.438  -4.819
   45   1HB   ALA   6          1HB       ALA   6   1.361  -2.692  -7.460
   46   2HB   ALA   6          2HB       ALA   6   2.901  -2.235  -6.733
   47   3HB   ALA   6          3HB       ALA   6   1.847  -0.998  -7.420
   48    H    ALA   7           H        ALA   7  -0.626  -1.325  -3.829
   49    HA   ALA   7           HA       ALA   7  -1.972   0.666  -5.541
   50   1HB   ALA   7          1HB       ALA   7  -3.995  -0.005  -4.739
   51   2HB   ALA   7          2HB       ALA   7  -3.342  -0.482  -3.171
   52   3HB   ALA   7          3HB       ALA   7  -3.097  -1.515  -4.580
   53    H    ASP   8           H        ASP   8  -2.375   2.706  -4.861
   54    HA   ASP   8           HA       ASP   8  -0.832   3.869  -2.827
   55   1HB   ASP   8          2HB       ASP   8  -1.813   5.062  -4.811
   56   2HB   ASP   8          1HB       ASP   8  -3.385   4.974  -4.028
   57    H    CYS   9           H        CYS   9  -1.213   4.277  -0.688
   58    HA   CYS   9           HA       CYS   9  -3.862   3.538   0.342
   59   1HB   CYS   9          2HB       CYS   9  -2.362   2.924   2.469
   60   2HB   CYS   9          1HB       CYS   9  -2.797   1.763   1.225
   61    H    SER  10           H        SER  10  -4.717   4.676   1.921
   62    HA   SER  10           HA       SER  10  -3.309   6.670   3.417
   63   1HB   SER  10          2HB       SER  10  -3.625   7.891   1.299
   64   2HB   SER  10          1HB       SER  10  -5.354   7.550   1.352
   65    HG   SER  10           HG       SER  10  -4.435   9.670   2.207
   66    HA   PRO  11           HA       PRO  11  -6.479   5.369   6.209
   67   1HB   PRO  11          2HB       PRO  11  -6.075   7.997   7.518
   68   2HB   PRO  11          1HB       PRO  11  -5.916   6.369   8.184
   69   1HG   PRO  11          2HG       PRO  11  -3.754   7.827   7.663
   70   2HG   PRO  11          1HG       PRO  11  -3.780   6.085   7.327
   71   1HD   PRO  11          2HD       PRO  11  -4.097   8.377   5.424
   72   2HD   PRO  11          1HD       PRO  11  -3.161   6.879   5.236
   73    H    TRP  12           H        TRP  12  -6.690   8.857   5.384
   74    HA   TRP  12           HA       TRP  12  -9.609   8.594   5.497
   75   1HB   TRP  12          2HB       TRP  12  -7.910  11.095   5.412
   76   2HB   TRP  12          1HB       TRP  12  -9.664  11.052   5.543
   77    HD1  TRP  12           HD       TRP  12 -10.707  10.398   7.913
   78    HE1  TRP  12           1HE      TRP  12  -9.702  10.354  10.282
   79    HE3  TRP  12           3HE      TRP  12  -5.745  10.608   6.696
   80    HZ2  TRP  12           2HZ      TRP  12  -7.145  10.410  11.477
   81    HZ3  TRP  12           3HZ      TRP  12  -4.085  10.615   8.512
   82    HH2  TRP  12           HH       TRP  12  -4.772  10.519  10.853
   83    H    SER  13           H        SER  13  -7.499   8.034   3.216
   84    HA   SER  13           HA       SER  13  -9.309   8.855   1.115
   85   1HB   SER  13          2HB       SER  13  -6.451   9.866   1.085
   86   2HB   SER  13          1HB       SER  13  -7.646  10.091  -0.191
   87    HG   SER  13           HG       SER  13  -8.782  10.962   1.999
   88    H    GLY  14           H        GLY  14  -8.896   6.349   1.827
   89   1HA   GLY  14          2HA       GLY  14  -7.879   5.122  -0.521
   90   2HA   GLY  14          1HA       GLY  14  -6.757   4.919   0.813
   91    H    ASP  15           H        ASP  15  -6.967   2.890   1.428
   92    HA   ASP  15           HA       ASP  15  -9.338   2.019   2.751
   93   1HB   ASP  15          2HB       ASP  15  -9.628   1.603   0.137
   94   2HB   ASP  15          1HB       ASP  15  -8.604   0.215   0.474
   95    H    SER  16           H        SER  16  -8.929  -0.610   3.014
   96    HA   SER  16           HA       SER  16  -6.292  -0.716   4.262
   97   1HB   SER  16          2HB       SER  16  -8.349  -2.901   4.336
   98   2HB   SER  16          1HB       SER  16  -7.079  -2.559   5.503
   99    HG   SER  16           HG       SER  16  -9.394  -0.986   5.012
  100    H    CYS  17           H        CYS  17  -4.678  -2.042   3.571
  101    HA   CYS  17           HA       CYS  17  -4.732  -2.945   0.879
  102   1HB   CYS  17          2HB       CYS  17  -2.725  -3.752   2.989
  103   2HB   CYS  17          1HB       CYS  17  -2.485  -3.695   1.248
  104    H    CYS  18           H        CYS  18  -5.009  -4.980   0.027
  105    HA   CYS  18           HA       CYS  18  -6.396  -6.962   1.514
  106   1HB   CYS  18          2HB       CYS  18  -4.866  -7.297  -1.086
  107   2HB   CYS  18          1HB       CYS  18  -6.050  -8.421  -0.439
  108    H    LYS  19           H        LYS  19  -5.645  -8.860   2.430
  109    HA   LYS  19           HA       LYS  19  -2.888  -8.744   3.223
  110   1HB   LYS  19          2HB       LYS  19  -4.898 -10.889   3.872
  111   2HB   LYS  19          1HB       LYS  19  -3.395 -10.559   4.697
  112   1HG   LYS  19          2HG       LYS  19  -5.817  -8.783   4.637
  113   2HG   LYS  19          1HG       LYS  19  -5.212  -9.709   6.013
  114   1HD   LYS  19          2HD       LYS  19  -3.207  -8.379   6.093
  115   2HD   LYS  19          1HD       LYS  19  -3.657  -7.538   4.610
  116   1HE   LYS  19          2HE       LYS  19  -5.677  -6.682   5.798
  117   2HE   LYS  19          1HE       LYS  19  -5.042  -7.395   7.282
  118   1HZ   LYS  19          1HZ       LYS  19  -4.433  -5.104   7.213
  119   2HZ   LYS  19          2HZ       LYS  19  -3.790  -5.254   5.654
  120   3HZ   LYS  19          3HZ       LYS  19  -3.029  -6.016   6.960
  121    HA   PRO  20           HA       PRO  20  -1.584  -9.981   4.048
  122   1HB   PRO  20          2HB       PRO  20   0.858 -11.080   3.877
  123   2HB   PRO  20          1HB       PRO  20  -0.573 -12.048   4.246
  124   1HG   PRO  20          2HG       PRO  20   1.022 -11.920   1.764
  125   2HG   PRO  20          1HG       PRO  20  -0.004 -13.227   2.374
  126   1HD   PRO  20          2HD       PRO  20  -0.650 -11.221   0.411
  127   2HD   PRO  20          1HD       PRO  20  -1.669 -12.549   0.999
  128    H    TYR  21           H        TYR  21  -1.598  -8.300   1.603
  129    HA   TYR  21           HA       TYR  21   1.068  -7.275   1.273
  130   1HB   TYR  21          2HB       TYR  21  -1.541  -6.024   0.359
  131   2HB   TYR  21          1HB       TYR  21   0.079  -5.576  -0.155
  132    HD1  TYR  21           1HD      TYR  21  -2.120  -8.619  -0.070
  133    HD2  TYR  21           2HD      TYR  21   0.875  -6.405  -2.114
  134    HE1  TYR  21           1HE      TYR  21  -2.182 -10.246  -1.917
  135    HE2  TYR  21           2HE      TYR  21   0.819  -8.016  -3.956
  136    HH   TYR  21           HH       TYR  21  -0.011  -9.891  -4.728
  137    H    LEU  22           H        LEU  22   1.854  -5.270   1.882
  138    HA   LEU  22           HA       LEU  22   0.397  -3.979   4.091
  139   1HB   LEU  22          2HB       LEU  22   2.193  -5.355   4.982
  140   2HB   LEU  22          1HB       LEU  22   3.347  -4.584   3.910
  141    HG   LEU  22           HG       LEU  22   2.917  -2.426   5.099
  142   1HD1  LEU  22          1HD1      LEU  22   1.577  -4.075   7.218
  143   2HD1  LEU  22          2HD1      LEU  22   0.659  -3.231   5.970
  144   3HD1  LEU  22          3HD1      LEU  22   1.679  -2.319   7.085
  145   1HD2  LEU  22          1HD2      LEU  22   4.796  -3.031   6.111
  146   2HD2  LEU  22          2HD2      LEU  22   4.353  -4.736   6.017
  147   3HD2  LEU  22          3HD2      LEU  22   3.821  -3.761   7.388
  148    H    CYS  23           H        CYS  23   0.449  -1.792   4.187
  149    HA   CYS  23           HA       CYS  23   1.047  -0.337   1.820
  150   1HB   CYS  23          2HB       CYS  23  -0.789   0.305   3.321
  151   2HB   CYS  23          1HB       CYS  23   0.365   0.628   4.609
  152    H    SER  24           H        SER  24   2.987   0.441   1.217
  153    HA   SER  24           HA       SER  24   5.080   0.562   3.245
  154   1HB   SER  24          2HB       SER  24   6.653   0.716   1.337
  155   2HB   SER  24          1HB       SER  24   5.638  -0.722   1.257
  156    HG   SER  24           HG       SER  24   4.290   0.472  -0.222
  157    H    CYS  25           H        CYS  25   5.677   2.366   4.108
  158    HA   CYS  25           HA       CYS  25   5.201   4.914   2.705
  159   1HB   CYS  25          2HB       CYS  25   4.895   4.210   5.626
  160   2HB   CYS  25          1HB       CYS  25   5.148   5.870   5.105
  161    H    ILE  26           H        ILE  26   7.452   3.895   2.018
  162    HA   ILE  26           HA       ILE  26   9.620   4.090   3.836
  163    HB   ILE  26           HB       ILE  26  11.034   3.970   1.740
  164   1HG1  ILE  26          2HG1      ILE  26   8.337   3.522   0.437
  165   2HG1  ILE  26          1HG1      ILE  26   9.316   4.969   0.228
  166   1HG2  ILE  26          1HG2      ILE  26  10.713   1.656   1.555
  167   2HG2  ILE  26          2HG2      ILE  26   8.993   1.779   1.921
  168   3HG2  ILE  26          3HG2      ILE  26  10.187   2.060   3.189
  169   1HD1  ILE  26          1HD1      ILE  26  10.880   3.881  -1.064
  170   2HD1  ILE  26          2HD1      ILE  26   9.379   3.095  -1.555
  171   3HD1  ILE  26          3HD1      ILE  26  10.464   2.293  -0.417
  172    H    PHE  27           H        PHE  27   8.367   6.483   4.111
  173    HA   PHE  27           HA       PHE  27   8.710   8.716   4.231
  174   1HB   PHE  27          2HB       PHE  27  11.505   7.764   3.654
  175   2HB   PHE  27          1HB       PHE  27  11.146   9.468   3.879
  176    HD1  PHE  27           1HD      PHE  27  10.131   6.315   5.625
  177    HD2  PHE  27           2HD      PHE  27  11.788  10.223   5.933
  178    HE1  PHE  27           1HE      PHE  27  10.324   6.037   8.061
  179    HE2  PHE  27           2HE      PHE  27  11.984   9.951   8.369
  180    HZ   PHE  27           HZ       PHE  27  11.253   7.856   9.437
  181    H    PHE  28           H        PHE  28   8.098   7.408   1.576
  182    HA   PHE  28           HA       PHE  28   8.692   9.765  -0.070
  183   1HB   PHE  28          2HB       PHE  28   8.894   6.874  -0.826
  184   2HB   PHE  28          1HB       PHE  28   8.500   8.069  -2.044
  185    HD1  PHE  28           1HD      PHE  28  10.985   7.844   0.752
  186    HD2  PHE  28           2HD      PHE  28  10.261   8.616  -3.368
  187    HE1  PHE  28           1HE      PHE  28  13.375   8.320   0.426
  188    HE2  PHE  28           2HE      PHE  28  12.650   9.094  -3.703
  189    HZ   PHE  28           HZ       PHE  28  14.212   8.945  -1.804
  190    H    TYR  29           H        TYR  29   7.031  10.600  -1.119
  191    HA   TYR  29           HA       TYR  29   4.388   9.505  -0.580
  192   1HB   TYR  29          2HB       TYR  29   4.900  11.936  -0.181
  193   2HB   TYR  29          1HB       TYR  29   5.122  12.124  -1.916
  194    HD1  TYR  29           1HD      TYR  29   3.334  12.982  -3.090
  195    HD2  TYR  29           2HD      TYR  29   2.566  10.725   0.435
  196    HE1  TYR  29           1HE      TYR  29   0.926  13.402  -3.352
  197    HE2  TYR  29           2HE      TYR  29   0.155  11.137   0.180
  198    HH   TYR  29           HH       TYR  29  -1.402  11.696  -1.946
  199    HA   PRO  30           HA       PRO  30   2.712   9.077  -1.067
  200   1HB   PRO  30          2HB       PRO  30   0.779   7.648  -2.253
  201   2HB   PRO  30          1HB       PRO  30   0.996   9.370  -2.586
  202   1HG   PRO  30          2HG       PRO  30   1.542   7.056  -4.313
  203   2HG   PRO  30          1HG       PRO  30   1.323   8.756  -4.752
  204   1HD   PRO  30          2HD       PRO  30   3.795   7.272  -4.362
  205   2HD   PRO  30          1HD       PRO  30   3.569   8.911  -5.008
  206    H    CYS  31           H        CYS  31   1.660   7.200   0.072
  207    HA   CYS  31           HA       CYS  31   3.518   5.000   0.266
  208   1HB   CYS  31          2HB       CYS  31   0.920   5.549   1.712
  209   2HB   CYS  31          1HB       CYS  31   1.987   4.204   2.067
  210    H    SER  32           H        SER  32   2.969   2.780  -0.157
  211    HA   SER  32           HA       SER  32   0.422   2.299  -1.477
  212   1HB   SER  32          2HB       SER  32   1.740   1.241  -3.445
  213   2HB   SER  32          1HB       SER  32   1.546   2.993  -3.399
  214    HG   SER  32           HG       SER  32   3.641   3.082  -2.400
  215    H    CYS  33           H        CYS  33  -0.323   0.281  -1.207
  216    HA   CYS  33           HA       CYS  33   0.978  -1.531   0.526
  217   1HB   CYS  33          2HB       CYS  33  -1.208  -2.339  -1.390
  218   2HB   CYS  33          1HB       CYS  33  -0.876  -2.960   0.213
  219    H    ARG  34           H        ARG  34   2.418  -3.023   0.118
  220    HA   ARG  34           HA       ARG  34   2.939  -3.806  -2.678
  221   1HB   ARG  34          2HB       ARG  34   4.913  -3.561  -0.395
  222   2HB   ARG  34          1HB       ARG  34   5.296  -4.104  -2.019
  223   1HG   ARG  34          2HG       ARG  34   4.213  -1.377  -1.373
  224   2HG   ARG  34          1HG       ARG  34   5.929  -1.755  -1.540
  225   1HD   ARG  34          2HD       ARG  34   5.726  -2.228  -3.812
  226   2HD   ARG  34          1HD       ARG  34   3.978  -2.429  -3.710
  227    HE   ARG  34           HE       ARG  34   4.454   0.187  -3.003
  228   1HH1  ARG  34          1HH1      ARG  34   5.151  -1.795  -5.803
  229   2HH1  ARG  34          2HH1      ARG  34   4.976  -0.491  -6.929
  230   1HH2  ARG  34          1HH2      ARG  34   4.201   1.902  -4.468
  231   2HH2  ARG  34          2HH2      ARG  34   4.433   1.623  -6.169
  232    HA   PRO  35           HA       PRO  35   2.342  -8.009  -1.533
  233   1HB   PRO  35          2HB       PRO  35   4.498  -9.254  -2.700
  234   2HB   PRO  35          1HB       PRO  35   3.041  -8.763  -3.569
  235   1HG   PRO  35          2HG       PRO  35   5.694  -7.407  -3.391
  236   2HG   PRO  35          1HG       PRO  35   4.602  -7.562  -4.779
  237   1HD   PRO  35          2HD       PRO  35   4.794  -5.289  -3.333
  238   2HD   PRO  35          1HD       PRO  35   3.278  -5.803  -4.092
  239    H    LYS  36           H        LYS  36   3.036  -9.593  -0.063
  240    HA   LYS  36           HA       LYS  36   4.853  -8.613   1.922
  241   1HB   LYS  36          2HB       LYS  36   2.834  -9.788   2.591
  242   2HB   LYS  36          1HB       LYS  36   3.332 -11.216   1.694
  243   1HG   LYS  36          2HG       LYS  36   5.265 -11.462   3.202
  244   2HG   LYS  36          1HG       LYS  36   4.690 -10.074   4.129
  245   1HD   LYS  36          2HD       LYS  36   2.668 -11.243   4.716
  246   2HD   LYS  36          1HD       LYS  36   3.097 -12.593   3.665
  247   1HE   LYS  36          2HE       LYS  36   4.621 -11.708   6.113
  248   2HE   LYS  36          1HE       LYS  36   3.543 -13.099   6.020
  249   1HZ   LYS  36          1HZ       LYS  36   5.043 -13.943   4.214
  250   2HZ   LYS  36          2HZ       LYS  36   5.726 -13.912   5.761
  251   3HZ   LYS  36          3HZ       LYS  36   6.134 -12.719   4.632
  252    H    GLY  37           H        GLY  37   6.958  -8.869   1.869
  253   1HA   GLY  37          2HA       GLY  37   8.592 -10.900   1.868
  254   2HA   GLY  37          1HA       GLY  37   8.113 -10.966   0.176
  255    H    TRP  38           H        TRP  38   7.837  -8.044   0.053
  256    HA   TRP  38           HA       TRP  38  10.642  -7.424  -0.412
  257   1HB   TRP  38          2HB       TRP  38   8.070  -6.058  -1.229
  258   2HB   TRP  38          1HB       TRP  38   9.651  -5.334  -1.488
  259    HD1  TRP  38           HD       TRP  38  10.728  -5.840  -3.738
  260    HE1  TRP  38           1HE      TRP  38  10.388  -7.575  -5.608
  261    HE3  TRP  38           3HE      TRP  38   7.180  -8.764  -1.505
  262    HZ2  TRP  38           2HZ      TRP  38   8.824  -9.874  -6.077
  263    HZ3  TRP  38           3HZ      TRP  38   6.313 -10.713  -2.733
  264    HH2  TRP  38           HH       TRP  38   7.118 -11.253  -4.974
  Start of MODEL   13
    1   1H    LYS   1          1HT       LYS   1 -14.582  -3.610  -0.276
    2   2H    LYS   1          2HT       LYS   1 -13.354  -3.924   0.844
    3    H    LYS   1           H        LYS   1 -13.689  -3.734   0.812
    4   3H    LYS   1          3HT       LYS   1 -13.755  -5.085  -0.319
    5    HA   LYS   1           HA       LYS   1 -12.548  -4.129  -1.916
    6   1HB   LYS   1          2HB       LYS   1 -13.197  -1.447  -0.660
    7   2HB   LYS   1          1HB       LYS   1 -12.422  -1.695  -2.217
    8   1HG   LYS   1          2HG       LYS   1 -14.502  -2.867  -2.967
    9   2HG   LYS   1          1HG       LYS   1 -15.255  -2.355  -1.458
   10   1HD   LYS   1          2HD       LYS   1 -14.080  -0.507  -3.538
   11   2HD   LYS   1          1HD       LYS   1 -15.795  -0.863  -3.351
   12   1HE   LYS   1          2HE       LYS   1 -15.744   1.038  -2.125
   13   2HE   LYS   1          1HE       LYS   1 -15.244  -0.072  -0.852
   14   1HZ   LYS   1          1HZ       LYS   1 -12.927   0.655  -2.177
   15   2HZ   LYS   1          2HZ       LYS   1 -13.418   1.152  -0.637
   16   3HZ   LYS   1          3HZ       LYS   1 -13.812   2.086  -1.994
   17    H    CYS   2           H        CYS   2 -10.320  -3.686  -2.043
   18    HA   CYS   2           HA       CYS   2  -8.898  -2.597   0.190
   19   1HB   CYS   2          2HB       CYS   2  -7.551  -4.606   0.660
   20   2HB   CYS   2          1HB       CYS   2  -9.241  -4.822   1.081
   21    H    LEU   3           H        LEU   3  -6.664  -2.368  -0.222
   22    HA   LEU   3           HA       LEU   3  -6.127  -1.852  -3.002
   23   1HB   LEU   3          2HB       LEU   3  -4.365  -1.531  -0.577
   24   2HB   LEU   3          1HB       LEU   3  -4.073  -0.847  -2.160
   25    HG   LEU   3           HG       LEU   3  -6.380  -0.144  -0.355
   26   1HD1  LEU   3          1HD1      LEU   3  -4.559   1.986  -1.033
   27   2HD1  LEU   3          2HD1      LEU   3  -3.733   0.668  -0.204
   28   3HD1  LEU   3          3HD1      LEU   3  -5.127   1.445   0.547
   29   1HD2  LEU   3          1HD2      LEU   3  -7.355   0.689  -2.167
   30   2HD2  LEU   3          2HD2      LEU   3  -5.979   0.226  -3.168
   31   3HD2  LEU   3          3HD2      LEU   3  -5.992   1.791  -2.355
   32    H    ALA   4           H        ALA   4  -5.073  -3.145  -4.369
   33    HA   ALA   4           HA       ALA   4  -4.076  -5.690  -3.486
   34   1HB   ALA   4          1HB       ALA   4  -3.382  -5.415  -6.151
   35   2HB   ALA   4          2HB       ALA   4  -4.856  -4.459  -5.989
   36   3HB   ALA   4          3HB       ALA   4  -4.850  -6.159  -5.518
   37    H    GLU   5           H        GLU   5  -1.981  -6.166  -5.224
   38    HA   GLU   5           HA       GLU   5   0.194  -5.120  -3.744
   39   1HB   GLU   5          2HB       GLU   5   1.571  -6.227  -5.631
   40   2HB   GLU   5          1HB       GLU   5   0.637  -7.243  -4.547
   41   1HG   GLU   5          2HG       GLU   5  -0.567  -6.373  -7.131
   42   2HG   GLU   5          1HG       GLU   5   0.632  -7.665  -7.120
   43    H    ALA   6           H        ALA   6   1.416  -3.475  -4.024
   44    HA   ALA   6           HA       ALA   6   2.346  -1.568  -4.791
   45   1HB   ALA   6          1HB       ALA   6   2.726  -3.255  -6.830
   46   2HB   ALA   6          2HB       ALA   6   3.210  -1.560  -6.889
   47   3HB   ALA   6          3HB       ALA   6   1.695  -2.071  -7.636
   48    H    ALA   7           H        ALA   7  -0.289  -1.501  -3.928
   49    HA   ALA   7           HA       ALA   7  -1.509   0.457  -5.766
   50   1HB   ALA   7          1HB       ALA   7  -2.886  -1.044  -3.544
   51   2HB   ALA   7          2HB       ALA   7  -2.872  -1.555  -5.231
   52   3HB   ALA   7          3HB       ALA   7  -3.638  -0.033  -4.779
   53    H    ASP   8           H        ASP   8  -1.479   2.519  -5.178
   54    HA   ASP   8           HA       ASP   8  -0.256   3.403  -2.818
   55   1HB   ASP   8          2HB       ASP   8  -2.010   4.893  -4.775
   56   2HB   ASP   8          1HB       ASP   8  -1.085   5.662  -3.488
   57    H    CYS   9           H        CYS   9  -0.947   3.828  -0.876
   58    HA   CYS   9           HA       CYS   9  -3.640   3.168  -0.112
   59   1HB   CYS   9          2HB       CYS   9  -1.617   4.348   1.758
   60   2HB   CYS   9          1HB       CYS   9  -2.844   3.128   2.075
   61    H    SER  10           H        SER  10  -5.026   4.565   1.092
   62    HA   SER  10           HA       SER  10  -5.054   7.254   0.064
   63   1HB   SER  10          2HB       SER  10  -6.900   6.015   2.116
   64   2HB   SER  10          1HB       SER  10  -7.221   7.420   1.097
   65    HG   SER  10           HG       SER  10  -6.570   5.422  -0.506
   66    HA   PRO  11           HA       PRO  11  -2.646   8.954   3.384
   67   1HB   PRO  11          2HB       PRO  11  -3.318  11.578   2.959
   68   2HB   PRO  11          1HB       PRO  11  -2.111  10.696   2.016
   69   1HG   PRO  11          2HG       PRO  11  -4.981  11.254   1.371
   70   2HG   PRO  11          1HG       PRO  11  -3.562  11.349   0.317
   71   1HD   PRO  11          2HD       PRO  11  -5.224   9.255   0.229
   72   2HD   PRO  11          1HD       PRO  11  -3.472   9.055   0.015
   73    H    TRP  12           H        TRP  12  -5.852  10.513   3.000
   74    HA   TRP  12           HA       TRP  12  -5.990  11.037   5.821
   75   1HB   TRP  12          2HB       TRP  12  -8.114  11.376   3.694
   76   2HB   TRP  12          1HB       TRP  12  -8.190  12.011   5.334
   77    HD1  TRP  12           HD       TRP  12  -6.387  13.994   5.936
   78    HE1  TRP  12           1HE      TRP  12  -5.364  15.802   4.417
   79    HE3  TRP  12           3HE      TRP  12  -7.363  11.882   1.382
   80    HZ2  TRP  12           2HZ      TRP  12  -5.024  16.276   1.657
   81    HZ3  TRP  12           3HZ      TRP  12  -6.660  13.081  -0.648
   82    HH2  TRP  12           HH       TRP  12  -5.516  15.234  -0.511
   83    H    SER  13           H        SER  13  -7.853   9.024   3.565
   84    HA   SER  13           HA       SER  13  -8.099   6.842   5.306
   85   1HB   SER  13          2HB       SER  13  -9.585   8.499   6.521
   86   2HB   SER  13          1HB       SER  13 -10.649   8.467   5.116
   87    HG   SER  13           HG       SER  13 -10.282   6.595   7.103
   88    H    GLY  14           H        GLY  14  -9.160   5.097   4.296
   89   1HA   GLY  14          2HA       GLY  14 -10.839   5.216   2.090
   90   2HA   GLY  14          1HA       GLY  14  -9.195   5.191   1.468
   91    H    ASP  15           H        ASP  15  -9.395   3.167   0.535
   92    HA   ASP  15           HA       ASP  15 -10.283   0.894   2.028
   93   1HB   ASP  15          2HB       ASP  15  -9.006   1.235  -0.664
   94   2HB   ASP  15          1HB       ASP  15  -9.199  -0.362   0.037
   95    H    SER  16           H        SER  16  -9.112  -0.766   2.838
   96    HA   SER  16           HA       SER  16  -6.389  -0.124   3.638
   97   1HB   SER  16          2HB       SER  16  -8.138  -2.460   4.447
   98   2HB   SER  16          1HB       SER  16  -6.635  -1.957   5.216
   99    HG   SER  16           HG       SER  16  -8.471   0.061   5.031
  100    H    CYS  17           H        CYS  17  -4.669  -1.718   3.381
  101    HA   CYS  17           HA       CYS  17  -4.545  -2.778   0.764
  102   1HB   CYS  17          2HB       CYS  17  -2.790  -3.566   3.100
  103   2HB   CYS  17          1HB       CYS  17  -2.390  -3.648   1.389
  104    H    CYS  18           H        CYS  18  -4.812  -4.853  -0.003
  105    HA   CYS  18           HA       CYS  18  -6.474  -6.662   1.427
  106   1HB   CYS  18          2HB       CYS  18  -4.737  -7.270  -0.984
  107   2HB   CYS  18          1HB       CYS  18  -6.127  -8.194  -0.436
  108    H    LYS  19           H        LYS  19  -5.928  -8.633   2.377
  109    HA   LYS  19           HA       LYS  19  -3.293  -8.676   3.523
  110   1HB   LYS  19          2HB       LYS  19  -4.152 -10.716   4.680
  111   2HB   LYS  19          1HB       LYS  19  -5.100  -9.272   4.961
  112   1HG   LYS  19          2HG       LYS  19  -6.761 -10.027   3.360
  113   2HG   LYS  19          1HG       LYS  19  -5.788 -11.455   3.003
  114   1HD   LYS  19          2HD       LYS  19  -6.910 -10.785   5.719
  115   2HD   LYS  19          1HD       LYS  19  -7.670 -11.887   4.570
  116   1HE   LYS  19          2HE       LYS  19  -5.655 -13.297   4.621
  117   2HE   LYS  19          1HE       LYS  19  -4.933 -12.204   5.801
  118   1HZ   LYS  19          1HZ       LYS  19  -6.083 -13.135   7.446
  119   2HZ   LYS  19          2HZ       LYS  19  -6.436 -14.392   6.374
  120   3HZ   LYS  19          3HZ       LYS  19  -7.534 -13.124   6.577
  121    HA   PRO  20           HA       PRO  20  -1.877  -9.663   4.236
  122   1HB   PRO  20          2HB       PRO  20   0.491 -10.904   4.220
  123   2HB   PRO  20          1HB       PRO  20  -0.998 -11.779   4.598
  124   1HG   PRO  20          2HG       PRO  20   0.698 -11.928   2.193
  125   2HG   PRO  20          1HG       PRO  20  -0.479 -13.097   2.809
  126   1HD   PRO  20          2HD       PRO  20  -0.826 -11.065   0.752
  127   2HD   PRO  20          1HD       PRO  20  -1.934 -12.371   1.224
  128    H    TYR  21           H        TYR  21  -1.803  -8.119   1.762
  129    HA   TYR  21           HA       TYR  21   0.940  -7.295   1.358
  130   1HB   TYR  21          2HB       TYR  21  -1.548  -5.874   0.368
  131   2HB   TYR  21          1HB       TYR  21   0.092  -5.708  -0.237
  132    HD1  TYR  21           1HD      TYR  21  -2.654  -8.227   0.085
  133    HD2  TYR  21           2HD      TYR  21   0.815  -6.984  -2.032
  134    HE1  TYR  21           1HE      TYR  21  -3.060  -9.976  -1.593
  135    HE2  TYR  21           2HE      TYR  21   0.416  -8.726  -3.716
  136    HH   TYR  21           HH       TYR  21  -1.487 -10.048  -4.593
  137    H    LEU  22           H        LEU  22   1.876  -5.390   2.043
  138    HA   LEU  22           HA       LEU  22   0.395  -3.979   4.168
  139   1HB   LEU  22          2HB       LEU  22   2.128  -5.393   5.088
  140   2HB   LEU  22          1HB       LEU  22   3.320  -4.690   4.014
  141    HG   LEU  22           HG       LEU  22   2.991  -2.500   5.181
  142   1HD1  LEU  22          1HD1      LEU  22   1.958  -2.791   7.526
  143   2HD1  LEU  22          2HD1      LEU  22   1.140  -4.186   6.822
  144   3HD1  LEU  22          3HD1      LEU  22   0.884  -2.577   6.146
  145   1HD2  LEU  22          1HD2      LEU  22   3.782  -3.936   7.484
  146   2HD2  LEU  22          2HD2      LEU  22   4.803  -3.147   6.281
  147   3HD2  LEU  22          3HD2      LEU  22   4.346  -4.838   6.077
  148    H    CYS  23           H        CYS  23   0.458  -1.796   4.248
  149    HA   CYS  23           HA       CYS  23   1.212  -0.361   1.900
  150   1HB   CYS  23          2HB       CYS  23  -0.732   0.245   3.358
  151   2HB   CYS  23          1HB       CYS  23   0.409   0.750   4.599
  152    H    SER  24           H        SER  24   3.140   0.491   1.436
  153    HA   SER  24           HA       SER  24   5.114   0.633   3.595
  154   1HB   SER  24          2HB       SER  24   6.803   0.670   1.759
  155   2HB   SER  24          1HB       SER  24   5.808  -0.783   1.765
  156    HG   SER  24           HG       SER  24   4.467   0.489   0.178
  157    H    CYS  25           H        CYS  25   5.882   2.485   4.285
  158    HA   CYS  25           HA       CYS  25   5.310   4.935   2.762
  159   1HB   CYS  25          2HB       CYS  25   5.427   4.479   5.750
  160   2HB   CYS  25          1HB       CYS  25   5.447   6.082   5.025
  161    H    ILE  26           H        ILE  26   7.396   4.087   1.769
  162    HA   ILE  26           HA       ILE  26   9.821   4.256   3.238
  163    HB   ILE  26           HB       ILE  26  10.951   4.169   1.033
  164   1HG1  ILE  26          2HG1      ILE  26   9.014   5.371  -0.169
  165   2HG1  ILE  26          1HG1      ILE  26   9.800   4.046  -1.012
  166   1HG2  ILE  26          1HG2      ILE  26   8.801   2.091   1.330
  167   2HG2  ILE  26          2HG2      ILE  26  10.247   2.178   2.334
  168   3HG2  ILE  26          3HG2      ILE  26  10.394   1.898   0.600
  169   1HD1  ILE  26          1HD1      ILE  26   7.170   4.312  -0.909
  170   2HD1  ILE  26          2HD1      ILE  26   7.391   3.405   0.588
  171   3HD1  ILE  26          3HD1      ILE  26   7.952   2.732  -0.943
  172    H    PHE  27           H        PHE  27   8.495   6.612   3.722
  173    HA   PHE  27           HA       PHE  27   8.813   8.843   3.897
  174   1HB   PHE  27          2HB       PHE  27  11.521   7.962   2.947
  175   2HB   PHE  27          1HB       PHE  27  11.172   9.663   3.203
  176    HD1  PHE  27           1HD      PHE  27  10.341   6.550   5.102
  177    HD2  PHE  27           2HD      PHE  27  12.143  10.405   5.138
  178    HE1  PHE  27           1HE      PHE  27  10.839   6.291   7.498
  179    HE2  PHE  27           2HE      PHE  27  12.644  10.152   7.533
  180    HZ   PHE  27           HZ       PHE  27  11.993   8.093   8.715
  181    H    PHE  28           H        PHE  28   7.840   7.634   1.315
  182    HA   PHE  28           HA       PHE  28   8.184  10.058  -0.307
  183   1HB   PHE  28          2HB       PHE  28   8.252   7.199  -1.205
  184   2HB   PHE  28          1HB       PHE  28   7.699   8.452  -2.299
  185    HD1  PHE  28           1HD      PHE  28   9.252   9.105  -3.821
  186    HD2  PHE  28           2HD      PHE  28  10.564   8.038   0.081
  187    HE1  PHE  28           1HE      PHE  28  11.575   9.580  -4.477
  188    HE2  PHE  28           2HE      PHE  28  12.889   8.514  -0.565
  189    HZ   PHE  28           HZ       PHE  28  13.397   9.287  -2.847
  190    H    TYR  29           H        TYR  29   6.381  10.929  -1.063
  191    HA   TYR  29           HA       TYR  29   3.854   9.801  -0.161
  192   1HB   TYR  29          2HB       TYR  29   4.407  12.201   0.275
  193   2HB   TYR  29          1HB       TYR  29   4.396  12.483  -1.462
  194    HD1  TYR  29           1HD      TYR  29   2.494  13.496  -2.269
  195    HD2  TYR  29           2HD      TYR  29   2.145  10.870   1.061
  196    HE1  TYR  29           1HE      TYR  29   0.076  13.936  -2.181
  197    HE2  TYR  29           2HE      TYR  29  -0.274  11.300   1.155
  198    HH   TYR  29           HH       TYR  29  -1.790  13.725  -0.885
  199    HA   PRO  30           HA       PRO  30   2.201   9.218  -0.370
  200   1HB   PRO  30          2HB       PRO  30   0.205   7.675  -1.257
  201   2HB   PRO  30          1HB       PRO  30   0.217   9.418  -1.548
  202   1HG   PRO  30          2HG       PRO  30   0.661   7.200  -3.438
  203   2HG   PRO  30          1HG       PRO  30   0.152   8.866  -3.758
  204   1HD   PRO  30          2HD       PRO  30   2.804   7.717  -3.953
  205   2HD   PRO  30          1HD       PRO  30   2.272   9.353  -4.392
  206    H    CYS  31           H        CYS  31   1.402   7.105   0.693
  207    HA   CYS  31           HA       CYS  31   3.518   5.149   0.526
  208   1HB   CYS  31          2HB       CYS  31   0.998   5.162   2.211
  209   2HB   CYS  31          1HB       CYS  31   2.360   4.069   2.408
  210    H    SER  32           H        SER  32   3.167   2.919  -0.079
  211    HA   SER  32           HA       SER  32   0.590   2.379  -1.369
  212   1HB   SER  32          2HB       SER  32   2.129   1.287  -3.238
  213   2HB   SER  32          1HB       SER  32   1.669   2.989  -3.297
  214    HG   SER  32           HG       SER  32   3.646   3.580  -2.692
  215    H    CYS  33           H        CYS  33  -0.113   0.316  -1.259
  216    HA   CYS  33           HA       CYS  33   1.132  -1.456   0.583
  217   1HB   CYS  33          2HB       CYS  33  -1.012  -2.284  -1.363
  218   2HB   CYS  33          1HB       CYS  33  -0.706  -2.893   0.253
  219    H    ARG  34           H        ARG  34   2.503  -3.040   0.255
  220    HA   ARG  34           HA       ARG  34   3.144  -3.799  -2.516
  221   1HB   ARG  34          2HB       ARG  34   4.987  -3.736  -0.117
  222   2HB   ARG  34          1HB       ARG  34   5.435  -4.249  -1.735
  223   1HG   ARG  34          2HG       ARG  34   4.494  -1.482  -1.018
  224   2HG   ARG  34          1HG       ARG  34   6.182  -1.965  -1.194
  225   1HD   ARG  34          2HD       ARG  34   5.986  -2.287  -3.481
  226   2HD   ARG  34          1HD       ARG  34   4.234  -2.459  -3.406
  227    HE   ARG  34           HE       ARG  34   4.790   0.123  -2.582
  228   1HH1  ARG  34          1HH1      ARG  34   5.357  -1.770  -5.471
  229   2HH1  ARG  34          2HH1      ARG  34   5.164  -0.428  -6.547
  230   1HH2  ARG  34          1HH2      ARG  34   4.512   1.898  -3.991
  231   2HH2  ARG  34          2HH2      ARG  34   4.685   1.666  -5.705
  232    HA   PRO  35           HA       PRO  35   2.082  -7.929  -1.492
  233   1HB   PRO  35          2HB       PRO  35   4.064  -9.323  -2.808
  234   2HB   PRO  35          1HB       PRO  35   2.606  -8.682  -3.569
  235   1HG   PRO  35          2HG       PRO  35   5.376  -7.605  -3.570
  236   2HG   PRO  35          1HG       PRO  35   4.140  -7.537  -4.838
  237   1HD   PRO  35          2HD       PRO  35   4.782  -5.426  -3.235
  238   2HD   PRO  35          1HD       PRO  35   3.184  -5.645  -3.966
  239    H    LYS  36           H        LYS  36   2.679  -9.695  -0.173
  240    HA   LYS  36           HA       LYS  36   4.606  -9.002   1.831
  241   1HB   LYS  36          2HB       LYS  36   2.401 -10.133   2.273
  242   2HB   LYS  36          1HB       LYS  36   3.047 -11.579   1.514
  243   1HG   LYS  36          2HG       LYS  36   4.380 -10.315   3.889
  244   2HG   LYS  36          1HG       LYS  36   3.053 -11.462   4.063
  245   1HD   LYS  36          2HD       LYS  36   5.682 -11.984   2.670
  246   2HD   LYS  36          1HD       LYS  36   5.222 -12.571   4.269
  247   1HE   LYS  36          2HE       LYS  36   3.519 -13.960   3.357
  248   2HE   LYS  36          1HE       LYS  36   3.666 -13.206   1.769
  249   1HZ   LYS  36          1HZ       LYS  36   5.859 -14.735   3.053
  250   2HZ   LYS  36          2HZ       LYS  36   5.774 -14.203   1.449
  251   3HZ   LYS  36          3HZ       LYS  36   4.741 -15.430   1.989
  252    H    GLY  37           H        GLY  37   6.682  -9.284   1.529
  253   1HA   GLY  37          2HA       GLY  37   8.244 -11.363   1.423
  254   2HA   GLY  37          1HA       GLY  37   7.637 -11.428  -0.229
  255    H    TRP  38           H        TRP  38   7.432  -8.483  -0.311
  256    HA   TRP  38           HA       TRP  38  10.211  -7.943  -1.002
  257   1HB   TRP  38          2HB       TRP  38   7.614  -6.544  -1.658
  258   2HB   TRP  38          1HB       TRP  38   9.181  -5.828  -2.012
  259    HD1  TRP  38           HD       TRP  38  10.139  -6.362  -4.316
  260    HE1  TRP  38           1HE      TRP  38   9.665  -8.096  -6.157
  261    HE3  TRP  38           3HE      TRP  38   6.669  -9.216  -1.878
  262    HZ2  TRP  38           2HZ      TRP  38   8.035 -10.369  -6.531
  263    HZ3  TRP  38           3HZ      TRP  38   5.699 -11.153  -3.048
  264    HH2  TRP  38           HH       TRP  38   6.367 -11.713  -5.329
  Start of MODEL   14
    1   1H    LYS   1          1HT       LYS   1 -13.105  -5.168   0.223
    2   2H    LYS   1          2HT       LYS   1 -13.256  -6.096  -1.185
    3    H    LYS   1           H        LYS   1 -13.664  -4.931   0.165
    4   3H    LYS   1          3HT       LYS   1 -14.386  -4.882  -0.846
    5    HA   LYS   1           HA       LYS   1 -12.313  -4.554  -2.487
    6   1HB   LYS   1          2HB       LYS   1 -14.393  -3.085  -1.538
    7   2HB   LYS   1          1HB       LYS   1 -13.051  -2.201  -0.832
    8   1HG   LYS   1          2HG       LYS   1 -13.467  -2.746  -3.765
    9   2HG   LYS   1          1HG       LYS   1 -13.748  -1.215  -2.938
   10   1HD   LYS   1          2HD       LYS   1 -11.264  -1.385  -2.260
   11   2HD   LYS   1          1HD       LYS   1 -11.152  -2.585  -3.549
   12   1HE   LYS   1          2HE       LYS   1 -10.531  -0.456  -4.455
   13   2HE   LYS   1          1HE       LYS   1 -12.107  -0.895  -5.112
   14   1HZ   LYS   1          1HZ       LYS   1 -12.938   0.490  -3.072
   15   2HZ   LYS   1          2HZ       LYS   1 -12.471   1.265  -4.499
   16   3HZ   LYS   1          3HZ       LYS   1 -11.408   1.208  -3.178
   17    H    CYS   2           H        CYS   2 -10.155  -4.158  -2.376
   18    HA   CYS   2           HA       CYS   2  -8.932  -2.957  -0.083
   19   1HB   CYS   2          2HB       CYS   2  -7.443  -4.880   0.427
   20   2HB   CYS   2          1HB       CYS   2  -9.129  -5.193   0.817
   21    H    LEU   3           H        LEU   3  -6.643  -2.652  -0.382
   22    HA   LEU   3           HA       LEU   3  -6.050  -2.025  -3.127
   23   1HB   LEU   3          2HB       LEU   3  -4.384  -1.708  -0.631
   24   2HB   LEU   3          1HB       LEU   3  -4.048  -0.983  -2.188
   25    HG   LEU   3           HG       LEU   3  -6.480  -0.389  -0.510
   26   1HD1  LEU   3          1HD1      LEU   3  -3.792   0.567  -0.314
   27   2HD1  LEU   3          2HD1      LEU   3  -5.200   0.981   0.664
   28   3HD1  LEU   3          3HD1      LEU   3  -4.858   1.881  -0.814
   29   1HD2  LEU   3          1HD2      LEU   3  -5.934   0.046  -3.255
   30   2HD2  LEU   3          2HD2      LEU   3  -5.867   1.609  -2.440
   31   3HD2  LEU   3          3HD2      LEU   3  -7.313   0.607  -2.309
   32    H    ALA   4           H        ALA   4  -4.910  -3.238  -4.496
   33    HA   ALA   4           HA       ALA   4  -3.872  -5.786  -3.673
   34   1HB   ALA   4          1HB       ALA   4  -4.884  -4.702  -6.025
   35   2HB   ALA   4          2HB       ALA   4  -4.247  -6.331  -5.789
   36   3HB   ALA   4          3HB       ALA   4  -3.189  -5.047  -6.372
   37    H    GLU   5           H        GLU   5  -1.740  -6.043  -5.500
   38    HA   GLU   5           HA       GLU   5   0.394  -5.093  -3.879
   39   1HB   GLU   5          2HB       GLU   5   1.825  -6.008  -5.833
   40   2HB   GLU   5          1HB       GLU   5   0.903  -7.133  -4.849
   41   1HG   GLU   5          2HG       GLU   5  -0.230  -6.057  -7.397
   42   2HG   GLU   5          1HG       GLU   5   0.909  -7.404  -7.408
   43    H    ALA   6           H        ALA   6   1.529  -3.362  -3.979
   44    HA   ALA   6           HA       ALA   6   2.399  -1.361  -4.580
   45   1HB   ALA   6          1HB       ALA   6   3.259  -2.689  -6.531
   46   2HB   ALA   6          2HB       ALA   6   3.055  -0.963  -6.833
   47   3HB   ALA   6          3HB       ALA   6   1.868  -2.113  -7.449
   48    H    ALA   7           H        ALA   7  -0.299  -1.518  -3.861
   49    HA   ALA   7           HA       ALA   7  -1.632   0.356  -5.687
   50   1HB   ALA   7          1HB       ALA   7  -3.399  -0.290  -3.621
   51   2HB   ALA   7          2HB       ALA   7  -2.548  -1.784  -4.013
   52   3HB   ALA   7          3HB       ALA   7  -3.405  -0.900  -5.275
   53    H    ASP   8           H        ASP   8  -2.015   2.418  -5.200
   54    HA   ASP   8           HA       ASP   8  -0.692   3.712  -3.085
   55   1HB   ASP   8          2HB       ASP   8  -1.401   4.744  -5.278
   56   2HB   ASP   8          1HB       ASP   8  -3.046   4.792  -4.651
   57    H    CYS   9           H        CYS   9  -1.283   4.233  -1.068
   58    HA   CYS   9           HA       CYS   9  -3.833   3.203  -0.088
   59   1HB   CYS   9          2HB       CYS   9  -1.711   4.453   1.625
   60   2HB   CYS   9          1HB       CYS   9  -2.910   3.250   2.067
   61    H    SER  10           H        SER  10  -5.210   4.464   1.246
   62    HA   SER  10           HA       SER  10  -5.468   7.182   0.333
   63   1HB   SER  10          2HB       SER  10  -7.104   5.753   2.436
   64   2HB   SER  10          1HB       SER  10  -7.570   7.174   1.498
   65    HG   SER  10           HG       SER  10  -6.920   5.337  -0.253
   66    HA   PRO  11           HA       PRO  11  -2.933   8.932   3.526
   67   1HB   PRO  11          2HB       PRO  11  -3.939  11.495   3.330
   68   2HB   PRO  11          1HB       PRO  11  -2.684  10.819   2.287
   69   1HG   PRO  11          2HG       PRO  11  -5.621  11.089   1.793
   70   2HG   PRO  11          1HG       PRO  11  -4.270  11.365   0.682
   71   1HD   PRO  11          2HD       PRO  11  -5.725   9.126   0.567
   72   2HD   PRO  11          1HD       PRO  11  -3.972   9.101   0.278
   73    H    TRP  12           H        TRP  12  -6.258  10.286   3.559
   74    HA   TRP  12           HA       TRP  12  -6.166  10.517   6.425
   75   1HB   TRP  12          2HB       TRP  12  -8.489  10.956   4.537
   76   2HB   TRP  12          1HB       TRP  12  -8.438  11.421   6.233
   77    HD1  TRP  12           HD       TRP  12  -6.727  13.453   6.877
   78    HE1  TRP  12           1HE      TRP  12  -5.923  15.449   5.466
   79    HE3  TRP  12           3HE      TRP  12  -7.919  11.695   2.225
   80    HZ2  TRP  12           2HZ      TRP  12  -5.815  16.185   2.744
   81    HZ3  TRP  12           3HZ      TRP  12  -7.438  13.111   0.271
   82    HH2  TRP  12           HH       TRP  12  -6.408  15.309   0.528
   83    H    SER  13           H        SER  13  -8.151   8.675   4.132
   84    HA   SER  13           HA       SER  13  -8.150   6.299   5.618
   85   1HB   SER  13          2HB       SER  13  -9.585   7.756   7.135
   86   2HB   SER  13          1HB       SER  13 -10.774   7.798   5.833
   87    HG   SER  13           HG       SER  13 -10.050   5.715   7.525
   88    H    GLY  14           H        GLY  14  -9.221   4.636   4.483
   89   1HA   GLY  14          2HA       GLY  14 -11.101   4.925   2.470
   90   2HA   GLY  14          1HA       GLY  14  -9.529   5.105   1.704
   91    H    ASP  15           H        ASP  15  -9.476   3.258   0.550
   92    HA   ASP  15           HA       ASP  15 -10.304   0.729   1.489
   93   1HB   ASP  15          2HB       ASP  15  -8.472   1.514  -0.771
   94   2HB   ASP  15          1HB       ASP  15  -8.918  -0.150  -0.439
   95    H    SER  16           H        SER  16  -9.209  -0.960   2.310
   96    HA   SER  16           HA       SER  16  -6.611  -0.363   3.510
   97   1HB   SER  16          2HB       SER  16  -8.422  -2.717   4.066
   98   2HB   SER  16          1HB       SER  16  -7.066  -2.158   5.043
   99    HG   SER  16           HG       SER  16  -8.898  -0.193   4.610
  100    H    CYS  17           H        CYS  17  -4.870  -1.861   3.298
  101    HA   CYS  17           HA       CYS  17  -4.541  -2.916   0.705
  102   1HB   CYS  17          2HB       CYS  17  -2.943  -3.653   3.168
  103   2HB   CYS  17          1HB       CYS  17  -2.422  -3.774   1.493
  104    H    CYS  18           H        CYS  18  -4.654  -5.001  -0.090
  105    HA   CYS  18           HA       CYS  18  -6.362  -6.876   1.210
  106   1HB   CYS  18          2HB       CYS  18  -4.444  -7.357  -1.093
  107   2HB   CYS  18          1HB       CYS  18  -5.778  -8.400  -0.624
  108    H    LYS  19           H        LYS  19  -5.805  -8.802   2.232
  109    HA   LYS  19           HA       LYS  19  -3.283  -8.689   3.587
  110   1HB   LYS  19          2HB       LYS  19  -4.114 -10.747   4.711
  111   2HB   LYS  19          1HB       LYS  19  -5.187  -9.372   4.855
  112   1HG   LYS  19          2HG       LYS  19  -6.636 -10.283   3.150
  113   2HG   LYS  19          1HG       LYS  19  -5.523 -11.626   2.886
  114   1HD   LYS  19          2HD       LYS  19  -6.899 -11.047   5.502
  115   2HD   LYS  19          1HD       LYS  19  -7.492 -12.196   4.302
  116   1HE   LYS  19          2HE       LYS  19  -5.379 -13.451   4.502
  117   2HE   LYS  19          1HE       LYS  19  -4.845 -12.321   5.745
  118   1HZ   LYS  19          1HZ       LYS  19  -5.856 -13.598   7.223
  119   2HZ   LYS  19          2HZ       LYS  19  -6.490 -14.597   6.015
  120   3HZ   LYS  19          3HZ       LYS  19  -7.348 -13.229   6.514
  121    HA   PRO  20           HA       PRO  20  -1.910  -9.538   4.453
  122   1HB   PRO  20          2HB       PRO  20   0.520 -10.608   4.731
  123   2HB   PRO  20          1HB       PRO  20  -0.935 -11.582   4.966
  124   1HG   PRO  20          2HG       PRO  20   1.020 -11.644   2.759
  125   2HG   PRO  20          1HG       PRO  20  -0.117 -12.894   3.286
  126   1HD   PRO  20          2HD       PRO  20  -0.410 -10.950   1.140
  127   2HD   PRO  20          1HD       PRO  20  -1.459 -12.325   1.545
  128    H    TYR  21           H        TYR  21  -1.631  -8.164   1.847
  129    HA   TYR  21           HA       TYR  21   1.034  -7.152   1.616
  130   1HB   TYR  21          2HB       TYR  21  -1.511  -5.893   0.542
  131   2HB   TYR  21          1HB       TYR  21   0.131  -5.529   0.042
  132    HD1  TYR  21           1HD      TYR  21  -2.063  -8.568   0.324
  133    HD2  TYR  21           2HD      TYR  21   0.815  -6.419  -1.950
  134    HE1  TYR  21           1HE      TYR  21  -2.182 -10.281  -1.433
  135    HE2  TYR  21           2HE      TYR  21   0.702  -8.125  -3.712
  136    HH   TYR  21           HH       TYR  21  -0.831  -9.829  -4.538
  137    H    LEU  22           H        LEU  22   1.859  -5.185   2.239
  138    HA   LEU  22           HA       LEU  22   0.301  -3.758   4.292
  139   1HB   LEU  22          2HB       LEU  22   2.033  -5.122   5.318
  140   2HB   LEU  22          1HB       LEU  22   3.246  -4.410   4.274
  141    HG   LEU  22           HG       LEU  22   2.820  -2.207   5.365
  142   1HD1  LEU  22          1HD1      LEU  22   0.640  -2.352   6.200
  143   2HD1  LEU  22          2HD1      LEU  22   1.664  -2.394   7.635
  144   3HD1  LEU  22          3HD1      LEU  22   0.957  -3.884   7.012
  145   1HD2  LEU  22          1HD2      LEU  22   3.915  -4.593   6.720
  146   2HD2  LEU  22          2HD2      LEU  22   3.666  -3.159   7.716
  147   3HD2  LEU  22          3HD2      LEU  22   4.696  -3.073   6.287
  148    H    CYS  23           H        CYS  23   0.352  -1.561   4.267
  149    HA   CYS  23           HA       CYS  23   1.139  -0.263   1.860
  150   1HB   CYS  23          2HB       CYS  23  -0.811   0.434   3.259
  151   2HB   CYS  23          1HB       CYS  23   0.323   1.007   4.479
  152    H    SER  24           H        SER  24   3.052   0.596   1.353
  153    HA   SER  24           HA       SER  24   5.042   0.804   3.483
  154   1HB   SER  24          2HB       SER  24   6.704   0.877   1.633
  155   2HB   SER  24          1HB       SER  24   5.723  -0.587   1.623
  156    HG   SER  24           HG       SER  24   4.386   0.527   0.029
  157    H    CYS  25           H        CYS  25   5.778   2.648   4.178
  158    HA   CYS  25           HA       CYS  25   5.229   5.118   2.674
  159   1HB   CYS  25          2HB       CYS  25   5.097   4.568   5.639
  160   2HB   CYS  25          1HB       CYS  25   5.325   6.198   5.020
  161    H    ILE  26           H        ILE  26   7.364   4.369   1.770
  162    HA   ILE  26           HA       ILE  26   9.708   4.401   3.361
  163    HB   ILE  26           HB       ILE  26  10.892   4.580   1.127
  164   1HG1  ILE  26          2HG1      ILE  26   8.061   4.276   0.090
  165   2HG1  ILE  26          1HG1      ILE  26   9.053   5.719  -0.080
  166   1HG2  ILE  26          1HG2      ILE  26   9.899   2.482   2.454
  167   2HG2  ILE  26          2HG2      ILE  26  10.794   2.333   0.941
  168   3HG2  ILE  26          3HG2      ILE  26   9.030   2.299   0.929
  169   1HD1  ILE  26          1HD1      ILE  26   9.837   4.914  -1.980
  170   2HD1  ILE  26          2HD1      ILE  26   8.925   3.421  -1.750
  171   3HD1  ILE  26          3HD1      ILE  26  10.557   3.567  -1.097
  172    H    PHE  27           H        PHE  27   8.457   6.709   4.061
  173    HA   PHE  27           HA       PHE  27   8.782   8.916   4.437
  174   1HB   PHE  27          2HB       PHE  27  11.512   8.131   3.444
  175   2HB   PHE  27          1HB       PHE  27  11.153   9.773   3.950
  176    HD1  PHE  27           1HD      PHE  27  12.023  10.242   6.007
  177    HD2  PHE  27           2HD      PHE  27  10.366   6.382   5.323
  178    HE1  PHE  27           1HE      PHE  27  12.495   9.629   8.341
  179    HE2  PHE  27           2HE      PHE  27  10.833   5.763   7.657
  180    HZ   PHE  27           HZ       PHE  27  11.900   7.388   9.170
  181    H    PHE  28           H        PHE  28   7.894   7.961   1.715
  182    HA   PHE  28           HA       PHE  28   8.046  10.574   0.443
  183   1HB   PHE  28          2HB       PHE  28   8.881   7.999  -0.884
  184   2HB   PHE  28          1HB       PHE  28   8.321   9.379  -1.815
  185    HD1  PHE  28           1HD      PHE  28   9.700  11.278  -2.166
  186    HD2  PHE  28           2HD      PHE  28  10.996   8.127   0.382
  187    HE1  PHE  28           1HE      PHE  28  11.979  12.202  -2.190
  188    HE2  PHE  28           2HE      PHE  28  13.276   9.049   0.370
  189    HZ   PHE  28           HZ       PHE  28  13.771  11.089  -0.918
  190    H    TYR  29           H        TYR  29   6.245  11.117  -0.644
  191    HA   TYR  29           HA       TYR  29   3.938   9.367  -0.327
  192   1HB   TYR  29          2HB       TYR  29   3.939  11.854   0.294
  193   2HB   TYR  29          1HB       TYR  29   3.967  12.185  -1.433
  194    HD1  TYR  29           1HD      TYR  29   2.021  10.147   1.029
  195    HD2  TYR  29           2HD      TYR  29   1.939  12.551  -2.482
  196    HE1  TYR  29           1HE      TYR  29  -0.428   9.942   0.952
  197    HE2  TYR  29           2HE      TYR  29  -0.511  12.355  -2.566
  198    HH   TYR  29           HH       TYR  29  -2.227  10.321  -1.483
  199    HA   PRO  30           HA       PRO  30   2.142   8.988  -1.087
  200   1HB   PRO  30          2HB       PRO  30   0.542   7.399  -2.512
  201   2HB   PRO  30          1HB       PRO  30   0.605   9.141  -2.801
  202   1HG   PRO  30          2HG       PRO  30   1.695   6.920  -4.423
  203   2HG   PRO  30          1HG       PRO  30   1.176   8.536  -4.929
  204   1HD   PRO  30          2HD       PRO  30   3.842   7.622  -4.401
  205   2HD   PRO  30          1HD       PRO  30   3.321   9.250  -4.877
  206    H    CYS  31           H        CYS  31   1.502   7.184   0.165
  207    HA   CYS  31           HA       CYS  31   3.452   5.062   0.282
  208   1HB   CYS  31          2HB       CYS  31   0.935   5.544   1.897
  209   2HB   CYS  31          1HB       CYS  31   2.118   4.289   2.234
  210    H    SER  32           H        SER  32   3.089   2.909  -0.320
  211    HA   SER  32           HA       SER  32   0.413   2.307  -1.351
  212   1HB   SER  32          2HB       SER  32   1.835   1.130  -3.291
  213   2HB   SER  32          1HB       SER  32   1.272   2.798  -3.402
  214    HG   SER  32           HG       SER  32   3.287   3.506  -2.745
  215    H    CYS  33           H        CYS  33  -0.273   0.253  -1.184
  216    HA   CYS  33           HA       CYS  33   0.991  -1.477   0.668
  217   1HB   CYS  33          2HB       CYS  33  -1.106  -2.340  -1.320
  218   2HB   CYS  33          1HB       CYS  33  -0.803  -2.973   0.286
  219    H    ARG  34           H        ARG  34   2.404  -3.048   0.401
  220    HA   ARG  34           HA       ARG  34   3.057  -3.934  -2.337
  221   1HB   ARG  34          2HB       ARG  34   5.021  -3.636  -0.055
  222   2HB   ARG  34          1HB       ARG  34   5.391  -4.054  -1.720
  223   1HG   ARG  34          2HG       ARG  34   4.327  -1.406  -0.766
  224   2HG   ARG  34          1HG       ARG  34   5.998  -1.754  -1.208
  225   1HD   ARG  34          2HD       ARG  34   5.341  -2.205  -3.488
  226   2HD   ARG  34          1HD       ARG  34   3.640  -2.004  -3.070
  227    HE   ARG  34           HE       ARG  34   3.905   0.252  -3.252
  228   1HH1  ARG  34          1HH1      ARG  34   7.086  -1.182  -2.918
  229   2HH1  ARG  34          2HH1      ARG  34   7.922   0.324  -3.098
  230   1HH2  ARG  34          1HH2      ARG  34   4.989   2.228  -3.478
  231   2HH2  ARG  34          2HH2      ARG  34   6.726   2.273  -3.426
  232    HA   PRO  35           HA       PRO  35   2.345  -8.090  -1.051
  233   1HB   PRO  35          2HB       PRO  35   4.990  -8.768  -2.219
  234   2HB   PRO  35          1HB       PRO  35   3.397  -9.448  -2.568
  235   1HG   PRO  35          2HG       PRO  35   4.592  -7.774  -4.274
  236   2HG   PRO  35          1HG       PRO  35   2.838  -7.739  -4.019
  237   1HD   PRO  35          2HD       PRO  35   4.936  -5.870  -3.020
  238   2HD   PRO  35          1HD       PRO  35   3.269  -5.534  -3.524
  239    H    LYS  36           H        LYS  36   2.814  -9.396   0.672
  240    HA   LYS  36           HA       LYS  36   4.796  -8.445   2.524
  241   1HB   LYS  36          2HB       LYS  36   2.489  -9.303   3.149
  242   2HB   LYS  36          1HB       LYS  36   3.076 -10.918   2.780
  243   1HG   LYS  36          2HG       LYS  36   3.156 -10.522   5.156
  244   2HG   LYS  36          1HG       LYS  36   4.794 -10.676   4.516
  245   1HD   LYS  36          2HD       LYS  36   5.072  -8.275   4.551
  246   2HD   LYS  36          1HD       LYS  36   3.395  -8.057   5.059
  247   1HE   LYS  36          2HE       LYS  36   4.926  -7.834   6.946
  248   2HE   LYS  36          1HE       LYS  36   3.868  -9.229   7.145
  249   1HZ   LYS  36          1HZ       LYS  36   6.125  -9.783   7.743
  250   2HZ   LYS  36          2HZ       LYS  36   6.690  -9.302   6.223
  251   3HZ   LYS  36          3HZ       LYS  36   5.674 -10.648   6.360
  252    H    GLY  37           H        GLY  37   6.424  -8.905   0.807
  253   1HA   GLY  37          2HA       GLY  37   8.422 -10.469   1.394
  254   2HA   GLY  37          1HA       GLY  37   7.327 -11.691   0.750
  255    H    TRP  38           H        TRP  38   7.884  -8.361  -0.246
  256    HA   TRP  38           HA       TRP  38   7.976  -9.090  -3.006
  257   1HB   TRP  38          2HB       TRP  38   8.198  -6.744  -3.459
  258   2HB   TRP  38          1HB       TRP  38   7.052  -6.922  -2.139
  259    HD1  TRP  38           HD       TRP  38  10.778  -5.978  -2.664
  260    HE1  TRP  38           1HE      TRP  38  11.448  -4.312  -0.826
  261    HE3  TRP  38           3HE      TRP  38   6.439  -5.957   0.042
  262    HZ2  TRP  38           2HZ      TRP  38  10.295  -3.139   1.464
  263    HZ3  TRP  38           3HZ      TRP  38   6.307  -4.534   2.043
  264    HH2  TRP  38           HH       TRP  38   8.195  -3.154   2.739
  Start of MODEL   15
    1   1H    LYS   1          1HT       LYS   1 -12.937  -4.799  -1.973
    2   2H    LYS   1          2HT       LYS   1 -13.489  -5.495  -0.534
    3    H    LYS   1           H        LYS   1 -12.806  -5.723  -0.372
    4   3H    LYS   1          3HT       LYS   1 -11.829  -5.372  -0.831
    5    HA   LYS   1           HA       LYS   1 -12.889  -2.812  -1.056
    6   1HB   LYS   1          2HB       LYS   1 -14.658  -4.167   0.409
    7   2HB   LYS   1          1HB       LYS   1 -13.481  -3.882   1.680
    8   1HG   LYS   1          2HG       LYS   1 -14.783  -1.731   0.016
    9   2HG   LYS   1          1HG       LYS   1 -15.281  -2.205   1.639
   10   1HD   LYS   1          2HD       LYS   1 -13.153  -1.514   2.539
   11   2HD   LYS   1          1HD       LYS   1 -12.544  -1.169   0.920
   12   1HE   LYS   1          2HE       LYS   1 -14.347   0.544   0.696
   13   2HE   LYS   1          1HE       LYS   1 -14.741   0.271   2.394
   14   1HZ   LYS   1          1HZ       LYS   1 -13.141   2.164   1.800
   15   2HZ   LYS   1          2HZ       LYS   1 -11.988   0.942   1.572
   16   3HZ   LYS   1          3HZ       LYS   1 -12.722   1.143   3.083
   17    H    CYS   2           H        CYS   2 -10.473  -3.573  -1.430
   18    HA   CYS   2           HA       CYS   2  -8.935  -2.385   0.673
   19   1HB   CYS   2          2HB       CYS   2  -7.424  -4.395   0.927
   20   2HB   CYS   2          1HB       CYS   2  -9.010  -4.567   1.666
   21    H    LEU   3           H        LEU   3  -6.683  -2.197   0.046
   22    HA   LEU   3           HA       LEU   3  -6.475  -1.574  -2.751
   23   1HB   LEU   3          2HB       LEU   3  -4.475  -1.382  -0.501
   24   2HB   LEU   3          1HB       LEU   3  -4.276  -0.690  -2.093
   25    HG   LEU   3           HG       LEU   3  -6.425   0.077  -0.129
   26   1HD1  LEU   3          1HD1      LEU   3  -4.236   1.883  -1.023
   27   2HD1  LEU   3          2HD1      LEU   3  -3.930   0.714   0.262
   28   3HD1  LEU   3          3HD1      LEU   3  -5.201   1.922   0.452
   29   1HD2  LEU   3          1HD2      LEU   3  -5.682   1.444  -2.705
   30   2HD2  LEU   3          2HD2      LEU   3  -7.065   1.772  -1.661
   31   3HD2  LEU   3          3HD2      LEU   3  -6.989   0.267  -2.578
   32    H    ALA   4           H        ALA   4  -5.331  -2.652  -4.298
   33    HA   ALA   4           HA       ALA   4  -4.638  -5.377  -3.753
   34   1HB   ALA   4          1HB       ALA   4  -3.953  -4.151  -6.361
   35   2HB   ALA   4          2HB       ALA   4  -5.656  -4.215  -5.902
   36   3HB   ALA   4          3HB       ALA   4  -4.710  -5.701  -5.996
   37    H    GLU   5           H        GLU   5  -2.573  -5.958  -5.382
   38    HA   GLU   5           HA       GLU   5  -0.321  -5.344  -3.778
   39   1HB   GLU   5          2HB       GLU   5  -0.700  -7.513  -4.951
   40   2HB   GLU   5          1HB       GLU   5  -0.399  -6.696  -6.479
   41   1HG   GLU   5          2HG       GLU   5   1.865  -6.195  -5.806
   42   2HG   GLU   5          1HG       GLU   5   1.574  -6.899  -4.216
   43    H    ALA   6           H        ALA   6   1.242  -3.937  -4.054
   44    HA   ALA   6           HA       ALA   6   2.397  -2.117  -4.749
   45   1HB   ALA   6          1HB       ALA   6   2.295  -3.877  -6.954
   46   2HB   ALA   6          2HB       ALA   6   3.480  -2.613  -6.626
   47   3HB   ALA   6          3HB       ALA   6   2.046  -2.249  -7.585
   48    H    ALA   7           H        ALA   7  -0.235  -1.703  -4.022
   49    HA   ALA   7           HA       ALA   7  -1.206   0.287  -5.972
   50   1HB   ALA   7          1HB       ALA   7  -2.575  -1.695  -4.607
   51   2HB   ALA   7          2HB       ALA   7  -3.286  -0.338  -5.480
   52   3HB   ALA   7          3HB       ALA   7  -2.992  -0.213  -3.745
   53    H    ASP   8           H        ASP   8  -1.647   2.418  -5.338
   54    HA   ASP   8           HA       ASP   8   0.040   3.463  -3.326
   55   1HB   ASP   8          2HB       ASP   8  -0.923   5.621  -3.840
   56   2HB   ASP   8          1HB       ASP   8  -0.655   4.739  -5.338
   57    H    CYS   9           H        CYS   9  -0.505   4.526  -1.379
   58    HA   CYS   9           HA       CYS   9  -3.146   4.242  -0.263
   59   1HB   CYS   9          2HB       CYS   9  -2.290   2.923   1.726
   60   2HB   CYS   9          1HB       CYS   9  -2.441   2.018   0.226
   61    H    SER  10           H        SER  10  -2.804   4.691   2.297
   62    HA   SER  10           HA       SER  10  -0.759   6.627   2.873
   63   1HB   SER  10          2HB       SER  10  -3.652   7.490   2.582
   64   2HB   SER  10          1HB       SER  10  -2.411   8.449   3.388
   65    HG   SER  10           HG       SER  10  -1.768   7.550   0.846
   66    HA   PRO  11           HA       PRO  11  -1.160   5.029   6.919
   67   1HB   PRO  11          2HB       PRO  11  -1.010   7.485   8.292
   68   2HB   PRO  11          1HB       PRO  11   0.336   6.425   7.868
   69   1HG   PRO  11          2HG       PRO  11  -0.664   8.864   6.487
   70   2HG   PRO  11          1HG       PRO  11   0.989   8.246   6.625
   71   1HD   PRO  11          2HD       PRO  11  -0.386   8.028   4.350
   72   2HD   PRO  11          1HD       PRO  11   0.710   6.740   4.895
   73    H    TRP  12           H        TRP  12  -3.155   7.888   6.206
   74    HA   TRP  12           HA       TRP  12  -5.269   6.676   7.854
   75   1HB   TRP  12          2HB       TRP  12  -4.682   9.640   7.655
   76   2HB   TRP  12          1HB       TRP  12  -6.005   8.910   8.556
   77    HD1  TRP  12           HD       TRP  12  -5.293   7.459  10.773
   78    HE1  TRP  12           1HE      TRP  12  -3.292   7.757  12.365
   79    HE3  TRP  12           3HE      TRP  12  -2.301  10.338   7.790
   80    HZ2  TRP  12           2HZ      TRP  12  -0.782   9.049  12.360
   81    HZ3  TRP  12           3HZ      TRP  12  -0.120  11.068   8.662
   82    HH2  TRP  12           HH       TRP  12   0.622  10.436  10.900
   83    H    SER  13           H        SER  13  -4.619   9.081   5.320
   84    HA   SER  13           HA       SER  13  -7.305   8.982   4.323
   85   1HB   SER  13          2HB       SER  13  -4.897  10.191   2.960
   86   2HB   SER  13          1HB       SER  13  -6.593  10.644   2.770
   87    HG   SER  13           HG       SER  13  -5.936  12.111   4.187
   88    H    GLY  14           H        GLY  14  -6.729   6.423   4.204
   89   1HA   GLY  14          2HA       GLY  14  -6.746   5.843   1.388
   90   2HA   GLY  14          1HA       GLY  14  -5.274   5.297   2.179
   91    H    ASP  15           H        ASP  15  -7.250   3.640   0.914
   92    HA   ASP  15           HA       ASP  15  -8.873   2.418   2.932
   93   1HB   ASP  15          2HB       ASP  15  -9.105   2.361   0.281
   94   2HB   ASP  15          1HB       ASP  15  -8.109   0.927   0.456
   95    H    SER  16           H        SER  16  -8.636   0.003   3.353
   96    HA   SER  16           HA       SER  16  -5.970  -0.425   4.354
   97   1HB   SER  16          2HB       SER  16  -8.224  -2.412   4.401
   98   2HB   SER  16          1HB       SER  16  -6.847  -2.314   5.492
   99    HG   SER  16           HG       SER  16  -8.163   0.012   5.536
  100    H    CYS  17           H        CYS  17  -4.510  -1.911   3.647
  101    HA   CYS  17           HA       CYS  17  -4.674  -2.653   0.885
  102   1HB   CYS  17          2HB       CYS  17  -2.636  -3.592   2.919
  103   2HB   CYS  17          1HB       CYS  17  -2.454  -3.545   1.171
  104    H    CYS  18           H        CYS  18  -4.952  -4.709   0.025
  105    HA   CYS  18           HA       CYS  18  -6.516  -6.565   1.473
  106   1HB   CYS  18          2HB       CYS  18  -4.942  -6.960  -1.089
  107   2HB   CYS  18          1HB       CYS  18  -6.154  -8.069  -0.468
  108    H    LYS  19           H        LYS  19  -5.958  -8.548   2.348
  109    HA   LYS  19           HA       LYS  19  -3.313  -8.623   3.425
  110   1HB   LYS  19          2HB       LYS  19  -4.144 -10.682   4.570
  111   2HB   LYS  19          1HB       LYS  19  -5.106  -9.252   4.871
  112   1HG   LYS  19          2HG       LYS  19  -6.731 -10.833   4.542
  113   2HG   LYS  19          1HG       LYS  19  -6.571 -10.168   2.917
  114   1HD   LYS  19          2HD       LYS  19  -5.030 -12.032   2.359
  115   2HD   LYS  19          1HD       LYS  19  -5.331 -12.716   3.957
  116   1HE   LYS  19          2HE       LYS  19  -7.683 -12.969   3.439
  117   2HE   LYS  19          1HE       LYS  19  -7.448 -12.189   1.876
  118   1HZ   LYS  19          1HZ       LYS  19  -5.967 -14.017   1.253
  119   2HZ   LYS  19          2HZ       LYS  19  -7.523 -14.570   1.617
  120   3HZ   LYS  19          3HZ       LYS  19  -6.271 -14.777   2.734
  121    HA   PRO  20           HA       PRO  20  -1.935  -9.650   4.154
  122   1HB   PRO  20          2HB       PRO  20   0.426 -10.889   4.158
  123   2HB   PRO  20          1HB       PRO  20  -1.072 -11.784   4.439
  124   1HG   PRO  20          2HG       PRO  20   0.702 -11.797   2.081
  125   2HG   PRO  20          1HG       PRO  20  -0.471 -13.014   2.611
  126   1HD   PRO  20          2HD       PRO  20  -0.800 -10.901   0.636
  127   2HD   PRO  20          1HD       PRO  20  -1.906 -12.234   1.034
  128    H    TYR  21           H        TYR  21  -1.745  -8.061   1.655
  129    HA   TYR  21           HA       TYR  21   0.999  -7.222   1.406
  130   1HB   TYR  21          2HB       TYR  21  -1.468  -5.795   0.379
  131   2HB   TYR  21          1HB       TYR  21   0.192  -5.572  -0.155
  132    HD1  TYR  21           1HD      TYR  21  -2.822  -7.548  -0.546
  133    HD2  TYR  21           2HD      TYR  21   1.338  -7.383  -1.395
  134    HE1  TYR  21           1HE      TYR  21  -3.112  -9.272  -2.279
  135    HE2  TYR  21           2HE      TYR  21   1.062  -9.097  -3.124
  136    HH   TYR  21           HH       TYR  21  -0.479 -10.137  -4.444
  137    H    LEU  22           H        LEU  22   1.913  -5.313   2.076
  138    HA   LEU  22           HA       LEU  22   0.447  -3.904   4.208
  139   1HB   LEU  22          2HB       LEU  22   2.221  -5.289   5.109
  140   2HB   LEU  22          1HB       LEU  22   3.381  -4.569   4.012
  141    HG   LEU  22           HG       LEU  22   3.035  -2.382   5.170
  142   1HD1  LEU  22          1HD1      LEU  22   1.506  -2.068   6.763
  143   2HD1  LEU  22          2HD1      LEU  22   1.902  -3.588   7.564
  144   3HD1  LEU  22          3HD1      LEU  22   0.786  -3.577   6.200
  145   1HD2  LEU  22          1HD2      LEU  22   3.834  -4.451   7.181
  146   2HD2  LEU  22          2HD2      LEU  22   4.528  -2.857   6.885
  147   3HD2  LEU  22          3HD2      LEU  22   4.805  -4.166   5.737
  148    H    CYS  23           H        CYS  23   0.438  -1.728   4.210
  149    HA   CYS  23           HA       CYS  23   1.170  -0.323   1.836
  150   1HB   CYS  23          2HB       CYS  23  -0.806   0.292   3.155
  151   2HB   CYS  23          1HB       CYS  23   0.218   0.692   4.527
  152    H    SER  24           H        SER  24   3.187   0.272   1.379
  153    HA   SER  24           HA       SER  24   5.078   0.651   3.568
  154   1HB   SER  24          2HB       SER  24   6.826   0.562   1.829
  155   2HB   SER  24          1HB       SER  24   5.780  -0.854   1.770
  156    HG   SER  24           HG       SER  24   4.617   0.280   0.067
  157    H    CYS  25           H        CYS  25   5.754   2.558   4.203
  158    HA   CYS  25           HA       CYS  25   5.227   4.907   2.516
  159   1HB   CYS  25          2HB       CYS  25   5.211   4.668   5.537
  160   2HB   CYS  25          1HB       CYS  25   5.135   6.198   4.671
  161    H    ILE  26           H        ILE  26   7.337   4.168   1.654
  162    HA   ILE  26           HA       ILE  26   9.711   4.303   3.182
  163    HB   ILE  26           HB       ILE  26  10.845   4.430   0.924
  164   1HG1  ILE  26          2HG1      ILE  26   8.001   4.063  -0.057
  165   2HG1  ILE  26          1HG1      ILE  26   8.963   5.522  -0.271
  166   1HG2  ILE  26          1HG2      ILE  26  10.569   2.340   2.058
  167   2HG2  ILE  26          2HG2      ILE  26  10.198   2.099   0.352
  168   3HG2  ILE  26          3HG2      ILE  26   8.891   2.220   1.529
  169   1HD1  ILE  26          1HD1      ILE  26   9.983   4.690  -2.056
  170   2HD1  ILE  26          2HD1      ILE  26   8.769   3.411  -2.028
  171   3HD1  ILE  26          3HD1      ILE  26  10.331   3.163  -1.247
  172    H    PHE  27           H        PHE  27   8.491   6.601   3.884
  173    HA   PHE  27           HA       PHE  27   8.828   8.806   4.224
  174   1HB   PHE  27          2HB       PHE  27  11.490   8.046   3.053
  175   2HB   PHE  27          1HB       PHE  27  11.146   9.691   3.565
  176    HD1  PHE  27           1HD      PHE  27  12.120  10.199   5.565
  177    HD2  PHE  27           2HD      PHE  27  10.516   6.296   5.014
  178    HE1  PHE  27           1HE      PHE  27  12.753   9.617   7.869
  179    HE2  PHE  27           2HE      PHE  27  11.143   5.709   7.318
  180    HZ   PHE  27           HZ       PHE  27  12.263   7.371   8.750
  181    H    PHE  28           H        PHE  28   7.714   7.877   1.579
  182    HA   PHE  28           HA       PHE  28   7.855  10.500   0.310
  183   1HB   PHE  28          2HB       PHE  28   8.353   7.897  -1.111
  184   2HB   PHE  28          1HB       PHE  28   7.799   9.325  -1.962
  185    HD1  PHE  28           1HD      PHE  28   9.278  11.047  -2.557
  186    HD2  PHE  28           2HD      PHE  28  10.591   7.930   0.023
  187    HE1  PHE  28           1HE      PHE  28  11.602  11.809  -2.824
  188    HE2  PHE  28           2HE      PHE  28  12.916   8.690  -0.235
  189    HZ   PHE  28           HZ       PHE  28  13.424  10.632  -1.659
  190    H    TYR  29           H        TYR  29   5.959  11.221  -0.272
  191    HA   TYR  29           HA       TYR  29   3.627   9.514   0.097
  192   1HB   TYR  29          2HB       TYR  29   3.960  11.936   1.050
  193   2HB   TYR  29          1HB       TYR  29   3.477  12.439  -0.567
  194    HD1  TYR  29           1HD      TYR  29   2.321   9.881   1.906
  195    HD2  TYR  29           2HD      TYR  29   1.259  13.060  -0.715
  196    HE1  TYR  29           1HE      TYR  29  -0.038   9.604   2.537
  197    HE2  TYR  29           2HE      TYR  29  -1.105  12.793  -0.089
  198    HH   TYR  29           HH       TYR  29  -2.331  10.139   1.359
  199    HA   PRO  30           HA       PRO  30   1.789   9.124  -0.426
  200   1HB   PRO  30          2HB       PRO  30   0.187   7.496  -1.801
  201   2HB   PRO  30          1HB       PRO  30  -0.014   9.251  -1.880
  202   1HG   PRO  30          2HG       PRO  30   1.185   7.390  -3.869
  203   2HG   PRO  30          1HG       PRO  30   0.244   8.866  -4.135
  204   1HD   PRO  30          2HD       PRO  30   3.049   8.630  -4.219
  205   2HD   PRO  30          1HD       PRO  30   2.119  10.140  -4.177
  206    H    CYS  31           H        CYS  31   1.316   6.903   0.380
  207    HA   CYS  31           HA       CYS  31   3.672   5.258   0.197
  208   1HB   CYS  31          2HB       CYS  31   1.081   4.734   1.673
  209   2HB   CYS  31          1HB       CYS  31   2.627   3.941   1.951
  210    H    SER  32           H        SER  32   3.055   2.703   0.126
  211    HA   SER  32           HA       SER  32   0.943   2.156  -1.764
  212   1HB   SER  32          2HB       SER  32   2.614   1.063  -3.381
  213   2HB   SER  32          1HB       SER  32   2.489   2.823  -3.402
  214    HG   SER  32           HG       SER  32   4.314   2.717  -1.832
  215    H    CYS  33           H        CYS  33   0.105   0.211  -1.403
  216    HA   CYS  33           HA       CYS  33   1.206  -1.551   0.544
  217   1HB   CYS  33          2HB       CYS  33  -0.954  -2.279  -1.441
  218   2HB   CYS  33          1HB       CYS  33  -0.708  -2.919   0.176
  219    H    ARG  34           H        ARG  34   2.664  -3.058   0.247
  220    HA   ARG  34           HA       ARG  34   3.206  -4.026  -2.488
  221   1HB   ARG  34          2HB       ARG  34   5.160  -3.758  -0.192
  222   2HB   ARG  34          1HB       ARG  34   5.541  -4.293  -1.820
  223   1HG   ARG  34          2HG       ARG  34   4.506  -1.554  -1.125
  224   2HG   ARG  34          1HG       ARG  34   6.207  -1.959  -1.358
  225   1HD   ARG  34          2HD       ARG  34   5.825  -2.545  -3.642
  226   2HD   ARG  34          1HD       ARG  34   4.078  -2.407  -3.440
  227    HE   ARG  34           HE       ARG  34   5.111   0.064  -2.780
  228   1HH1  ARG  34          1HH1      ARG  34   5.127  -2.007  -5.604
  229   2HH1  ARG  34          2HH1      ARG  34   5.154  -0.691  -6.728
  230   1HH2  ARG  34          1HH2      ARG  34   5.137   1.799  -4.245
  231   2HH2  ARG  34          2HH2      ARG  34   5.168   1.487  -5.953
  232    HA   PRO  35           HA       PRO  35   2.446  -8.157  -1.188
  233   1HB   PRO  35          2HB       PRO  35   4.652  -9.498  -2.165
  234   2HB   PRO  35          1HB       PRO  35   3.226  -9.071  -3.113
  235   1HG   PRO  35          2HG       PRO  35   5.876  -7.715  -2.956
  236   2HG   PRO  35          1HG       PRO  35   4.811  -7.943  -4.353
  237   1HD   PRO  35          2HD       PRO  35   5.000  -5.588  -3.048
  238   2HD   PRO  35          1HD       PRO  35   3.488  -6.135  -3.794
  239    H    LYS  36           H        LYS  36   2.905  -9.606   0.439
  240    HA   LYS  36           HA       LYS  36   4.732  -8.669   2.443
  241   1HB   LYS  36          2HB       LYS  36   2.471  -9.668   2.931
  242   2HB   LYS  36          1HB       LYS  36   3.127 -11.229   2.455
  243   1HG   LYS  36          2HG       LYS  36   4.938 -10.736   4.243
  244   2HG   LYS  36          1HG       LYS  36   3.769  -9.563   4.850
  245   1HD   LYS  36          2HD       LYS  36   3.468 -11.632   6.034
  246   2HD   LYS  36          1HD       LYS  36   2.085 -11.392   4.963
  247   1HE   LYS  36          2HE       LYS  36   3.034 -12.926   3.344
  248   2HE   LYS  36          1HE       LYS  36   4.482 -13.112   4.333
  249   1HZ   LYS  36          1HZ       LYS  36   2.025 -14.496   4.507
  250   2HZ   LYS  36          2HZ       LYS  36   2.334 -13.706   5.971
  251   3HZ   LYS  36          3HZ       LYS  36   3.471 -14.786   5.337
  252    H    GLY  37           H        GLY  37   6.632  -8.923   1.099
  253   1HA   GLY  37          2HA       GLY  37   8.521 -10.599   1.735
  254   2HA   GLY  37          1HA       GLY  37   7.562 -11.679   0.730
  255    H    TRP  38           H        TRP  38   8.131  -8.242   0.292
  256    HA   TRP  38           HA       TRP  38   9.170  -8.769  -2.386
  257   1HB   TRP  38          2HB       TRP  38   7.283  -7.131  -2.010
  258   2HB   TRP  38          1HB       TRP  38   8.419  -6.116  -1.133
  259    HD1  TRP  38           HD       TRP  38   9.342  -4.229  -2.566
  260    HE1  TRP  38           1HE      TRP  38   9.834  -3.865  -5.065
  261    HE3  TRP  38           3HE      TRP  38   7.964  -8.821  -4.348
  262    HZ2  TRP  38           2HZ      TRP  38   9.654  -5.325  -7.474
  263    HZ3  TRP  38           3HZ      TRP  38   8.154  -9.254  -6.762
  264    HH2  TRP  38           HH       TRP  38   8.981  -7.540  -8.292
  Start of MODEL   16
    1   1H    LYS   1          1HT       LYS   1 -13.239  -4.767   1.814
    2   2H    LYS   1          2HT       LYS   1 -13.607  -5.666   0.429
    3    H    LYS   1           H        LYS   1 -13.694  -4.545   1.838
    4   3H    LYS   1          3HT       LYS   1 -14.599  -4.374   0.884
    5    HA   LYS   1           HA       LYS   1 -12.719  -4.185  -0.970
    6   1HB   LYS   1          2HB       LYS   1 -12.788  -1.712  -0.479
    7   2HB   LYS   1          1HB       LYS   1 -14.364  -2.480  -0.586
    8   1HG   LYS   1          2HG       LYS   1 -14.893  -1.881   1.487
    9   2HG   LYS   1          1HG       LYS   1 -13.366  -2.487   2.129
   10   1HD   LYS   1          2HD       LYS   1 -13.529  -0.125   2.577
   11   2HD   LYS   1          1HD       LYS   1 -12.268  -0.399   1.377
   12   1HE   LYS   1          2HE       LYS   1 -13.920   0.180  -0.396
   13   2HE   LYS   1          1HE       LYS   1 -15.070   0.596   0.874
   14   1HZ   LYS   1          1HZ       LYS   1 -13.390   2.221   1.692
   15   2HZ   LYS   1          2HZ       LYS   1 -13.999   2.585   0.157
   16   3HZ   LYS   1          3HZ       LYS   1 -12.456   1.897   0.317
   17    H    CYS   2           H        CYS   2 -10.569  -3.858  -1.190
   18    HA   CYS   2           HA       CYS   2  -8.926  -2.872   0.935
   19   1HB   CYS   2          2HB       CYS   2  -7.489  -4.894   1.094
   20   2HB   CYS   2          1HB       CYS   2  -9.098  -5.132   1.755
   21    H    LEU   3           H        LEU   3  -6.778  -2.530   0.278
   22    HA   LEU   3           HA       LEU   3  -6.574  -1.922  -2.533
   23   1HB   LEU   3          2HB       LEU   3  -4.642  -1.515  -0.256
   24   2HB   LEU   3          1HB       LEU   3  -4.469  -0.845  -1.861
   25    HG   LEU   3           HG       LEU   3  -6.705  -0.213   0.056
   26   1HD1  LEU   3          1HD1      LEU   3  -5.563   1.573   0.779
   27   2HD1  LEU   3          2HD1      LEU   3  -4.854   1.892  -0.804
   28   3HD1  LEU   3          3HD1      LEU   3  -4.153   0.659   0.244
   29   1HD2  LEU   3          1HD2      LEU   3  -6.597   0.037  -2.740
   30   2HD2  LEU   3          2HD2      LEU   3  -6.363   1.660  -2.088
   31   3HD2  LEU   3          3HD2      LEU   3  -7.790   0.726  -1.638
   32    H    ALA   4           H        ALA   4  -5.430  -3.012  -4.041
   33    HA   ALA   4           HA       ALA   4  -4.334  -5.576  -3.345
   34   1HB   ALA   4          1HB       ALA   4  -4.095  -5.939  -5.686
   35   2HB   ALA   4          2HB       ALA   4  -4.228  -4.214  -6.027
   36   3HB   ALA   4          3HB       ALA   4  -5.629  -5.107  -5.435
   37    H    GLU   5           H        GLU   5  -2.227  -5.862  -5.106
   38    HA   GLU   5           HA       GLU   5  -0.118  -4.687  -3.589
   39   1HB   GLU   5          2HB       GLU   5   1.312  -5.909  -5.350
   40   2HB   GLU   5          1HB       GLU   5   0.372  -6.857  -4.209
   41   1HG   GLU   5          2HG       GLU   5  -1.405  -7.005  -5.993
   42   2HG   GLU   5          1HG       GLU   5  -0.210  -6.333  -7.105
   43    H    ALA   6           H        ALA   6   1.255  -3.175  -4.102
   44    HA   ALA   6           HA       ALA   6   2.136  -1.309  -5.014
   45   1HB   ALA   6          1HB       ALA   6   1.324  -1.618  -7.773
   46   2HB   ALA   6          2HB       ALA   6   2.012  -3.112  -7.139
   47   3HB   ALA   6          3HB       ALA   6   2.942  -1.615  -7.072
   48    H    ALA   7           H        ALA   7  -0.418  -1.223  -3.910
   49    HA   ALA   7           HA       ALA   7  -1.825   0.663  -5.687
   50   1HB   ALA   7          1HB       ALA   7  -2.778  -1.524  -4.215
   51   2HB   ALA   7          2HB       ALA   7  -3.716  -0.345  -5.131
   52   3HB   ALA   7          3HB       ALA   7  -3.402  -0.081  -3.416
   53    H    ASP   8           H        ASP   8  -2.286   2.708  -5.053
   54    HA   ASP   8           HA       ASP   8  -0.722   3.997  -3.134
   55   1HB   ASP   8          2HB       ASP   8  -1.715   5.225  -4.974
   56   2HB   ASP   8          1HB       ASP   8  -3.335   4.846  -4.403
   57    H    CYS   9           H        CYS   9  -1.080   4.650  -1.025
   58    HA   CYS   9           HA       CYS   9  -3.627   4.147   0.250
   59   1HB   CYS   9          2HB       CYS   9  -2.620   2.659   1.993
   60   2HB   CYS   9          1HB       CYS   9  -2.727   1.927   0.397
   61    H    SER  10           H        SER  10  -3.203   4.362   2.770
   62    HA   SER  10           HA       SER  10  -1.201   6.307   3.485
   63   1HB   SER  10          2HB       SER  10  -4.149   7.017   3.465
   64   2HB   SER  10          1HB       SER  10  -2.920   7.937   4.333
   65    HG   SER  10           HG       SER  10  -2.401   7.423   1.651
   66    HA   PRO  11           HA       PRO  11  -1.250   4.149   7.284
   67   1HB   PRO  11          2HB       PRO  11  -1.105   6.387   8.982
   68   2HB   PRO  11          1HB       PRO  11   0.251   5.481   8.311
   69   1HG   PRO  11          2HG       PRO  11  -0.982   8.022   7.368
   70   2HG   PRO  11          1HG       PRO  11   0.711   7.506   7.317
   71   1HD   PRO  11          2HD       PRO  11  -0.789   7.508   5.119
   72   2HD   PRO  11          1HD       PRO  11   0.398   6.219   5.418
   73    H    TRP  12           H        TRP  12  -3.420   6.976   7.147
   74    HA   TRP  12           HA       TRP  12  -5.347   5.403   8.715
   75   1HB   TRP  12          2HB       TRP  12  -4.827   8.368   9.019
   76   2HB   TRP  12          1HB       TRP  12  -6.119   7.480   9.816
   77    HD1  TRP  12           HD       TRP  12  -5.337   5.661  11.712
   78    HE1  TRP  12           1HE      TRP  12  -3.286   5.677  13.266
   79    HE3  TRP  12           3HE      TRP  12  -2.440   9.046   9.202
   80    HZ2  TRP  12           2HZ      TRP  12  -0.777   6.960  13.414
   81    HZ3  TRP  12           3HZ      TRP  12  -0.230   9.617  10.122
   82    HH2  TRP  12           HH       TRP  12   0.582   8.595  12.183
   83    H    SER  13           H        SER  13  -5.011   8.260   6.629
   84    HA   SER  13           HA       SER  13  -7.762   8.196   5.839
   85   1HB   SER  13          2HB       SER  13  -5.509   9.742   4.550
   86   2HB   SER  13          1HB       SER  13  -7.231  10.122   4.519
   87    HG   SER  13           HG       SER  13  -6.933  11.179   6.296
   88    H    GLY  14           H        GLY  14  -7.169   5.732   5.213
   89   1HA   GLY  14          2HA       GLY  14  -7.446   5.634   2.375
   90   2HA   GLY  14          1HA       GLY  14  -5.840   5.115   2.867
   91    H    ASP  15           H        ASP  15  -7.861   3.558   1.560
   92    HA   ASP  15           HA       ASP  15  -9.226   1.829   3.307
   93   1HB   ASP  15          2HB       ASP  15  -8.399   1.698   0.438
   94   2HB   ASP  15          1HB       ASP  15  -8.950   0.222   1.220
   95    H    SER  16           H        SER  16  -8.761  -0.416   3.756
   96    HA   SER  16           HA       SER  16  -6.031  -0.783   4.566
   97   1HB   SER  16          2HB       SER  16  -8.172  -2.885   4.701
   98   2HB   SER  16          1HB       SER  16  -6.792  -2.655   5.772
   99    HG   SER  16           HG       SER  16  -8.064  -0.443   5.999
  100    H    CYS  17           H        CYS  17  -4.570  -2.224   3.745
  101    HA   CYS  17           HA       CYS  17  -4.902  -2.957   0.992
  102   1HB   CYS  17          2HB       CYS  17  -2.664  -3.866   2.804
  103   2HB   CYS  17          1HB       CYS  17  -2.627  -3.642   1.061
  104    H    CYS  18           H        CYS  18  -5.055  -5.037   0.136
  105    HA   CYS  18           HA       CYS  18  -6.456  -6.995   1.618
  106   1HB   CYS  18          2HB       CYS  18  -4.920  -7.379  -0.967
  107   2HB   CYS  18          1HB       CYS  18  -6.195  -8.415  -0.345
  108    H    LYS  19           H        LYS  19  -5.761  -9.000   2.347
  109    HA   LYS  19           HA       LYS  19  -3.076  -8.989   3.354
  110   1HB   LYS  19          2HB       LYS  19  -3.766 -11.133   4.407
  111   2HB   LYS  19          1HB       LYS  19  -4.816  -9.787   4.799
  112   1HG   LYS  19          2HG       LYS  19  -6.435 -10.574   3.147
  113   2HG   LYS  19          1HG       LYS  19  -5.376 -11.929   2.758
  114   1HD   LYS  19          2HD       LYS  19  -6.520 -11.391   5.491
  115   2HD   LYS  19          1HD       LYS  19  -7.228 -12.503   4.319
  116   1HE   LYS  19          2HE       LYS  19  -5.145 -13.806   4.323
  117   2HE   LYS  19          1HE       LYS  19  -4.467 -12.703   5.520
  118   1HZ   LYS  19          1HZ       LYS  19  -5.262 -14.545   6.711
  119   2HZ   LYS  19          2HZ       LYS  19  -6.720 -14.593   5.855
  120   3HZ   LYS  19          3HZ       LYS  19  -6.425 -13.339   6.951
  121    HA   PRO  20           HA       PRO  20  -1.630  -9.993   3.955
  122   1HB   PRO  20          2HB       PRO  20   0.793 -11.090   3.784
  123   2HB   PRO  20          1HB       PRO  20  -0.634 -12.087   4.087
  124   1HG   PRO  20          2HG       PRO  20   1.011 -11.861   1.646
  125   2HG   PRO  20          1HG       PRO  20  -0.041 -13.185   2.174
  126   1HD   PRO  20          2HD       PRO  20  -0.630 -11.034   0.317
  127   2HD   PRO  20          1HD       PRO  20  -1.632 -12.438   0.741
  128    H    TYR  21           H        TYR  21  -1.630  -8.347   1.447
  129    HA   TYR  21           HA       TYR  21   1.040  -7.305   1.147
  130   1HB   TYR  21          2HB       TYR  21  -1.509  -5.903   0.287
  131   2HB   TYR  21          1HB       TYR  21   0.114  -5.696  -0.357
  132    HD1  TYR  21           1HD      TYR  21  -2.921  -7.706  -0.483
  133    HD2  TYR  21           2HD      TYR  21   1.109  -7.423  -1.799
  134    HE1  TYR  21           1HE      TYR  21  -3.377  -9.387  -2.220
  135    HE2  TYR  21           2HE      TYR  21   0.667  -9.098  -3.540
  136    HH   TYR  21           HH       TYR  21  -1.216  -9.996  -4.801
  137    H    LEU  22           H        LEU  22   1.708  -5.138   1.706
  138    HA   LEU  22           HA       LEU  22   0.224  -3.997   3.975
  139   1HB   LEU  22          2HB       LEU  22   1.998  -5.389   4.872
  140   2HB   LEU  22          1HB       LEU  22   3.180  -4.580   3.862
  141    HG   LEU  22           HG       LEU  22   2.723  -2.467   5.117
  142   1HD1  LEU  22          1HD1      LEU  22   1.642  -2.906   7.416
  143   2HD1  LEU  22          2HD1      LEU  22   0.911  -4.307   6.632
  144   3HD1  LEU  22          3HD1      LEU  22   0.593  -2.686   6.016
  145   1HD2  LEU  22          1HD2      LEU  22   3.525  -3.942   7.380
  146   2HD2  LEU  22          2HD2      LEU  22   4.543  -3.096   6.215
  147   3HD2  LEU  22          3HD2      LEU  22   4.142  -4.796   5.965
  148    H    CYS  23           H        CYS  23   0.195  -1.822   4.116
  149    HA   CYS  23           HA       CYS  23   0.895  -0.265   1.843
  150   1HB   CYS  23          2HB       CYS  23  -1.036   0.257   3.292
  151   2HB   CYS  23          1HB       CYS  23   0.059   0.610   4.622
  152    H    SER  24           H        SER  24   2.855   0.536   1.372
  153    HA   SER  24           HA       SER  24   4.801   0.694   3.551
  154   1HB   SER  24          2HB       SER  24   6.528   0.709   1.782
  155   2HB   SER  24          1HB       SER  24   5.488  -0.710   1.682
  156    HG   SER  24           HG       SER  24   4.301   0.453   0.037
  157    H    CYS  25           H        CYS  25   5.427   2.531   4.332
  158    HA   CYS  25           HA       CYS  25   5.050   5.004   2.772
  159   1HB   CYS  25          2HB       CYS  25   4.708   4.496   5.735
  160   2HB   CYS  25          1HB       CYS  25   4.932   6.114   5.083
  161    H    ILE  26           H        ILE  26   7.294   3.824   2.233
  162    HA   ILE  26           HA       ILE  26   9.426   4.149   4.078
  163    HB   ILE  26           HB       ILE  26  10.883   3.763   2.047
  164   1HG1  ILE  26          2HG1      ILE  26   8.196   3.313   0.722
  165   2HG1  ILE  26          1HG1      ILE  26   9.279   4.657   0.377
  166   1HG2  ILE  26          1HG2      ILE  26   9.051   1.507   1.979
  167   2HG2  ILE  26          2HG2      ILE  26   9.407   2.060   3.616
  168   3HG2  ILE  26          3HG2      ILE  26  10.722   1.597   2.535
  169   1HD1  ILE  26          1HD1      ILE  26   9.232   2.543  -1.152
  170   2HD1  ILE  26          2HD1      ILE  26  10.294   1.876   0.086
  171   3HD1  ILE  26          3HD1      ILE  26  10.758   3.344  -0.774
  172    H    PHE  27           H        PHE  27   8.244   6.589   4.076
  173    HA   PHE  27           HA       PHE  27   8.669   8.807   3.996
  174   1HB   PHE  27          2HB       PHE  27  11.430   7.727   3.492
  175   2HB   PHE  27          1HB       PHE  27  11.120   9.454   3.562
  176    HD1  PHE  27           1HD      PHE  27  11.823  10.365   5.533
  177    HD2  PHE  27           2HD      PHE  27  10.015   6.514   5.597
  178    HE1  PHE  27           1HE      PHE  27  12.043  10.307   7.982
  179    HE2  PHE  27           2HE      PHE  27  10.229   6.450   8.046
  180    HZ   PHE  27           HZ       PHE  27  11.244   8.349   9.243
  181    H    PHE  28           H        PHE  28   8.033   7.250   1.468
  182    HA   PHE  28           HA       PHE  28   8.752   9.397  -0.409
  183   1HB   PHE  28          2HB       PHE  28   8.556   6.444  -0.869
  184   2HB   PHE  28          1HB       PHE  28   8.282   7.559  -2.189
  185    HD1  PHE  28           1HD      PHE  28  10.803   7.594   0.571
  186    HD2  PHE  28           2HD      PHE  28  10.064   7.407  -3.614
  187    HE1  PHE  28           1HE      PHE  28  13.222   7.706   0.143
  188    HE2  PHE  28           2HE      PHE  28  12.482   7.517  -4.050
  189    HZ   PHE  28           HZ       PHE  28  14.065   7.667  -2.170
  190    H    TYR  29           H        TYR  29   7.142  10.383  -1.361
  191    HA   TYR  29           HA       TYR  29   4.424   9.596  -0.683
  192   1HB   TYR  29          2HB       TYR  29   5.161  11.954  -0.351
  193   2HB   TYR  29          1HB       TYR  29   5.408  12.093  -2.088
  194    HD1  TYR  29           1HD      TYR  29   2.702  10.991   0.254
  195    HD2  TYR  29           2HD      TYR  29   3.732  13.141  -3.270
  196    HE1  TYR  29           1HE      TYR  29   0.349  11.645  -0.027
  197    HE2  TYR  29           2HE      TYR  29   1.381  13.803  -3.559
  198    HH   TYR  29           HH       TYR  29  -1.143  12.341  -2.012
  199    HA   PRO  30           HA       PRO  30   2.739   9.198  -1.040
  200   1HB   PRO  30          2HB       PRO  30   0.683   7.810  -2.040
  201   2HB   PRO  30          1HB       PRO  30   0.931   9.510  -2.453
  202   1HG   PRO  30          2HG       PRO  30   1.311   7.105  -4.112
  203   2HG   PRO  30          1HG       PRO  30   1.046   8.783  -4.610
  204   1HD   PRO  30          2HD       PRO  30   3.544   7.333  -4.405
  205   2HD   PRO  30          1HD       PRO  30   3.265   8.974  -5.022
  206    H    CYS  31           H        CYS  31   1.575   7.267   0.071
  207    HA   CYS  31           HA       CYS  31   3.483   5.116   0.310
  208   1HB   CYS  31          2HB       CYS  31   0.805   5.526   1.659
  209   2HB   CYS  31          1HB       CYS  31   1.958   4.268   2.067
  210    H    SER  32           H        SER  32   2.970   2.872  -0.102
  211    HA   SER  32           HA       SER  32   0.509   2.365  -1.564
  212   1HB   SER  32          2HB       SER  32   1.970   1.254  -3.414
  213   2HB   SER  32          1HB       SER  32   1.722   3.000  -3.442
  214    HG   SER  32           HG       SER  32   3.752   3.177  -2.312
  215    H    CYS  33           H        CYS  33  -0.248   0.342  -1.317
  216    HA   CYS  33           HA       CYS  33   1.020  -1.414   0.526
  217   1HB   CYS  33          2HB       CYS  33  -1.171  -2.244  -1.382
  218   2HB   CYS  33          1HB       CYS  33  -0.817  -2.882   0.213
  219    H    ARG  34           H        ARG  34   2.408  -2.985   0.159
  220    HA   ARG  34           HA       ARG  34   2.996  -3.734  -2.634
  221   1HB   ARG  34          2HB       ARG  34   4.915  -3.468  -0.305
  222   2HB   ARG  34          1HB       ARG  34   5.345  -4.021  -1.917
  223   1HG   ARG  34          2HG       ARG  34   4.228  -1.297  -1.298
  224   2HG   ARG  34          1HG       ARG  34   5.947  -1.665  -1.463
  225   1HD   ARG  34          2HD       ARG  34   5.716  -2.209  -3.740
  226   2HD   ARG  34          1HD       ARG  34   3.959  -2.297  -3.622
  227    HE   ARG  34           HE       ARG  34   4.630   0.291  -2.942
  228   1HH1  ARG  34          1HH1      ARG  34   5.090  -1.768  -5.737
  229   2HH1  ARG  34          2HH1      ARG  34   4.980  -0.467  -6.874
  230   1HH2  ARG  34          1HH2      ARG  34   4.463   2.004  -4.424
  231   2HH2  ARG  34          2HH2      ARG  34   4.627   1.691  -6.125
  232    HA   PRO  35           HA       PRO  35   2.270  -7.951  -1.568
  233   1HB   PRO  35          2HB       PRO  35   4.792  -8.626  -2.967
  234   2HB   PRO  35          1HB       PRO  35   3.148  -9.185  -3.286
  235   1HG   PRO  35          2HG       PRO  35   4.380  -7.428  -4.898
  236   2HG   PRO  35          1HG       PRO  35   2.635  -7.356  -4.591
  237   1HD   PRO  35          2HD       PRO  35   4.823  -5.646  -3.502
  238   2HD   PRO  35          1HD       PRO  35   3.157  -5.215  -3.933
  239    H    LYS  36           H        LYS  36   2.944  -9.422   0.009
  240    HA   LYS  36           HA       LYS  36   4.990  -8.449   1.752
  241   1HB   LYS  36          2HB       LYS  36   2.938  -9.441   2.656
  242   2HB   LYS  36          1HB       LYS  36   3.351 -10.981   1.916
  243   1HG   LYS  36          2HG       LYS  36   5.002 -11.432   3.441
  244   2HG   LYS  36          1HG       LYS  36   5.287  -9.728   3.799
  245   1HD   LYS  36          2HD       LYS  36   2.778 -11.207   4.576
  246   2HD   LYS  36          1HD       LYS  36   4.175 -11.018   5.640
  247   1HE   LYS  36          2HE       LYS  36   3.947  -8.620   5.590
  248   2HE   LYS  36          1HE       LYS  36   2.659  -8.728   4.392
  249   1HZ   LYS  36          1HZ       LYS  36   1.856 -10.295   6.515
  250   2HZ   LYS  36          2HZ       LYS  36   1.243  -8.782   6.073
  251   3HZ   LYS  36          3HZ       LYS  36   2.487  -8.889   7.214
  252    H    GLY  37           H        GLY  37   7.036  -8.963   1.732
  253   1HA   GLY  37          2HA       GLY  37   8.492 -11.121   1.635
  254   2HA   GLY  37          1HA       GLY  37   7.955 -11.106  -0.043
  255    H    TRP  38           H        TRP  38   7.883  -8.184  -0.095
  256    HA   TRP  38           HA       TRP  38  10.674  -7.727  -0.720
  257   1HB   TRP  38          2HB       TRP  38   8.147  -6.139  -1.187
  258   2HB   TRP  38          1HB       TRP  38   9.739  -5.457  -1.492
  259    HD1  TRP  38           HD       TRP  38  10.627  -5.777  -3.856
  260    HE1  TRP  38           1HE      TRP  38  10.067  -7.295  -5.855
  261    HE3  TRP  38           3HE      TRP  38   7.107  -8.762  -1.655
  262    HZ2  TRP  38           2HZ      TRP  38   8.358  -9.466  -6.428
  263    HZ3  TRP  38           3HZ      TRP  38   6.057 -10.534  -3.000
  264    HH2  TRP  38           HH       TRP  38   6.670 -10.876  -5.338
  Start of MODEL   17
    1   1H    LYS   1          1HT       LYS   1 -13.198  -4.306   0.873
    2   2H    LYS   1          2HT       LYS   1 -13.561  -5.288  -0.456
    3    H    LYS   1           H        LYS   1 -13.521  -4.156   0.881
    4   3H    LYS   1          3HT       LYS   1 -14.476  -3.896  -0.161
    5    HA   LYS   1           HA       LYS   1 -12.440  -4.033  -1.887
    6   1HB   LYS   1          2HB       LYS   1 -12.464  -1.525  -1.732
    7   2HB   LYS   1          1HB       LYS   1 -14.058  -2.253  -1.861
    8   1HG   LYS   1          2HG       LYS   1 -14.713  -1.332   0.049
    9   2HG   LYS   1          1HG       LYS   1 -13.295  -1.941   0.902
   10   1HD   LYS   1          2HD       LYS   1 -13.328   0.464   1.042
   11   2HD   LYS   1          1HD       LYS   1 -11.990  -0.035   0.008
   12   1HE   LYS   1          2HE       LYS   1 -13.396   0.435  -1.973
   13   2HE   LYS   1          1HE       LYS   1 -14.671   1.013  -0.900
   14   1HZ   LYS   1          1HZ       LYS   1 -11.999   2.201  -1.387
   15   2HZ   LYS   1          2HZ       LYS   1 -12.921   2.618  -0.032
   16   3HZ   LYS   1          3HZ       LYS   1 -13.522   2.921  -1.585
   17    H    CYS   2           H        CYS   2 -10.269  -3.664  -1.964
   18    HA   CYS   2           HA       CYS   2  -8.808  -2.553   0.235
   19   1HB   CYS   2          2HB       CYS   2  -7.401  -4.580   0.618
   20   2HB   CYS   2          1HB       CYS   2  -9.057  -4.758   1.177
   21    H    LEU   3           H        LEU   3  -6.567  -2.335  -0.252
   22    HA   LEU   3           HA       LEU   3  -6.145  -1.767  -3.035
   23   1HB   LEU   3          2HB       LEU   3  -4.337  -1.500  -0.636
   24   2HB   LEU   3          1HB       LEU   3  -4.013  -0.838  -2.224
   25    HG   LEU   3           HG       LEU   3  -6.381  -0.076  -0.523
   26   1HD1  LEU   3          1HD1      LEU   3  -4.023   1.677  -1.058
   27   2HD1  LEU   3          2HD1      LEU   3  -4.026   0.553   0.301
   28   3HD1  LEU   3          3HD1      LEU   3  -5.257   1.813   0.195
   29   1HD2  LEU   3          1HD2      LEU   3  -5.265   1.113  -3.060
   30   2HD2  LEU   3          2HD2      LEU   3  -6.593   1.782  -2.113
   31   3HD2  LEU   3          3HD2      LEU   3  -6.774   0.214  -2.902
   32    H    ALA   4           H        ALA   4  -4.902  -2.864  -4.474
   33    HA   ALA   4           HA       ALA   4  -4.158  -5.553  -3.820
   34   1HB   ALA   4          1HB       ALA   4  -4.556  -3.972  -6.222
   35   2HB   ALA   4          2HB       ALA   4  -4.781  -5.700  -5.952
   36   3HB   ALA   4          3HB       ALA   4  -3.182  -5.070  -6.348
   37    H    GLU   5           H        GLU   5  -1.945  -6.043  -5.364
   38    HA   GLU   5           HA       GLU   5   0.144  -5.245  -3.593
   39   1HB   GLU   5          2HB       GLU   5   1.613  -6.518  -5.245
   40   2HB   GLU   5          1HB       GLU   5   0.371  -7.435  -4.407
   41   1HG   GLU   5          2HG       GLU   5  -0.134  -6.304  -7.130
   42   2HG   GLU   5          1HG       GLU   5   0.733  -7.825  -6.921
   43    H    ALA   6           H        ALA   6   1.599  -3.751  -3.777
   44    HA   ALA   6           HA       ALA   6   2.733  -1.913  -4.450
   45   1HB   ALA   6          1HB       ALA   6   3.946  -2.433  -6.236
   46   2HB   ALA   6          2HB       ALA   6   2.588  -2.015  -7.280
   47   3HB   ALA   6          3HB       ALA   6   2.772  -3.667  -6.693
   48    H    ALA   7           H        ALA   7   0.009  -1.682  -3.901
   49    HA   ALA   7           HA       ALA   7  -0.925   0.297  -5.876
   50   1HB   ALA   7          1HB       ALA   7  -2.273  -1.776  -4.586
   51   2HB   ALA   7          2HB       ALA   7  -2.983  -0.488  -5.560
   52   3HB   ALA   7          3HB       ALA   7  -2.848  -0.300  -3.811
   53    H    ASP   8           H        ASP   8  -1.368   2.415  -5.272
   54    HA   ASP   8           HA       ASP   8   0.078   3.430  -3.071
   55   1HB   ASP   8          2HB       ASP   8  -0.726   5.589  -3.696
   56   2HB   ASP   8          1HB       ASP   8  -0.455   4.691  -5.183
   57    H    CYS   9           H        CYS   9  -0.631   4.396  -1.160
   58    HA   CYS   9           HA       CYS   9  -3.395   3.941  -0.357
   59   1HB   CYS   9          2HB       CYS   9  -2.366   3.137   1.925
   60   2HB   CYS   9          1HB       CYS   9  -2.658   2.004   0.617
   61    H    SER  10           H        SER  10  -4.103   5.184   1.329
   62    HA   SER  10           HA       SER  10  -2.740   7.707   1.587
   63   1HB   SER  10          2HB       SER  10  -5.277   6.793   2.957
   64   2HB   SER  10          1HB       SER  10  -4.742   8.455   2.692
   65    HG   SER  10           HG       SER  10  -4.765   7.335   0.327
   66    HA   PRO  11           HA       PRO  11  -0.470   6.591   5.225
   67   1HB   PRO  11          2HB       PRO  11   0.205   9.105   6.008
   68   2HB   PRO  11          1HB       PRO  11   0.967   8.280   4.641
   69   1HG   PRO  11          2HG       PRO  11  -1.287  10.263   4.627
   70   2HG   PRO  11          1HG       PRO  11   0.166  10.233   3.620
   71   1HD   PRO  11          2HD       PRO  11  -2.156   9.328   2.686
   72   2HD   PRO  11          1HD       PRO  11  -0.633   8.501   2.291
   73    H    TRP  12           H        TRP  12  -2.698   9.366   5.597
   74    HA   TRP  12           HA       TRP  12  -2.934   8.905   8.417
   75   1HB   TRP  12          2HB       TRP  12  -4.516  10.749   6.617
   76   2HB   TRP  12          1HB       TRP  12  -4.560  10.754   8.376
   77    HD1  TRP  12           HD       TRP  12  -2.237  11.532   9.628
   78    HE1  TRP  12           1HE      TRP  12  -0.443  13.210   8.861
   79    HE3  TRP  12           3HE      TRP  12  -3.356  11.695   4.642
   80    HZ2  TRP  12           2HZ      TRP  12   0.381  14.448   6.462
   81    HZ3  TRP  12           3HZ      TRP  12  -2.022  13.158   3.181
   82    HH2  TRP  12           HH       TRP  12  -0.192  14.505   4.074
   83    H    SER  13           H        SER  13  -5.193   8.651   5.673
   84    HA   SER  13           HA       SER  13  -6.490   6.380   6.874
   85   1HB   SER  13          2HB       SER  13  -8.025   8.984   6.641
   86   2HB   SER  13          1HB       SER  13  -8.749   7.417   6.988
   87    HG   SER  13           HG       SER  13  -6.704   7.890   8.678
   88    H    GLY  14           H        GLY  14  -7.416   5.128   5.359
   89   1HA   GLY  14          2HA       GLY  14  -8.660   6.027   3.002
   90   2HA   GLY  14          1HA       GLY  14  -6.997   5.584   2.632
   91    H    ASP  15           H        ASP  15  -7.976   3.904   1.271
   92    HA   ASP  15           HA       ASP  15  -9.502   1.806   2.444
   93   1HB   ASP  15          2HB       ASP  15  -8.018   2.033  -0.162
   94   2HB   ASP  15          1HB       ASP  15  -8.775   0.531   0.332
   95    H    SER  16           H        SER  16  -8.885  -0.247   3.023
   96    HA   SER  16           HA       SER  16  -6.216  -0.452   4.077
   97   1HB   SER  16          2HB       SER  16  -8.330  -2.595   4.127
   98   2HB   SER  16          1HB       SER  16  -6.982  -2.374   5.241
   99    HG   SER  16           HG       SER  16  -8.375  -0.142   5.289
  100    H    CYS  17           H        CYS  17  -4.675  -1.964   3.489
  101    HA   CYS  17           HA       CYS  17  -4.681  -2.726   0.725
  102   1HB   CYS  17          2HB       CYS  17  -2.728  -3.659   2.836
  103   2HB   CYS  17          1HB       CYS  17  -2.457  -3.505   1.105
  104    H    CYS  18           H        CYS  18  -4.861  -4.813  -0.125
  105    HA   CYS  18           HA       CYS  18  -6.455  -6.681   1.274
  106   1HB   CYS  18          2HB       CYS  18  -4.715  -7.153  -1.164
  107   2HB   CYS  18          1HB       CYS  18  -6.007  -8.204  -0.599
  108    H    LYS  19           H        LYS  19  -5.869  -8.594   2.292
  109    HA   LYS  19           HA       LYS  19  -3.241  -8.555   3.436
  110   1HB   LYS  19          2HB       LYS  19  -5.073 -10.884   3.768
  111   2HB   LYS  19          1HB       LYS  19  -4.010 -10.126   4.933
  112   1HG   LYS  19          2HG       LYS  19  -5.513  -8.250   5.162
  113   2HG   LYS  19          1HG       LYS  19  -6.572  -8.921   3.921
  114   1HD   LYS  19          2HD       LYS  19  -5.929 -10.222   6.566
  115   2HD   LYS  19          1HD       LYS  19  -7.415  -9.351   6.186
  116   1HE   LYS  19          2HE       LYS  19  -7.927 -10.974   4.435
  117   2HE   LYS  19          1HE       LYS  19  -6.430 -11.836   4.787
  118   1HZ   LYS  19          1HZ       LYS  19  -7.893 -11.541   7.167
  119   2HZ   LYS  19          2HZ       LYS  19  -7.479 -12.966   6.357
  120   3HZ   LYS  19          3HZ       LYS  19  -8.925 -12.172   5.984
  121    HA   PRO  20           HA       PRO  20  -1.952  -9.602   4.276
  122   1HB   PRO  20          2HB       PRO  20   0.445 -10.783   4.415
  123   2HB   PRO  20          1HB       PRO  20  -1.046 -11.698   4.664
  124   1HG   PRO  20          2HG       PRO  20   0.821 -11.747   2.381
  125   2HG   PRO  20          1HG       PRO  20  -0.349 -12.970   2.902
  126   1HD   PRO  20          2HD       PRO  20  -0.638 -10.943   0.843
  127   2HD   PRO  20          1HD       PRO  20  -1.745 -12.269   1.257
  128    H    TYR  21           H        TYR  21  -1.700  -8.034   1.788
  129    HA   TYR  21           HA       TYR  21   1.043  -7.143   1.600
  130   1HB   TYR  21          2HB       TYR  21  -1.399  -5.719   0.506
  131   2HB   TYR  21          1HB       TYR  21   0.266  -5.576  -0.041
  132    HD1  TYR  21           1HD      TYR  21  -2.441  -6.388  -1.506
  133    HD2  TYR  21           2HD      TYR  21   0.949  -8.530  -0.085
  134    HE1  TYR  21           1HE      TYR  21  -2.848  -8.138  -3.185
  135    HE2  TYR  21           2HE      TYR  21   0.552 -10.283  -1.759
  136    HH   TYR  21           HH       TYR  21  -1.446  -9.893  -4.397
  137    H    LEU  22           H        LEU  22   1.909  -5.222   2.313
  138    HA   LEU  22           HA       LEU  22   0.320  -3.814   4.358
  139   1HB   LEU  22          2HB       LEU  22   2.049  -5.180   5.362
  140   2HB   LEU  22          1HB       LEU  22   3.263  -4.461   4.324
  141    HG   LEU  22           HG       LEU  22   2.846  -2.267   5.444
  142   1HD1  LEU  22          1HD1      LEU  22   0.516  -3.206   6.257
  143   2HD1  LEU  22          2HD1      LEU  22   1.392  -1.985   7.176
  144   3HD1  LEU  22          3HD1      LEU  22   1.467  -3.678   7.664
  145   1HD2  LEU  22          1HD2      LEU  22   4.488  -4.236   6.178
  146   2HD2  LEU  22          2HD2      LEU  22   3.518  -4.125   7.646
  147   3HD2  LEU  22          3HD2      LEU  22   4.382  -2.707   7.049
  148    H    CYS  23           H        CYS  23   0.295  -1.634   4.350
  149    HA   CYS  23           HA       CYS  23   1.137  -0.233   2.012
  150   1HB   CYS  23          2HB       CYS  23  -0.902   0.382   3.247
  151   2HB   CYS  23          1HB       CYS  23   0.069   0.809   4.650
  152    H    SER  24           H        SER  24   3.114   0.547   1.628
  153    HA   SER  24           HA       SER  24   4.910   0.927   3.914
  154   1HB   SER  24          2HB       SER  24   6.750   0.782   2.265
  155   2HB   SER  24          1HB       SER  24   5.725  -0.651   2.237
  156    HG   SER  24           HG       SER  24   4.617   0.399   0.430
  157    H    CYS  25           H        CYS  25   5.598   2.865   4.476
  158    HA   CYS  25           HA       CYS  25   5.085   5.134   2.677
  159   1HB   CYS  25          2HB       CYS  25   5.108   5.055   5.706
  160   2HB   CYS  25          1HB       CYS  25   4.965   6.525   4.748
  161    H    ILE  26           H        ILE  26   7.222   4.276   1.881
  162    HA   ILE  26           HA       ILE  26   9.576   4.589   3.427
  163    HB   ILE  26           HB       ILE  26  10.744   4.458   1.189
  164   1HG1  ILE  26          2HG1      ILE  26   7.919   3.966   0.209
  165   2HG1  ILE  26          1HG1      ILE  26   8.877   5.398  -0.152
  166   1HG2  ILE  26          1HG2      ILE  26  10.400   2.121   1.023
  167   2HG2  ILE  26          2HG2      ILE  26   8.774   2.243   1.695
  168   3HG2  ILE  26          3HG2      ILE  26  10.178   2.548   2.720
  169   1HD1  ILE  26          1HD1      ILE  26   9.117   2.635  -1.205
  170   2HD1  ILE  26          2HD1      ILE  26  10.579   3.611  -1.065
  171   3HD1  ILE  26          3HD1      ILE  26   9.228   4.183  -2.043
  172    H    PHE  27           H        PHE  27   8.311   6.944   3.825
  173    HA   PHE  27           HA       PHE  27   8.613   9.180   3.899
  174   1HB   PHE  27          2HB       PHE  27  11.318   8.301   2.931
  175   2HB   PHE  27          1HB       PHE  27  10.950   9.999   3.191
  176    HD1  PHE  27           1HD      PHE  27  11.876  10.783   5.124
  177    HD2  PHE  27           2HD      PHE  27  10.250   6.850   5.089
  178    HE1  PHE  27           1HE      PHE  27  12.425  10.538   7.509
  179    HE2  PHE  27           2HE      PHE  27  10.793   6.601   7.475
  180    HZ   PHE  27           HZ       PHE  27  11.882   8.446   8.688
  181    H    PHE  28           H        PHE  28   7.608   7.905   1.358
  182    HA   PHE  28           HA       PHE  28   7.919  10.303  -0.307
  183   1HB   PHE  28          2HB       PHE  28   8.053   7.439  -1.186
  184   2HB   PHE  28          1HB       PHE  28   7.501   8.681  -2.291
  185    HD1  PHE  28           1HD      PHE  28  10.354   8.179   0.086
  186    HD2  PHE  28           2HD      PHE  28   9.049   9.481  -3.748
  187    HE1  PHE  28           1HE      PHE  28  12.679   8.691  -0.528
  188    HE2  PHE  28           2HE      PHE  28  11.372   9.995  -4.369
  189    HZ   PHE  28           HZ       PHE  28  13.192   9.600  -2.758
  190    H    TYR  29           H        TYR  29   6.095  11.147  -0.999
  191    HA   TYR  29           HA       TYR  29   3.594   9.899  -0.171
  192   1HB   TYR  29          2HB       TYR  29   4.169  12.332   0.337
  193   2HB   TYR  29          1HB       TYR  29   3.945  12.648  -1.380
  194    HD1  TYR  29           1HD      TYR  29   2.083  10.777   1.273
  195    HD2  TYR  29           2HD      TYR  29   1.922  13.629  -1.881
  196    HE1  TYR  29           1HE      TYR  29  -0.331  11.045   1.646
  197    HE2  TYR  29           2HE      TYR  29  -0.495  13.905  -1.513
  198    HH   TYR  29           HH       TYR  29  -2.214  13.447  -0.125
  199    HA   PRO  30           HA       PRO  30   1.920   9.327  -0.434
  200   1HB   PRO  30          2HB       PRO  30   0.065   7.654  -1.372
  201   2HB   PRO  30          1HB       PRO  30  -0.049   9.393  -1.661
  202   1HG   PRO  30          2HG       PRO  30   0.688   7.215  -3.529
  203   2HG   PRO  30          1HG       PRO  30  -0.068   8.780  -3.867
  204   1HD   PRO  30          2HD       PRO  30   2.691   8.075  -4.130
  205   2HD   PRO  30          1HD       PRO  30   1.947   9.664  -4.393
  206    H    CYS  31           H        CYS  31   1.191   7.071   0.483
  207    HA   CYS  31           HA       CYS  31   3.521   5.381   0.464
  208   1HB   CYS  31          2HB       CYS  31   0.861   4.983   1.858
  209   2HB   CYS  31          1HB       CYS  31   2.361   4.135   2.211
  210    H    SER  32           H        SER  32   3.051   2.877   0.322
  211    HA   SER  32           HA       SER  32   0.938   2.246  -1.559
  212   1HB   SER  32          2HB       SER  32   2.689   1.171  -3.125
  213   2HB   SER  32          1HB       SER  32   2.473   2.921  -3.192
  214    HG   SER  32           HG       SER  32   4.271   2.987  -1.626
  215    H    CYS  33           H        CYS  33   0.152   0.291  -1.216
  216    HA   CYS  33           HA       CYS  33   1.226  -1.441   0.767
  217   1HB   CYS  33          2HB       CYS  33  -0.856  -2.209  -1.279
  218   2HB   CYS  33          1HB       CYS  33  -0.651  -2.836   0.349
  219    H    ARG  34           H        ARG  34   2.655  -2.988   0.545
  220    HA   ARG  34           HA       ARG  34   3.367  -3.901  -2.168
  221   1HB   ARG  34          2HB       ARG  34   5.143  -3.690   0.275
  222   2HB   ARG  34          1HB       ARG  34   5.643  -4.228  -1.322
  223   1HG   ARG  34          2HG       ARG  34   4.582  -1.479  -0.710
  224   2HG   ARG  34          1HG       ARG  34   6.293  -1.900  -0.799
  225   1HD   ARG  34          2HD       ARG  34   6.127  -2.436  -3.104
  226   2HD   ARG  34          1HD       ARG  34   4.367  -2.375  -3.058
  227    HE   ARG  34           HE       ARG  34   5.210   0.134  -2.307
  228   1HH1  ARG  34          1HH1      ARG  34   5.660  -1.917  -5.106
  229   2HH1  ARG  34          2HH1      ARG  34   5.729  -0.598  -6.225
  230   1HH2  ARG  34          1HH2      ARG  34   5.282   1.877  -3.767
  231   2HH2  ARG  34          2HH2      ARG  34   5.524   1.573  -5.460
  232    HA   PRO  35           HA       PRO  35   2.295  -8.038  -1.077
  233   1HB   PRO  35          2HB       PRO  35   4.846  -8.886  -2.321
  234   2HB   PRO  35          1HB       PRO  35   3.192  -9.358  -2.716
  235   1HG   PRO  35          2HG       PRO  35   4.590  -7.703  -4.291
  236   2HG   PRO  35          1HG       PRO  35   2.843  -7.511  -4.056
  237   1HD   PRO  35          2HD       PRO  35   5.098  -5.944  -2.889
  238   2HD   PRO  35          1HD       PRO  35   3.492  -5.399  -3.407
  239    H    LYS  36           H        LYS  36   2.706  -9.500   0.554
  240    HA   LYS  36           HA       LYS  36   4.779  -8.788   2.410
  241   1HB   LYS  36          2HB       LYS  36   2.546  -9.483   3.198
  242   2HB   LYS  36          1HB       LYS  36   2.798 -11.077   2.499
  243   1HG   LYS  36          2HG       LYS  36   4.759 -11.348   4.025
  244   2HG   LYS  36          1HG       LYS  36   4.283  -9.836   4.804
  245   1HD   LYS  36          2HD       LYS  36   2.253 -10.756   5.574
  246   2HD   LYS  36          1HD       LYS  36   2.393 -12.154   4.505
  247   1HE   LYS  36          2HE       LYS  36   4.195 -11.530   6.841
  248   2HE   LYS  36          1HE       LYS  36   2.909 -12.737   6.826
  249   1HZ   LYS  36          1HZ       LYS  36   4.198 -14.191   5.760
  250   2HZ   LYS  36          2HZ       LYS  36   5.500 -13.198   6.184
  251   3HZ   LYS  36          3HZ       LYS  36   4.777 -13.039   4.662
  252    H    GLY  37           H        GLY  37   6.406  -9.235   0.714
  253   1HA   GLY  37          2HA       GLY  37   8.269 -10.985   1.178
  254   2HA   GLY  37          1HA       GLY  37   7.097 -12.072   0.440
  255    H    TRP  38           H        TRP  38   7.873  -8.726  -0.342
  256    HA   TRP  38           HA       TRP  38   7.996  -9.325  -3.136
  257   1HB   TRP  38          2HB       TRP  38   8.314  -6.978  -3.477
  258   2HB   TRP  38          1HB       TRP  38   7.145  -7.158  -2.178
  259    HD1  TRP  38           HD       TRP  38  10.891  -6.309  -2.665
  260    HE1  TRP  38           1HE      TRP  38  11.625  -4.778  -0.737
  261    HE3  TRP  38           3HE      TRP  38   6.585  -6.341   0.092
  262    HZ2  TRP  38           2HZ      TRP  38  10.532  -3.720   1.637
  263    HZ3  TRP  38           3HZ      TRP  38   6.514  -5.043   2.180
  264    HH2  TRP  38           HH       TRP  38   8.447  -3.760   2.935
  Start of MODEL   18
    1   1H    LYS   1          1HT       LYS   1 -13.645  -1.025   0.138
    2   2H    LYS   1          2HT       LYS   1 -12.172  -0.183   0.083
    3    H    LYS   1           H        LYS   1 -12.519  -1.230   1.272
    4   3H    LYS   1          3HT       LYS   1 -12.431  -1.358   1.268
    5    HA   LYS   1           HA       LYS   1 -12.540  -3.095  -0.426
    6   1HB   LYS   1          2HB       LYS   1 -11.729  -0.837  -2.283
    7   2HB   LYS   1          1HB       LYS   1 -11.925  -2.525  -2.728
    8   1HG   LYS   1          2HG       LYS   1 -14.334  -2.344  -2.180
    9   2HG   LYS   1          1HG       LYS   1 -14.096  -0.621  -1.871
   10   1HD   LYS   1          2HD       LYS   1 -13.286  -0.345  -4.185
   11   2HD   LYS   1          1HD       LYS   1 -13.598  -2.056  -4.482
   12   1HE   LYS   1          2HE       LYS   1 -15.442  -0.838  -5.363
   13   2HE   LYS   1          1HE       LYS   1 -15.995  -1.627  -3.886
   14   1HZ   LYS   1          1HZ       LYS   1 -16.553   0.335  -3.057
   15   2HZ   LYS   1          2HZ       LYS   1 -16.125   1.072  -4.517
   16   3HZ   LYS   1          3HZ       LYS   1 -14.985   0.937  -3.274
   17    H    CYS   2           H        CYS   2 -10.594  -4.274  -0.326
   18    HA   CYS   2           HA       CYS   2  -8.411  -2.797   0.781
   19   1HB   CYS   2          2HB       CYS   2  -7.229  -4.896   0.988
   20   2HB   CYS   2          1HB       CYS   2  -8.869  -5.053   1.580
   21    H    LEU   3           H        LEU   3  -6.471  -2.448   0.039
   22    HA   LEU   3           HA       LEU   3  -6.260  -1.952  -2.776
   23   1HB   LEU   3          2HB       LEU   3  -4.329  -1.526  -0.501
   24   2HB   LEU   3          1HB       LEU   3  -4.120  -0.913  -2.123
   25    HG   LEU   3           HG       LEU   3  -6.380  -0.155  -0.279
   26   1HD1  LEU   3          1HD1      LEU   3  -3.709   0.690  -0.259
   27   2HD1  LEU   3          2HD1      LEU   3  -5.077   1.407   0.592
   28   3HD1  LEU   3          3HD1      LEU   3  -4.632   1.990  -1.012
   29   1HD2  LEU   3          1HD2      LEU   3  -5.981   1.703  -2.371
   30   2HD2  LEU   3          2HD2      LEU   3  -7.379   0.669  -2.079
   31   3HD2  LEU   3          3HD2      LEU   3  -6.057   0.098  -3.099
   32    H    ALA   4           H        ALA   4  -5.222  -3.130  -4.260
   33    HA   ALA   4           HA       ALA   4  -4.143  -5.688  -3.531
   34   1HB   ALA   4          1HB       ALA   4  -3.990  -6.102  -5.893
   35   2HB   ALA   4          2HB       ALA   4  -4.221  -4.390  -6.248
   36   3HB   ALA   4          3HB       ALA   4  -5.537  -5.331  -5.543
   37    H    GLU   5           H        GLU   5  -2.186  -6.068  -5.441
   38    HA   GLU   5           HA       GLU   5   0.094  -5.177  -4.062
   39   1HB   GLU   5          2HB       GLU   5   1.360  -6.225  -5.955
   40   2HB   GLU   5          1HB       GLU   5   0.212  -7.284  -5.154
   41   1HG   GLU   5          2HG       GLU   5  -0.527  -5.822  -7.661
   42   2HG   GLU   5          1HG       GLU   5   0.377  -7.332  -7.717
   43    H    ALA   6           H        ALA   6   1.299  -3.511  -4.239
   44    HA   ALA   6           HA       ALA   6   2.244  -1.565  -4.884
   45   1HB   ALA   6          1HB       ALA   6   1.848  -2.978  -7.413
   46   2HB   ALA   6          2HB       ALA   6   3.256  -2.109  -6.801
   47   3HB   ALA   6          3HB       ALA   6   1.942  -1.224  -7.575
   48    H    ALA   7           H        ALA   7  -0.435  -1.561  -3.986
   49    HA   ALA   7           HA       ALA   7  -1.721   0.482  -5.663
   50   1HB   ALA   7          1HB       ALA   7  -3.520   0.078  -3.713
   51   2HB   ALA   7          2HB       ALA   7  -2.691  -1.478  -3.683
   52   3HB   ALA   7          3HB       ALA   7  -3.435  -0.902  -5.175
   53    H    ASP   8           H        ASP   8  -1.717   2.579  -5.114
   54    HA   ASP   8           HA       ASP   8  -0.184   3.483  -2.914
   55   1HB   ASP   8          2HB       ASP   8  -0.816   5.730  -3.612
   56   2HB   ASP   8          1HB       ASP   8  -0.367   4.755  -5.005
   57    H    CYS   9           H        CYS   9  -0.829   4.779  -1.145
   58    HA   CYS   9           HA       CYS   9  -3.621   4.810  -0.367
   59   1HB   CYS   9          2HB       CYS   9  -3.463   3.521   1.577
   60   2HB   CYS   9          1HB       CYS   9  -2.521   2.591   0.430
   61    H    SER  10           H        SER  10  -3.371   5.546   2.230
   62    HA   SER  10           HA       SER  10  -1.315   7.507   2.591
   63   1HB   SER  10          2HB       SER  10  -2.833   8.735   1.072
   64   2HB   SER  10          1HB       SER  10  -4.162   8.473   2.201
   65    HG   SER  10           HG       SER  10  -2.613  10.508   2.203
   66    HA   PRO  11           HA       PRO  11  -2.280   6.226   6.729
   67   1HB   PRO  11          2HB       PRO  11  -0.708   8.628   7.466
   68   2HB   PRO  11          1HB       PRO  11  -0.444   6.933   7.897
   69   1HG   PRO  11          2HG       PRO  11   1.146   8.098   6.127
   70   2HG   PRO  11          1HG       PRO  11   0.565   6.444   5.861
   71   1HD   PRO  11          2HD       PRO  11  -0.462   8.997   4.671
   72   2HD   PRO  11          1HD       PRO  11  -0.071   7.461   3.864
   73    H    TRP  12           H        TRP  12  -2.747   9.491   5.574
   74    HA   TRP  12           HA       TRP  12  -4.304  10.313   7.846
   75   1HB   TRP  12          2HB       TRP  12  -3.885  11.604   5.142
   76   2HB   TRP  12          1HB       TRP  12  -4.789  12.337   6.461
   77    HD1  TRP  12           HD       TRP  12  -3.413  13.382   8.464
   78    HE1  TRP  12           1HE      TRP  12  -0.926  13.970   8.756
   79    HE3  TRP  12           3HE      TRP  12  -1.492  10.805   4.487
   80    HZ2  TRP  12           2HZ      TRP  12   1.525  13.422   7.471
   81    HZ3  TRP  12           3HZ      TRP  12   0.933  10.895   4.085
   82    HH2  TRP  12           HH       TRP  12   2.409  12.177   5.547
   83    H    SER  13           H        SER  13  -4.874   8.729   4.838
   84    HA   SER  13           HA       SER  13  -7.506   8.002   5.497
   85   1HB   SER  13          2HB       SER  13  -7.878  10.458   4.969
   86   2HB   SER  13          1HB       SER  13  -7.425  10.089   3.306
   87    HG   SER  13           HG       SER  13  -9.749   9.532   4.674
   88    H    GLY  14           H        GLY  14  -7.832   6.143   4.454
   89   1HA   GLY  14          2HA       GLY  14  -7.653   5.654   1.755
   90   2HA   GLY  14          1HA       GLY  14  -6.053   5.298   2.389
   91    H    ASP  15           H        ASP  15  -8.033   3.495   1.199
   92    HA   ASP  15           HA       ASP  15  -9.234   1.913   3.226
   93   1HB   ASP  15          2HB       ASP  15  -9.088   1.862   0.367
   94   2HB   ASP  15          1HB       ASP  15  -8.651   0.281   0.977
   95    H    SER  16           H        SER  16  -8.634  -0.341   3.678
   96    HA   SER  16           HA       SER  16  -5.840  -0.492   4.371
   97   1HB   SER  16          2HB       SER  16  -7.906  -2.660   4.720
   98   2HB   SER  16          1HB       SER  16  -6.417  -2.430   5.632
   99    HG   SER  16           HG       SER  16  -7.914  -0.211   5.781
  100    H    CYS  17           H        CYS  17  -4.358  -1.991   3.619
  101    HA   CYS  17           HA       CYS  17  -4.640  -2.783   0.884
  102   1HB   CYS  17          2HB       CYS  17  -2.496  -3.739   2.784
  103   2HB   CYS  17          1HB       CYS  17  -2.390  -3.528   1.041
  104    H    CYS  18           H        CYS  18  -4.771  -4.913   0.049
  105    HA   CYS  18           HA       CYS  18  -6.285  -6.786   1.553
  106   1HB   CYS  18          2HB       CYS  18  -4.628  -7.298  -0.938
  107   2HB   CYS  18          1HB       CYS  18  -5.904  -8.332  -0.314
  108    H    LYS  19           H        LYS  19  -5.633  -8.585   2.667
  109    HA   LYS  19           HA       LYS  19  -2.947  -8.490   3.646
  110   1HB   LYS  19          2HB       LYS  19  -3.672 -10.408   5.045
  111   2HB   LYS  19          1HB       LYS  19  -4.705  -9.003   5.197
  112   1HG   LYS  19          2HG       LYS  19  -6.340 -10.042   3.710
  113   2HG   LYS  19          1HG       LYS  19  -5.297 -11.455   3.551
  114   1HD   LYS  19          2HD       LYS  19  -7.039 -11.900   5.175
  115   2HD   LYS  19          1HD       LYS  19  -5.472 -11.828   5.984
  116   1HE   LYS  19          2HE       LYS  19  -5.942  -9.529   6.682
  117   2HE   LYS  19          1HE       LYS  19  -7.506  -9.601   5.869
  118   1HZ   LYS  19          1HZ       LYS  19  -8.035 -10.080   8.047
  119   2HZ   LYS  19          2HZ       LYS  19  -6.628 -10.980   8.319
  120   3HZ   LYS  19          3HZ       LYS  19  -7.881 -11.632   7.389
  121    HA   PRO  20           HA       PRO  20  -1.524  -9.415   4.440
  122   1HB   PRO  20          2HB       PRO  20   0.904 -10.564   4.427
  123   2HB   PRO  20          1HB       PRO  20  -0.539 -11.436   4.953
  124   1HG   PRO  20          2HG       PRO  20   1.070 -11.802   2.527
  125   2HG   PRO  20          1HG       PRO  20  -0.107 -12.899   3.266
  126   1HD   PRO  20          2HD       PRO  20  -0.471 -11.026   1.053
  127   2HD   PRO  20          1HD       PRO  20  -1.555 -12.316   1.617
  128    H    TYR  21           H        TYR  21  -1.575  -7.940   1.960
  129    HA   TYR  21           HA       TYR  21   1.128  -7.078   1.379
  130   1HB   TYR  21          2HB       TYR  21  -1.466  -5.738   0.540
  131   2HB   TYR  21          1HB       TYR  21   0.132  -5.455  -0.122
  132    HD1  TYR  21           1HD      TYR  21  -1.807  -5.899  -2.040
  133    HD2  TYR  21           2HD      TYR  21   0.212  -8.847   0.262
  134    HE1  TYR  21           1HE      TYR  21  -2.215  -7.548  -3.808
  135    HE2  TYR  21           2HE      TYR  21  -0.194 -10.511  -1.505
  136    HH   TYR  21           HH       TYR  21  -1.739  -9.581  -4.565
  137    H    LEU  22           H        LEU  22   2.008  -5.047   1.863
  138    HA   LEU  22           HA       LEU  22   0.604  -3.577   3.997
  139   1HB   LEU  22          2HB       LEU  22   2.329  -4.957   4.994
  140   2HB   LEU  22          1HB       LEU  22   3.522  -4.326   3.877
  141    HG   LEU  22           HG       LEU  22   3.234  -2.076   4.909
  142   1HD1  LEU  22          1HD1      LEU  22   2.123  -2.004   7.141
  143   2HD1  LEU  22          2HD1      LEU  22   1.457  -3.601   6.803
  144   3HD1  LEU  22          3HD1      LEU  22   1.018  -2.229   5.785
  145   1HD2  LEU  22          1HD2      LEU  22   4.778  -4.126   5.721
  146   2HD2  LEU  22          2HD2      LEU  22   3.891  -3.795   7.209
  147   3HD2  LEU  22          3HD2      LEU  22   4.829  -2.515   6.439
  148    H    CYS  23           H        CYS  23   0.585  -1.394   3.814
  149    HA   CYS  23           HA       CYS  23   1.546  -0.235   1.378
  150   1HB   CYS  23          2HB       CYS  23  -0.571   0.389   2.792
  151   2HB   CYS  23          1HB       CYS  23   0.553   1.452   3.633
  152    H    SER  24           H        SER  24   3.498   0.363   1.038
  153    HA   SER  24           HA       SER  24   5.334   0.774   3.223
  154   1HB   SER  24          2HB       SER  24   7.018   1.035   1.348
  155   2HB   SER  24          1HB       SER  24   6.188  -0.518   1.412
  156    HG   SER  24           HG       SER  24   4.709   0.430  -0.193
  157    H    CYS  25           H        CYS  25   5.821   2.634   4.083
  158    HA   CYS  25           HA       CYS  25   5.250   5.114   2.606
  159   1HB   CYS  25          2HB       CYS  25   5.266   4.579   5.588
  160   2HB   CYS  25          1HB       CYS  25   5.140   6.185   4.880
  161    H    ILE  26           H        ILE  26   7.438   4.374   1.722
  162    HA   ILE  26           HA       ILE  26   9.761   4.601   3.334
  163    HB   ILE  26           HB       ILE  26  10.965   4.724   1.113
  164   1HG1  ILE  26          2HG1      ILE  26   8.173   4.229   0.044
  165   2HG1  ILE  26          1HG1      ILE  26   9.084   5.721  -0.165
  166   1HG2  ILE  26          1HG2      ILE  26  11.080   2.573   1.650
  167   2HG2  ILE  26          2HG2      ILE  26   9.697   2.319   0.585
  168   3HG2  ILE  26          3HG2      ILE  26   9.446   2.576   2.312
  169   1HD1  ILE  26          1HD1      ILE  26   9.038   3.548  -1.871
  170   2HD1  ILE  26          2HD1      ILE  26  10.593   3.423  -1.048
  171   3HD1  ILE  26          3HD1      ILE  26  10.169   4.901  -1.913
  172    H    PHE  27           H        PHE  27   8.399   6.863   3.920
  173    HA   PHE  27           HA       PHE  27   8.625   9.089   4.215
  174   1HB   PHE  27          2HB       PHE  27  11.367   8.409   3.192
  175   2HB   PHE  27          1HB       PHE  27  10.932  10.059   3.606
  176    HD1  PHE  27           1HD      PHE  27  10.323   6.733   5.208
  177    HD2  PHE  27           2HD      PHE  27  11.844  10.688   5.602
  178    HE1  PHE  27           1HE      PHE  27  10.859   6.287   7.566
  179    HE2  PHE  27           2HE      PHE  27  12.384  10.248   7.962
  180    HZ   PHE  27           HZ       PHE  27  11.892   8.046   8.946
  181    H    PHE  28           H        PHE  28   7.709   7.992   1.554
  182    HA   PHE  28           HA       PHE  28   7.842  10.557   0.144
  183   1HB   PHE  28          2HB       PHE  28   8.299   7.838  -1.045
  184   2HB   PHE  28          1HB       PHE  28   7.692   9.158  -2.023
  185    HD1  PHE  28           1HD      PHE  28  10.507   8.399   0.318
  186    HD2  PHE  28           2HD      PHE  28   9.185  10.462  -3.159
  187    HE1  PHE  28           1HE      PHE  28  12.803   9.177  -0.088
  188    HE2  PHE  28           2HE      PHE  28  11.480  11.245  -3.571
  189    HZ   PHE  28           HZ       PHE  28  13.293  10.602  -2.035
  190    H    TYR  29           H        TYR  29   5.961  11.274  -0.516
  191    HA   TYR  29           HA       TYR  29   3.588   9.686   0.051
  192   1HB   TYR  29          2HB       TYR  29   3.926  12.128   0.802
  193   2HB   TYR  29          1HB       TYR  29   3.620  12.556  -0.877
  194    HD1  TYR  29           1HD      TYR  29   1.478  13.320  -1.254
  195    HD2  TYR  29           2HD      TYR  29   2.071  10.251   1.633
  196    HE1  TYR  29           1HE      TYR  29  -0.943  13.271  -0.815
  197    HE2  TYR  29           2HE      TYR  29  -0.345  10.192   2.077
  198    HH   TYR  29           HH       TYR  29  -2.614  12.121   0.183
  199    HA   PRO  30           HA       PRO  30   1.870   9.152  -0.362
  200   1HB   PRO  30          2HB       PRO  30   0.114   7.540  -1.565
  201   2HB   PRO  30          1HB       PRO  30  -0.017   9.298  -1.701
  202   1HG   PRO  30          2HG       PRO  30   0.868   7.312  -3.711
  203   2HG   PRO  30          1HG       PRO  30   0.121   8.900  -3.948
  204   1HD   PRO  30          2HD       PRO  30   2.902   8.225  -4.084
  205   2HD   PRO  30          1HD       PRO  30   2.160   9.826  -4.272
  206    H    CYS  31           H        CYS  31   1.276   6.938   0.504
  207    HA   CYS  31           HA       CYS  31   3.566   5.197   0.300
  208   1HB   CYS  31          2HB       CYS  31   0.991   4.803   1.846
  209   2HB   CYS  31          1HB       CYS  31   2.497   3.925   2.082
  210    H    SER  32           H        SER  32   3.186   2.772  -0.072
  211    HA   SER  32           HA       SER  32   0.853   2.236  -1.738
  212   1HB   SER  32          2HB       SER  32   2.471   1.221  -3.493
  213   2HB   SER  32          1HB       SER  32   2.235   2.969  -3.467
  214    HG   SER  32           HG       SER  32   4.161   3.090  -2.175
  215    H    CYS  33           H        CYS  33   0.035   0.327  -1.294
  216    HA   CYS  33           HA       CYS  33   1.244  -1.541   0.449
  217   1HB   CYS  33          2HB       CYS  33  -1.021  -2.202  -1.424
  218   2HB   CYS  33          1HB       CYS  33  -0.684  -2.866   0.160
  219    H    ARG  34           H        ARG  34   2.642  -3.039   0.061
  220    HA   ARG  34           HA       ARG  34   3.080  -3.904  -2.719
  221   1HB   ARG  34          2HB       ARG  34   4.999  -4.011  -0.387
  222   2HB   ARG  34          1HB       ARG  34   5.357  -4.479  -2.038
  223   1HG   ARG  34          2HG       ARG  34   4.593  -1.691  -1.209
  224   2HG   ARG  34          1HG       ARG  34   6.255  -2.259  -1.391
  225   1HD   ARG  34          2HD       ARG  34   6.001  -2.590  -3.702
  226   2HD   ARG  34          1HD       ARG  34   4.243  -2.494  -3.607
  227    HE   ARG  34           HE       ARG  34   5.205  -0.051  -2.733
  228   1HH1  ARG  34          1HH1      ARG  34   5.376  -1.943  -5.672
  229   2HH1  ARG  34          2HH1      ARG  34   5.410  -0.563  -6.715
  230   1HH2  ARG  34          1HH2      ARG  34   5.223   1.775  -4.094
  231   2HH2  ARG  34          2HH2      ARG  34   5.331   1.563  -5.814
  232    HA   PRO  35           HA       PRO  35   1.724  -7.933  -1.584
  233   1HB   PRO  35          2HB       PRO  35   3.388  -9.454  -3.153
  234   2HB   PRO  35          1HB       PRO  35   1.948  -8.628  -3.755
  235   1HG   PRO  35          2HG       PRO  35   4.816  -7.832  -3.947
  236   2HG   PRO  35          1HG       PRO  35   3.513  -7.642  -5.134
  237   1HD   PRO  35          2HD       PRO  35   4.421  -5.604  -3.581
  238   2HD   PRO  35          1HD       PRO  35   2.752  -5.699  -4.160
  239    H    LYS  36           H        LYS  36   2.345  -9.675  -0.227
  240    HA   LYS  36           HA       LYS  36   4.693  -9.097   1.293
  241   1HB   LYS  36          2HB       LYS  36   2.542  -9.903   2.323
  242   2HB   LYS  36          1HB       LYS  36   2.898 -11.492   1.651
  243   1HG   LYS  36          2HG       LYS  36   3.569 -11.170   4.050
  244   2HG   LYS  36          1HG       LYS  36   4.860 -11.713   2.975
  245   1HD   LYS  36          2HD       LYS  36   5.448  -9.226   2.734
  246   2HD   LYS  36          1HD       LYS  36   4.417  -8.976   4.143
  247   1HE   LYS  36          2HE       LYS  36   5.807 -10.339   5.505
  248   2HE   LYS  36          1HE       LYS  36   6.708 -10.928   4.109
  249   1HZ   LYS  36          1HZ       LYS  36   6.685  -8.060   4.826
  250   2HZ   LYS  36          2HZ       LYS  36   7.794  -8.889   3.848
  251   3HZ   LYS  36          3HZ       LYS  36   7.789  -9.134   5.524
  252    H    GLY  37           H        GLY  37   6.444 -10.310   1.557
  253   1HA   GLY  37          2HA       GLY  37   7.423 -12.638   0.905
  254   2HA   GLY  37          1HA       GLY  37   7.206 -11.970  -0.718
  255    H    TRP  38           H        TRP  38   7.602  -9.291   0.082
  256    HA   TRP  38           HA       TRP  38  10.496  -9.183   0.127
  257   1HB   TRP  38          2HB       TRP  38   8.361  -7.047  -0.168
  258   2HB   TRP  38          1HB       TRP  38  10.083  -6.699  -0.141
  259    HD1  TRP  38           HD       TRP  38  11.203  -6.583  -2.419
  260    HE1  TRP  38           1HE      TRP  38  10.646  -7.358  -4.805
  261    HE3  TRP  38           3HE      TRP  38   6.887  -9.158  -1.461
  262    HZ2  TRP  38           2HZ      TRP  38   8.647  -8.851  -6.113
  263    HZ3  TRP  38           3HZ      TRP  38   5.713 -10.225  -3.339
  264    HH2  TRP  38           HH       TRP  38   6.574 -10.072  -5.618
  Start of MODEL   19
    1   1H    LYS   1          1HT       LYS   1 -14.500  -3.899   0.794
    2   2H    LYS   1          2HT       LYS   1 -13.129  -4.294   1.702
    3    H    LYS   1           H        LYS   1 -13.638  -3.942   1.675
    4   3H    LYS   1          3HT       LYS   1 -13.727  -5.385   0.553
    5    HA   LYS   1           HA       LYS   1 -12.648  -4.422  -1.109
    6   1HB   LYS   1          2HB       LYS   1 -14.336  -2.599  -1.031
    7   2HB   LYS   1          1HB       LYS   1 -13.361  -1.765   0.170
    8   1HG   LYS   1          2HG       LYS   1 -11.521  -1.651  -1.513
    9   2HG   LYS   1          1HG       LYS   1 -12.647  -2.304  -2.704
   10   1HD   LYS   1          2HD       LYS   1 -14.098  -0.398  -2.449
   11   2HD   LYS   1          1HD       LYS   1 -13.115   0.221  -1.121
   12   1HE   LYS   1          2HE       LYS   1 -12.205  -0.116  -3.978
   13   2HE   LYS   1          1HE       LYS   1 -12.665   1.408  -3.221
   14   1HZ   LYS   1          1HZ       LYS   1 -10.158   0.190  -3.227
   15   2HZ   LYS   1          2HZ       LYS   1 -10.715   0.138  -1.626
   16   3HZ   LYS   1          3HZ       LYS   1 -10.615   1.619  -2.445
   17    H    CYS   2           H        CYS   2 -10.475  -3.806  -1.469
   18    HA   CYS   2           HA       CYS   2  -8.919  -2.602   0.608
   19   1HB   CYS   2          2HB       CYS   2  -7.396  -4.568   0.901
   20   2HB   CYS   2          1HB       CYS   2  -9.001  -4.804   1.582
   21    H    LEU   3           H        LEU   3  -6.613  -2.545   0.012
   22    HA   LEU   3           HA       LEU   3  -6.383  -1.829  -2.774
   23   1HB   LEU   3          2HB       LEU   3  -4.449  -1.607  -0.473
   24   2HB   LEU   3          1HB       LEU   3  -4.225  -0.899  -2.056
   25    HG   LEU   3           HG       LEU   3  -6.481  -0.206  -0.189
   26   1HD1  LEU   3          1HD1      LEU   3  -4.171   1.571  -0.847
   27   2HD1  LEU   3          2HD1      LEU   3  -4.080   0.417   0.483
   28   3HD1  LEU   3          3HD1      LEU   3  -5.316   1.674   0.491
   29   1HD2  LEU   3          1HD2      LEU   3  -5.803   0.509  -2.963
   30   2HD2  LEU   3          2HD2      LEU   3  -6.243   1.858  -1.916
   31   3HD2  LEU   3          3HD2      LEU   3  -7.361   0.512  -2.136
   32    H    ALA   4           H        ALA   4  -5.265  -2.880  -4.303
   33    HA   ALA   4           HA       ALA   4  -4.310  -5.539  -3.772
   34   1HB   ALA   4          1HB       ALA   4  -4.105  -5.752  -6.135
   35   2HB   ALA   4          2HB       ALA   4  -4.151  -4.003  -6.354
   36   3HB   ALA   4          3HB       ALA   4  -5.592  -4.862  -5.811
   37    H    GLU   5           H        GLU   5  -2.250  -5.719  -5.669
   38    HA   GLU   5           HA       GLU   5  -0.033  -4.911  -4.061
   39   1HB   GLU   5          2HB       GLU   5   1.308  -5.840  -6.060
   40   2HB   GLU   5          1HB       GLU   5   0.353  -6.953  -5.097
   41   1HG   GLU   5          2HG       GLU   5  -0.759  -5.742  -7.596
   42   2HG   GLU   5          1HG       GLU   5   0.300  -7.151  -7.658
   43    H    ALA   6           H        ALA   6   1.211  -3.249  -4.190
   44    HA   ALA   6           HA       ALA   6   2.158  -1.284  -4.788
   45   1HB   ALA   6          1HB       ALA   6   1.611  -1.209  -7.614
   46   2HB   ALA   6          2HB       ALA   6   2.197  -2.802  -7.137
   47   3HB   ALA   6          3HB       ALA   6   3.153  -1.366  -6.772
   48    H    ALA   7           H        ALA   7  -0.498  -1.317  -3.926
   49    HA   ALA   7           HA       ALA   7  -1.814   0.715  -5.594
   50   1HB   ALA   7          1HB       ALA   7  -2.769  -1.453  -3.959
   51   2HB   ALA   7          2HB       ALA   7  -3.637  -0.470  -5.140
   52   3HB   ALA   7          3HB       ALA   7  -3.507   0.071  -3.466
   53    H    ASP   8           H        ASP   8  -2.178   2.779  -4.884
   54    HA   ASP   8           HA       ASP   8  -0.549   3.825  -2.847
   55   1HB   ASP   8          2HB       ASP   8  -1.743   5.933  -3.198
   56   2HB   ASP   8          1HB       ASP   8  -1.335   5.181  -4.734
   57    H    CYS   9           H        CYS   9  -0.954   4.497  -0.772
   58    HA   CYS   9           HA       CYS   9  -3.585   3.985   0.377
   59   1HB   CYS   9          2HB       CYS   9  -2.341   2.840   2.346
   60   2HB   CYS   9          1HB       CYS   9  -2.694   1.906   0.900
   61    H    SER  10           H        SER  10  -3.765   4.747   2.595
   62    HA   SER  10           HA       SER  10  -1.841   6.700   3.522
   63   1HB   SER  10          2HB       SER  10  -3.212   7.990   1.901
   64   2HB   SER  10          1HB       SER  10  -4.667   7.525   2.779
   65    HG   SER  10           HG       SER  10  -3.284   9.641   3.209
   66    HA   PRO  11           HA       PRO  11  -3.020   5.109   7.438
   67   1HB   PRO  11          2HB       PRO  11  -2.959   7.545   8.828
   68   2HB   PRO  11          1HB       PRO  11  -1.606   6.435   8.595
   69   1HG   PRO  11          2HG       PRO  11  -2.320   8.900   7.073
   70   2HG   PRO  11          1HG       PRO  11  -0.723   8.271   7.506
   71   1HD   PRO  11          2HD       PRO  11  -1.645   8.028   5.028
   72   2HD   PRO  11          1HD       PRO  11  -0.731   6.708   5.789
   73    H    TRP  12           H        TRP  12  -4.688   8.051   6.355
   74    HA   TRP  12           HA       TRP  12  -7.094   7.036   7.714
   75   1HB   TRP  12          2HB       TRP  12  -6.307   9.935   7.343
   76   2HB   TRP  12          1HB       TRP  12  -7.832   9.378   8.021
   77    HD1  TRP  12           HD       TRP  12  -7.671   8.102  10.446
   78    HE1  TRP  12           1HE      TRP  12  -6.007   8.447  12.378
   79    HE3  TRP  12           3HE      TRP  12  -3.962  10.538   7.904
   80    HZ2  TRP  12           2HZ      TRP  12  -3.464   9.604  12.776
   81    HZ3  TRP  12           3HZ      TRP  12  -1.950  11.234   9.135
   82    HH2  TRP  12           HH       TRP  12  -1.707  10.777  11.522
   83    H    SER  13           H        SER  13  -5.950   9.124   5.080
   84    HA   SER  13           HA       SER  13  -8.475   8.852   3.686
   85   1HB   SER  13          2HB       SER  13  -5.944  10.221   2.753
   86   2HB   SER  13          1HB       SER  13  -7.580  10.463   2.136
   87    HG   SER  13           HG       SER  13  -7.977  11.032   4.510
   88    H    GLY  14           H        GLY  14  -7.578   6.352   3.903
   89   1HA   GLY  14          2HA       GLY  14  -7.096   5.616   1.160
   90   2HA   GLY  14          1HA       GLY  14  -5.736   5.276   2.220
   91    H    ASP  15           H        ASP  15  -7.445   3.459   0.724
   92    HA   ASP  15           HA       ASP  15  -9.176   2.087   2.544
   93   1HB   ASP  15          2HB       ASP  15  -9.247   2.066  -0.036
   94   2HB   ASP  15          1HB       ASP  15  -7.932   0.910   0.057
   95    H    SER  16           H        SER  16  -8.785  -0.259   3.084
   96    HA   SER  16           HA       SER  16  -6.170  -0.502   4.295
   97   1HB   SER  16          2HB       SER  16  -8.332  -2.595   4.256
   98   2HB   SER  16          1HB       SER  16  -7.033  -2.409   5.428
   99    HG   SER  16           HG       SER  16  -8.699  -0.223   5.151
  100    H    CYS  17           H        CYS  17  -4.600  -1.986   3.723
  101    HA   CYS  17           HA       CYS  17  -4.544  -2.757   0.972
  102   1HB   CYS  17          2HB       CYS  17  -2.679  -3.694   3.167
  103   2HB   CYS  17          1HB       CYS  17  -2.358  -3.667   1.438
  104    H    CYS  18           H        CYS  18  -4.819  -4.781   0.065
  105    HA   CYS  18           HA       CYS  18  -6.430  -6.685   1.412
  106   1HB   CYS  18          2HB       CYS  18  -4.761  -6.973  -1.104
  107   2HB   CYS  18          1HB       CYS  18  -5.936  -8.154  -0.546
  108    H    LYS  19           H        LYS  19  -5.887  -8.683   2.267
  109    HA   LYS  19           HA       LYS  19  -3.272  -8.764   3.427
  110   1HB   LYS  19          2HB       LYS  19  -4.090 -10.774   4.567
  111   2HB   LYS  19          1HB       LYS  19  -5.198  -9.433   4.739
  112   1HG   LYS  19          2HG       LYS  19  -6.717 -11.030   4.243
  113   2HG   LYS  19          1HG       LYS  19  -6.275 -10.605   2.588
  114   1HD   LYS  19          2HD       LYS  19  -4.433 -12.434   2.924
  115   2HD   LYS  19          1HD       LYS  19  -5.506 -12.999   4.206
  116   1HE   LYS  19          2HE       LYS  19  -6.050 -14.199   2.214
  117   2HE   LYS  19          1HE       LYS  19  -7.355 -13.054   2.528
  118   1HZ   LYS  19          1HZ       LYS  19  -5.927 -13.322   0.194
  119   2HZ   LYS  19          2HZ       LYS  19  -5.339 -11.893   0.886
  120   3HZ   LYS  19          3HZ       LYS  19  -6.996 -12.070   0.584
  121    HA   PRO  20           HA       PRO  20  -1.899  -9.696   4.120
  122   1HB   PRO  20          2HB       PRO  20   0.485 -10.897   4.182
  123   2HB   PRO  20          1HB       PRO  20  -1.001 -11.816   4.444
  124   1HG   PRO  20          2HG       PRO  20   0.819 -11.829   2.124
  125   2HG   PRO  20          1HG       PRO  20  -0.354 -13.052   2.638
  126   1HD   PRO  20          2HD       PRO  20  -0.664 -10.947   0.646
  127   2HD   PRO  20          1HD       PRO  20  -1.752 -12.303   1.011
  128    H    TYR  21           H        TYR  21  -1.672  -8.195   1.548
  129    HA   TYR  21           HA       TYR  21   0.996  -7.309   1.167
  130   1HB   TYR  21          2HB       TYR  21  -1.549  -5.815   0.453
  131   2HB   TYR  21          1HB       TYR  21   0.057  -5.528  -0.198
  132    HD1  TYR  21           1HD      TYR  21  -2.418  -8.327   0.101
  133    HD2  TYR  21           2HD      TYR  21   0.578  -6.437  -2.250
  134    HE1  TYR  21           1HE      TYR  21  -2.845  -9.925  -1.712
  135    HE2  TYR  21           2HE      TYR  21   0.156  -8.031  -4.072
  136    HH   TYR  21           HH       TYR  21  -1.585  -9.506  -4.875
  137    H    LEU  22           H        LEU  22   1.857  -5.185   1.644
  138    HA   LEU  22           HA       LEU  22   0.695  -3.995   4.075
  139   1HB   LEU  22          2HB       LEU  22   2.523  -5.443   4.724
  140   2HB   LEU  22          1HB       LEU  22   3.586  -4.681   3.558
  141    HG   LEU  22           HG       LEU  22   3.389  -2.554   4.855
  142   1HD1  LEU  22          1HD1      LEU  22   2.329  -2.434   6.918
  143   2HD1  LEU  22          2HD1      LEU  22   2.236  -4.186   7.086
  144   3HD1  LEU  22          3HD1      LEU  22   1.190  -3.353   5.935
  145   1HD2  LEU  22          1HD2      LEU  22   4.798  -3.344   6.757
  146   2HD2  LEU  22          2HD2      LEU  22   5.327  -3.916   5.175
  147   3HD2  LEU  22          3HD2      LEU  22   4.453  -5.000   6.257
  148    H    CYS  23           H        CYS  23   0.646  -1.836   4.162
  149    HA   CYS  23           HA       CYS  23   1.206  -0.285   1.841
  150   1HB   CYS  23          2HB       CYS  23  -0.650   0.221   3.392
  151   2HB   CYS  23          1HB       CYS  23   0.512   0.591   4.658
  152    H    SER  24           H        SER  24   3.134   0.511   1.261
  153    HA   SER  24           HA       SER  24   5.213   0.677   3.315
  154   1HB   SER  24          2HB       SER  24   6.821   0.688   1.447
  155   2HB   SER  24          1HB       SER  24   5.756  -0.714   1.379
  156    HG   SER  24           HG       SER  24   4.469   0.589  -0.144
  157    H    CYS  25           H        CYS  25   5.768   2.543   4.118
  158    HA   CYS  25           HA       CYS  25   5.255   5.003   2.582
  159   1HB   CYS  25          2HB       CYS  25   5.367   4.560   5.577
  160   2HB   CYS  25          1HB       CYS  25   5.289   6.148   4.825
  161    H    ILE  26           H        ILE  26   7.390   4.072   1.663
  162    HA   ILE  26           HA       ILE  26   9.745   4.370   3.238
  163    HB   ILE  26           HB       ILE  26   9.604   2.769   1.427
  164   1HG1  ILE  26          2HG1      ILE  26  11.799   3.292   0.344
  165   2HG1  ILE  26          1HG1      ILE  26  11.736   4.877   1.093
  166   1HG2  ILE  26          1HG2      ILE  26   9.872   4.948  -0.599
  167   2HG2  ILE  26          2HG2      ILE  26   8.285   4.389  -0.070
  168   3HG2  ILE  26          3HG2      ILE  26   9.408   3.260  -0.826
  169   1HD1  ILE  26          1HD1      ILE  26  13.075   3.669   2.532
  170   2HD1  ILE  26          2HD1      ILE  26  12.111   2.202   2.363
  171   3HD1  ILE  26          3HD1      ILE  26  11.491   3.564   3.298
  172    H    PHE  27           H        PHE  27   8.671   6.604   3.691
  173    HA   PHE  27           HA       PHE  27   8.874   8.861   3.768
  174   1HB   PHE  27          2HB       PHE  27  11.566   8.122   2.632
  175   2HB   PHE  27          1HB       PHE  27  11.149   9.767   3.091
  176    HD1  PHE  27           1HD      PHE  27  11.984  10.426   5.104
  177    HD2  PHE  27           2HD      PHE  27  10.827   6.360   4.619
  178    HE1  PHE  27           1HE      PHE  27  12.670   9.959   7.419
  179    HE2  PHE  27           2HE      PHE  27  11.507   5.887   6.935
  180    HZ   PHE  27           HZ       PHE  27  12.430   7.687   8.338
  181    H    PHE  28           H        PHE  28   7.779   7.655   1.235
  182    HA   PHE  28           HA       PHE  28   8.073  10.078  -0.399
  183   1HB   PHE  28          2HB       PHE  28   8.142   7.228  -1.302
  184   2HB   PHE  28          1HB       PHE  28   7.518   8.462  -2.375
  185    HD1  PHE  28           1HD      PHE  28   8.988   9.147  -3.964
  186    HD2  PHE  28           2HD      PHE  28  10.494   8.110  -0.123
  187    HE1  PHE  28           1HE      PHE  28  11.270   9.664  -4.723
  188    HE2  PHE  28           2HE      PHE  28  12.778   8.629  -0.874
  189    HZ   PHE  28           HZ       PHE  28  13.168   9.408  -3.177
  190    H    TYR  29           H        TYR  29   6.260  10.975  -1.025
  191    HA   TYR  29           HA       TYR  29   3.746   9.808  -0.129
  192   1HB   TYR  29          2HB       TYR  29   4.318  12.178   0.429
  193   2HB   TYR  29          1HB       TYR  29   4.272  12.556  -1.289
  194    HD1  TYR  29           1HD      TYR  29   2.356  13.615  -1.996
  195    HD2  TYR  29           2HD      TYR  29   2.074  10.805   1.185
  196    HE1  TYR  29           1HE      TYR  29  -0.059  14.048  -1.836
  197    HE2  TYR  29           2HE      TYR  29  -0.342  11.227   1.353
  198    HH   TYR  29           HH       TYR  29  -2.072  12.991  -1.020
  199    HA   PRO  30           HA       PRO  30   2.075   9.252  -0.340
  200   1HB   PRO  30          2HB       PRO  30   0.097   7.705  -1.252
  201   2HB   PRO  30          1HB       PRO  30   0.064   9.456  -1.479
  202   1HG   PRO  30          2HG       PRO  30   0.562   7.315  -3.451
  203   2HG   PRO  30          1HG       PRO  30  -0.049   8.956  -3.704
  204   1HD   PRO  30          2HD       PRO  30   2.640   7.983  -4.040
  205   2HD   PRO  30          1HD       PRO  30   2.024   9.622  -4.325
  206    H    CYS  31           H        CYS  31   1.316   7.053   0.607
  207    HA   CYS  31           HA       CYS  31   3.508   5.199   0.366
  208   1HB   CYS  31          2HB       CYS  31   0.961   4.957   1.985
  209   2HB   CYS  31          1HB       CYS  31   2.421   3.999   2.187
  210    H    SER  32           H        SER  32   3.058   2.828  -0.003
  211    HA   SER  32           HA       SER  32   0.644   2.315  -1.551
  212   1HB   SER  32          2HB       SER  32   2.153   1.274  -3.376
  213   2HB   SER  32          1HB       SER  32   1.976   3.029  -3.340
  214    HG   SER  32           HG       SER  32   3.991   3.245  -2.625
  215    H    CYS  33           H        CYS  33  -0.140   0.340  -1.212
  216    HA   CYS  33           HA       CYS  33   1.150  -1.486   0.552
  217   1HB   CYS  33          2HB       CYS  33  -1.148  -2.189  -1.278
  218   2HB   CYS  33          1HB       CYS  33  -0.750  -2.884   0.279
  219    H    ARG  34           H        ARG  34   2.547  -3.042   0.069
  220    HA   ARG  34           HA       ARG  34   2.880  -3.776  -2.766
  221   1HB   ARG  34          2HB       ARG  34   5.008  -3.881  -0.624
  222   2HB   ARG  34          1HB       ARG  34   5.226  -4.111  -2.352
  223   1HG   ARG  34          2HG       ARG  34   4.223  -1.662  -2.419
  224   2HG   ARG  34          1HG       ARG  34   4.899  -1.623  -0.791
  225   1HD   ARG  34          2HD       ARG  34   7.041  -2.489  -1.814
  226   2HD   ARG  34          1HD       ARG  34   6.325  -2.136  -3.383
  227    HE   ARG  34           HE       ARG  34   6.127   0.143  -1.739
  228   1HH1  ARG  34          1HH1      ARG  34   8.528  -1.736  -3.461
  229   2HH1  ARG  34          2HH1      ARG  34   9.591  -0.393  -3.713
  230   1HH2  ARG  34          1HH2      ARG  34   7.517   1.920  -2.067
  231   2HH2  ARG  34          2HH2      ARG  34   9.014   1.701  -2.913
  232    HA   PRO  35           HA       PRO  35   2.092  -7.988  -1.800
  233   1HB   PRO  35          2HB       PRO  35   4.134  -9.300  -3.094
  234   2HB   PRO  35          1HB       PRO  35   2.672  -8.700  -3.881
  235   1HG   PRO  35          2HG       PRO  35   5.405  -7.521  -3.801
  236   2HG   PRO  35          1HG       PRO  35   4.215  -7.517  -5.114
  237   1HD   PRO  35          2HD       PRO  35   4.696  -5.364  -3.525
  238   2HD   PRO  35          1HD       PRO  35   3.125  -5.673  -4.277
  239    H    LYS  36           H        LYS  36   2.690  -9.640  -0.388
  240    HA   LYS  36           HA       LYS  36   4.684  -8.884   1.528
  241   1HB   LYS  36          2HB       LYS  36   2.337 -10.100   1.824
  242   2HB   LYS  36          1HB       LYS  36   3.336 -11.537   1.654
  243   1HG   LYS  36          2HG       LYS  36   2.934 -10.812   4.005
  244   2HG   LYS  36          1HG       LYS  36   4.636 -10.959   3.560
  245   1HD   LYS  36          2HD       LYS  36   4.974  -8.673   3.566
  246   2HD   LYS  36          1HD       LYS  36   3.270  -8.317   3.278
  247   1HE   LYS  36          2HE       LYS  36   4.316  -9.499   5.844
  248   2HE   LYS  36          1HE       LYS  36   4.113  -7.767   5.580
  249   1HZ   LYS  36          1HZ       LYS  36   2.135  -9.777   6.139
  250   2HZ   LYS  36          2HZ       LYS  36   1.716  -8.782   4.832
  251   3HZ   LYS  36          3HZ       LYS  36   2.061  -8.099   6.344
  252    H    GLY  37           H        GLY  37   6.678  -9.556   1.648
  253   1HA   GLY  37          2HA       GLY  37   8.011 -11.782   1.445
  254   2HA   GLY  37          1HA       GLY  37   7.629 -11.563  -0.261
  255    H    TRP  38           H        TRP  38   8.568  -9.330   2.307
  256    HA   TRP  38           HA       TRP  38  10.438  -7.998   0.548
  257   1HB   TRP  38          2HB       TRP  38   9.667  -7.430   3.426
  258   2HB   TRP  38          1HB       TRP  38  10.679  -6.398   2.424
  259    HD1  TRP  38           HD       TRP  38   7.787  -7.740   0.484
  260    HE1  TRP  38           1HE      TRP  38   5.965  -5.951   0.235
  261    HE3  TRP  38           3HE      TRP  38   9.549  -4.322   3.857
  262    HZ2  TRP  38           2HZ      TRP  38   5.351  -3.416   1.322
  263    HZ3  TRP  38           3HZ      TRP  38   8.281  -2.241   4.191
  264    HH2  TRP  38           HH       TRP  38   6.226  -1.798   2.949
  Start of MODEL   20
    1   1H    LYS   1          1HT       LYS   1 -13.448  -1.859   2.360
    2   2H    LYS   1          2HT       LYS   1 -14.178  -1.172   1.002
    3    H    LYS   1           H        LYS   1 -13.272  -1.612   2.411
    4   3H    LYS   1          3HT       LYS   1 -12.642  -0.642   1.497
    5    HA   LYS   1           HA       LYS   1 -13.104  -3.463   0.741
    6   1HB   LYS   1          2HB       LYS   1 -12.421  -2.900  -1.543
    7   2HB   LYS   1          1HB       LYS   1 -13.900  -2.051  -1.119
    8   1HG   LYS   1          2HG       LYS   1 -12.593  -0.018  -0.686
    9   2HG   LYS   1          1HG       LYS   1 -11.126  -0.878  -1.157
   10   1HD   LYS   1          2HD       LYS   1 -12.112  -1.262  -3.391
   11   2HD   LYS   1          1HD       LYS   1 -13.518  -0.312  -2.908
   12   1HE   LYS   1          2HE       LYS   1 -10.673   0.691  -3.017
   13   2HE   LYS   1          1HE       LYS   1 -11.914   1.005  -4.227
   14   1HZ   LYS   1          1HZ       LYS   1 -11.897   2.887  -2.873
   15   2HZ   LYS   1          2HZ       LYS   1 -11.767   1.996  -1.437
   16   3HZ   LYS   1          3HZ       LYS   1 -13.223   2.005  -2.306
   17    H    CYS   2           H        CYS   2 -10.786  -3.592  -0.801
   18    HA   CYS   2           HA       CYS   2  -8.719  -2.625   1.014
   19   1HB   CYS   2          2HB       CYS   2  -7.540  -4.736   1.022
   20   2HB   CYS   2          1HB       CYS   2  -9.157  -4.939   1.661
   21    H    LEU   3           H        LEU   3  -6.658  -2.477   0.158
   22    HA   LEU   3           HA       LEU   3  -6.668  -1.732  -2.643
   23   1HB   LEU   3          2HB       LEU   3  -4.604  -1.422  -0.470
   24   2HB   LEU   3          1HB       LEU   3  -4.468  -0.755  -2.080
   25    HG   LEU   3           HG       LEU   3  -6.647  -0.050  -0.121
   26   1HD1  LEU   3          1HD1      LEU   3  -5.398   2.186  -0.174
   27   2HD1  LEU   3          2HD1      LEU   3  -4.028   1.243  -0.762
   28   3HD1  LEU   3          3HD1      LEU   3  -4.739   0.882   0.811
   29   1HD2  LEU   3          1HD2      LEU   3  -6.316   1.920  -2.095
   30   2HD2  LEU   3          2HD2      LEU   3  -7.683   0.827  -1.875
   31   3HD2  LEU   3          3HD2      LEU   3  -6.352   0.372  -2.940
   32    H    ALA   4           H        ALA   4  -5.434  -2.645  -4.245
   33    HA   ALA   4           HA       ALA   4  -4.577  -5.350  -3.816
   34   1HB   ALA   4          1HB       ALA   4  -3.754  -4.638  -6.360
   35   2HB   ALA   4          2HB       ALA   4  -5.190  -3.653  -6.082
   36   3HB   ALA   4          3HB       ALA   4  -5.280  -5.407  -5.926
   37    H    GLU   5           H        GLU   5  -2.430  -5.866  -5.221
   38    HA   GLU   5           HA       GLU   5  -0.307  -4.889  -3.619
   39   1HB   GLU   5          2HB       GLU   5   1.122  -6.304  -5.092
   40   2HB   GLU   5          1HB       GLU   5  -0.215  -7.162  -4.342
   41   1HG   GLU   5          2HG       GLU   5  -1.481  -6.935  -6.458
   42   2HG   GLU   5          1HG       GLU   5  -0.050  -6.208  -7.189
   43    H    ALA   6           H        ALA   6   1.287  -3.557  -4.064
   44    HA   ALA   6           HA       ALA   6   2.384  -1.770  -4.895
   45   1HB   ALA   6          1HB       ALA   6   2.789  -1.690  -7.331
   46   2HB   ALA   6          2HB       ALA   6   1.612  -2.985  -7.551
   47   3HB   ALA   6          3HB       ALA   6   3.097  -3.287  -6.648
   48    H    ALA   7           H        ALA   7  -0.172  -1.311  -4.032
   49    HA   ALA   7           HA       ALA   7  -1.122   0.730  -5.950
   50   1HB   ALA   7          1HB       ALA   7  -2.657  -1.259  -5.462
   51   2HB   ALA   7          2HB       ALA   7  -3.348   0.358  -5.319
   52   3HB   ALA   7          3HB       ALA   7  -2.882  -0.534  -3.870
   53    H    ASP   8           H        ASP   8  -1.658   2.778  -5.137
   54    HA   ASP   8           HA       ASP   8  -0.178   3.656  -2.915
   55   1HB   ASP   8          2HB       ASP   8  -1.243   5.813  -3.236
   56   2HB   ASP   8          1HB       ASP   8  -0.820   5.125  -4.798
   57    H    CYS   9           H        CYS   9  -0.839   4.428  -0.878
   58    HA   CYS   9           HA       CYS   9  -3.521   3.753   0.021
   59   1HB   CYS   9          2HB       CYS   9  -2.411   2.637   2.087
   60   2HB   CYS   9          1HB       CYS   9  -2.631   1.709   0.614
   61    H    SER  10           H        SER  10  -4.112   4.627   1.978
   62    HA   SER  10           HA       SER  10  -2.503   6.944   2.816
   63   1HB   SER  10          2HB       SER  10  -4.743   7.465   1.850
   64   2HB   SER  10          1HB       SER  10  -5.490   6.489   3.113
   65    HG   SER  10           HG       SER  10  -5.111   8.970   3.305
   66    HA   PRO  11           HA       PRO  11  -1.656   4.939   6.640
   67   1HB   PRO  11          2HB       PRO  11  -1.711   7.217   8.245
   68   2HB   PRO  11          1HB       PRO  11  -0.313   6.617   7.348
   69   1HG   PRO  11          2HG       PRO  11  -2.247   8.772   6.627
   70   2HG   PRO  11          1HG       PRO  11  -0.499   8.687   6.343
   71   1HD   PRO  11          2HD       PRO  11  -2.247   8.244   4.373
   72   2HD   PRO  11          1HD       PRO  11  -0.736   7.321   4.491
   73    H    TRP  12           H        TRP  12  -4.368   7.229   6.519
   74    HA   TRP  12           HA       TRP  12  -5.842   5.440   8.310
   75   1HB   TRP  12          2HB       TRP  12  -5.699   8.440   8.685
   76   2HB   TRP  12          1HB       TRP  12  -6.775   7.362   9.563
   77    HD1  TRP  12           HD       TRP  12  -5.535   5.574  11.264
   78    HE1  TRP  12           1HE      TRP  12  -3.380   5.861  12.639
   79    HE3  TRP  12           3HE      TRP  12  -3.475   9.515   8.739
   80    HZ2  TRP  12           2HZ      TRP  12  -1.111   7.540  12.660
   81    HZ3  TRP  12           3HZ      TRP  12  -1.314  10.406   9.506
   82    HH2  TRP  12           HH       TRP  12  -0.158   9.439  11.426
   83    H    SER  13           H        SER  13  -6.098   8.372   6.317
   84    HA   SER  13           HA       SER  13  -8.893   7.993   5.831
   85   1HB   SER  13          2HB       SER  13  -6.993   9.832   4.370
   86   2HB   SER  13          1HB       SER  13  -8.743   9.997   4.524
   87    HG   SER  13           HG       SER  13  -8.465  10.368   6.736
   88    H    GLY  14           H        GLY  14  -8.105   5.639   5.054
   89   1HA   GLY  14          2HA       GLY  14  -8.752   5.517   2.299
   90   2HA   GLY  14          1HA       GLY  14  -7.025   5.277   2.514
   91    H    ASP  15           H        ASP  15  -8.859   3.386   1.466
   92    HA   ASP  15           HA       ASP  15  -9.724   1.442   3.284
   93   1HB   ASP  15          2HB       ASP  15  -8.914   1.298   0.388
   94   2HB   ASP  15          1HB       ASP  15  -9.417  -0.135   1.268
   95    H    SER  16           H        SER  16  -8.802  -0.525   3.930
   96    HA   SER  16           HA       SER  16  -5.960  -0.408   4.380
   97   1HB   SER  16          2HB       SER  16  -7.760  -2.742   5.009
   98   2HB   SER  16          1HB       SER  16  -6.275  -2.261   5.825
   99    HG   SER  16           HG       SER  16  -7.779  -0.193   6.073
  100    H    CYS  17           H        CYS  17  -4.428  -1.845   3.557
  101    HA   CYS  17           HA       CYS  17  -4.801  -2.695   0.894
  102   1HB   CYS  17          2HB       CYS  17  -2.644  -3.681   2.767
  103   2HB   CYS  17          1HB       CYS  17  -2.568  -3.533   1.015
  104    H    CYS  18           H        CYS  18  -5.065  -4.740   0.009
  105    HA   CYS  18           HA       CYS  18  -6.545  -6.664   1.471
  106   1HB   CYS  18          2HB       CYS  18  -5.032  -7.071  -1.128
  107   2HB   CYS  18          1HB       CYS  18  -6.316  -8.093  -0.504
  108    H    LYS  19           H        LYS  19  -5.880  -8.570   2.393
  109    HA   LYS  19           HA       LYS  19  -3.116  -8.623   3.158
  110   1HB   LYS  19          2HB       LYS  19  -5.258 -10.646   3.787
  111   2HB   LYS  19          1HB       LYS  19  -3.729 -10.440   4.603
  112   1HG   LYS  19          2HG       LYS  19  -4.406  -8.269   5.426
  113   2HG   LYS  19          1HG       LYS  19  -5.935  -8.402   4.558
  114   1HD   LYS  19          2HD       LYS  19  -6.598 -10.275   5.925
  115   2HD   LYS  19          1HD       LYS  19  -5.022 -10.298   6.719
  116   1HE   LYS  19          2HE       LYS  19  -6.728  -9.230   8.119
  117   2HE   LYS  19          1HE       LYS  19  -5.449  -8.102   7.672
  118   1HZ   LYS  19          1HZ       LYS  19  -7.849  -7.308   7.507
  119   2HZ   LYS  19          2HZ       LYS  19  -7.958  -8.267   6.119
  120   3HZ   LYS  19          3HZ       LYS  19  -6.839  -7.000   6.185
  121    HA   PRO  20           HA       PRO  20  -1.883  -9.941   3.938
  122   1HB   PRO  20          2HB       PRO  20   0.477 -11.187   3.754
  123   2HB   PRO  20          1HB       PRO  20  -1.012 -12.082   4.081
  124   1HG   PRO  20          2HG       PRO  20   0.597 -11.939   1.597
  125   2HG   PRO  20          1HG       PRO  20  -0.454 -13.238   2.184
  126   1HD   PRO  20          2HD       PRO  20  -1.074 -11.194   0.267
  127   2HD   PRO  20          1HD       PRO  20  -2.140 -12.475   0.879
  128    H    TYR  21           H        TYR  21  -1.772  -8.286   1.419
  129    HA   TYR  21           HA       TYR  21   0.961  -7.390   1.208
  130   1HB   TYR  21          2HB       TYR  21  -1.481  -5.949   0.155
  131   2HB   TYR  21          1HB       TYR  21   0.185  -5.789  -0.383
  132    HD1  TYR  21           1HD      TYR  21  -2.885  -7.701  -0.703
  133    HD2  TYR  21           2HD      TYR  21   1.254  -7.613  -1.665
  134    HE1  TYR  21           1HE      TYR  21  -3.254  -9.423  -2.420
  135    HE2  TYR  21           2HE      TYR  21   0.899  -9.330  -3.384
  136    HH   TYR  21           HH       TYR  21  -0.994 -10.137  -4.810
  137    H    LEU  22           H        LEU  22   1.834  -5.475   1.943
  138    HA   LEU  22           HA       LEU  22   0.273  -4.128   4.049
  139   1HB   LEU  22          2HB       LEU  22   2.008  -5.529   4.997
  140   2HB   LEU  22          1HB       LEU  22   3.215  -4.783   3.970
  141    HG   LEU  22           HG       LEU  22   2.802  -2.620   5.161
  142   1HD1  LEU  22          1HD1      LEU  22   0.769  -2.613   6.166
  143   2HD1  LEU  22          2HD1      LEU  22   1.733  -3.171   7.534
  144   3HD1  LEU  22          3HD1      LEU  22   0.830  -4.331   6.559
  145   1HD2  LEU  22          1HD2      LEU  22   4.363  -3.106   6.732
  146   2HD2  LEU  22          2HD2      LEU  22   4.469  -4.599   5.799
  147   3HD2  LEU  22          3HD2      LEU  22   3.520  -4.553   7.285
  148    H    CYS  23           H        CYS  23   0.362  -1.939   4.199
  149    HA   CYS  23           HA       CYS  23   1.083  -0.443   1.879
  150   1HB   CYS  23          2HB       CYS  23  -0.845   0.137   3.315
  151   2HB   CYS  23          1HB       CYS  23   0.255   0.500   4.637
  152    H    SER  24           H        SER  24   3.051   0.354   1.411
  153    HA   SER  24           HA       SER  24   4.990   0.536   3.605
  154   1HB   SER  24          2HB       SER  24   6.738   0.380   1.881
  155   2HB   SER  24          1HB       SER  24   5.631  -0.988   1.787
  156    HG   SER  24           HG       SER  24   4.528   0.253   0.103
  157    H    CYS  25           H        CYS  25   5.742   2.415   4.238
  158    HA   CYS  25           HA       CYS  25   5.244   4.795   2.579
  159   1HB   CYS  25          2HB       CYS  25   5.420   4.555   5.595
  160   2HB   CYS  25          1HB       CYS  25   5.277   6.076   4.722
  161    H    ILE  26           H        ILE  26   7.343   3.826   1.668
  162    HA   ILE  26           HA       ILE  26   9.726   4.086   3.201
  163    HB   ILE  26           HB       ILE  26   9.521   2.481   1.403
  164   1HG1  ILE  26          2HG1      ILE  26  11.709   2.942   0.284
  165   2HG1  ILE  26          1HG1      ILE  26  11.697   4.536   1.015
  166   1HG2  ILE  26          1HG2      ILE  26   9.769   3.279  -0.973
  167   2HG2  ILE  26          2HG2      ILE  26   9.356   4.889  -0.382
  168   3HG2  ILE  26          3HG2      ILE  26   8.200   3.568  -0.219
  169   1HD1  ILE  26          1HD1      ILE  26  11.265   2.487   2.992
  170   2HD1  ILE  26          2HD1      ILE  26  12.503   3.741   2.916
  171   3HD1  ILE  26          3HD1      ILE  26  12.752   2.205   2.086
  172    H    PHE  27           H        PHE  27   8.735   6.348   3.671
  173    HA   PHE  27           HA       PHE  27   9.007   8.596   3.744
  174   1HB   PHE  27          2HB       PHE  27  11.646   7.757   2.562
  175   2HB   PHE  27          1HB       PHE  27  11.295   9.429   2.983
  176    HD1  PHE  27           1HD      PHE  27  12.276  10.086   4.928
  177    HD2  PHE  27           2HD      PHE  27  10.797   6.106   4.641
  178    HE1  PHE  27           1HE      PHE  27  12.985   9.660   7.244
  179    HE2  PHE  27           2HE      PHE  27  11.501   5.674   6.959
  180    HZ   PHE  27           HZ       PHE  27  12.596   7.452   8.263
  181    H    PHE  28           H        PHE  28   7.807   7.433   1.241
  182    HA   PHE  28           HA       PHE  28   8.147   9.846  -0.401
  183   1HB   PHE  28          2HB       PHE  28   8.055   6.996  -1.303
  184   2HB   PHE  28          1HB       PHE  28   7.454   8.259  -2.355
  185    HD1  PHE  28           1HD      PHE  28   8.904   8.819  -4.009
  186    HD2  PHE  28           2HD      PHE  28  10.478   7.825  -0.185
  187    HE1  PHE  28           1HE      PHE  28  11.180   9.232  -4.843
  188    HE2  PHE  28           2HE      PHE  28  12.756   8.239  -1.009
  189    HZ   PHE  28           HZ       PHE  28  13.111   8.944  -3.342
  190    H    TYR  29           H        TYR  29   6.358  10.832  -0.946
  191    HA   TYR  29           HA       TYR  29   3.818   9.765   0.011
  192   1HB   TYR  29          2HB       TYR  29   4.520  12.097   0.593
  193   2HB   TYR  29          1HB       TYR  29   4.435  12.509  -1.115
  194    HD1  TYR  29           1HD      TYR  29   2.560  13.705  -1.702
  195    HD2  TYR  29           2HD      TYR  29   2.226  10.779   1.368
  196    HE1  TYR  29           1HE      TYR  29   0.176  14.251  -1.449
  197    HE2  TYR  29           2HE      TYR  29  -0.159  11.314   1.627
  198    HH   TYR  29           HH       TYR  29  -1.606  14.056   0.094
  199    HA   PRO  30           HA       PRO  30   2.120   9.265  -0.164
  200   1HB   PRO  30          2HB       PRO  30   0.112   7.740  -1.040
  201   2HB   PRO  30          1HB       PRO  30   0.084   9.493  -1.256
  202   1HG   PRO  30          2HG       PRO  30   0.558   7.355  -3.248
  203   2HG   PRO  30          1HG       PRO  30  -0.106   8.980  -3.476
  204   1HD   PRO  30          2HD       PRO  30   2.580   8.096  -3.933
  205   2HD   PRO  30          1HD       PRO  30   1.930   9.737  -4.112
  206    H    CYS  31           H        CYS  31   1.314   7.021   0.719
  207    HA   CYS  31           HA       CYS  31   3.533   5.202   0.491
  208   1HB   CYS  31          2HB       CYS  31   0.937   4.884   2.018
  209   2HB   CYS  31          1HB       CYS  31   2.400   3.933   2.241
  210    H    SER  32           H        SER  32   3.072   2.801   0.129
  211    HA   SER  32           HA       SER  32   0.757   2.299  -1.560
  212   1HB   SER  32          2HB       SER  32   2.357   1.294  -3.325
  213   2HB   SER  32          1HB       SER  32   2.160   3.047  -3.278
  214    HG   SER  32           HG       SER  32   4.085   3.027  -1.886
  215    H    CYS  33           H        CYS  33   0.001   0.288  -1.347
  216    HA   CYS  33           HA       CYS  33   1.197  -1.517   0.499
  217   1HB   CYS  33          2HB       CYS  33  -0.964  -2.307  -1.445
  218   2HB   CYS  33          1HB       CYS  33  -0.689  -2.885   0.190
  219    H    ARG  34           H        ARG  34   2.495  -3.160   0.138
  220    HA   ARG  34           HA       ARG  34   3.073  -3.953  -2.643
  221   1HB   ARG  34          2HB       ARG  34   5.072  -3.753  -0.377
  222   2HB   ARG  34          1HB       ARG  34   5.422  -4.184  -2.042
  223   1HG   ARG  34          2HG       ARG  34   4.310  -1.512  -1.234
  224   2HG   ARG  34          1HG       ARG  34   6.037  -1.850  -1.371
  225   1HD   ARG  34          2HD       ARG  34   5.849  -2.303  -3.689
  226   2HD   ARG  34          1HD       ARG  34   4.087  -2.321  -3.612
  227    HE   ARG  34           HE       ARG  34   4.901   0.193  -2.769
  228   1HH1  ARG  34          1HH1      ARG  34   5.128  -1.732  -5.683
  229   2HH1  ARG  34          2HH1      ARG  34   5.095  -0.366  -6.744
  230   1HH2  ARG  34          1HH2      ARG  34   4.843   1.997  -4.151
  231   2HH2  ARG  34          2HH2      ARG  34   4.942   1.768  -5.872
  232    HA   PRO  35           HA       PRO  35   2.414  -8.138  -1.394
  233   1HB   PRO  35          2HB       PRO  35   4.677  -9.413  -2.331
  234   2HB   PRO  35          1HB       PRO  35   3.267  -9.014  -3.318
  235   1HG   PRO  35          2HG       PRO  35   5.869  -7.568  -3.051
  236   2HG   PRO  35          1HG       PRO  35   4.882  -7.846  -4.498
  237   1HD   PRO  35          2HD       PRO  35   4.899  -5.477  -3.230
  238   2HD   PRO  35          1HD       PRO  35   3.427  -6.115  -3.989
  239    H    LYS  36           H        LYS  36   3.020  -9.668   0.206
  240    HA   LYS  36           HA       LYS  36   4.681  -8.552   2.259
  241   1HB   LYS  36          2HB       LYS  36   2.601  -9.792   2.763
  242   2HB   LYS  36          1HB       LYS  36   3.332 -11.256   2.117
  243   1HG   LYS  36          2HG       LYS  36   5.045 -11.171   3.866
  244   2HG   LYS  36          1HG       LYS  36   4.293  -9.715   4.520
  245   1HD   LYS  36          2HD       LYS  36   2.234 -10.969   4.946
  246   2HD   LYS  36          1HD       LYS  36   2.986 -12.425   4.289
  247   1HE   LYS  36          2HE       LYS  36   4.686 -12.334   6.052
  248   2HE   LYS  36          1HE       LYS  36   3.922 -10.887   6.709
  249   1HZ   LYS  36          1HZ       LYS  36   3.373 -13.175   7.725
  250   2HZ   LYS  36          2HZ       LYS  36   2.359 -13.362   6.386
  251   3HZ   LYS  36          3HZ       LYS  36   2.114 -12.077   7.458
  252    H    GLY  37           H        GLY  37   6.786  -8.717   2.276
  253   1HA   GLY  37          2HA       GLY  37   8.781 -10.020   2.479
  254   2HA   GLY  37          1HA       GLY  37   8.054 -11.227   1.423
  255    H    TRP  38           H        TRP  38   8.318  -7.717   1.075
  256    HA   TRP  38           HA       TRP  38   9.233  -8.017  -1.637
  257   1HB   TRP  38          2HB       TRP  38   9.034  -5.587  -1.768
  258   2HB   TRP  38          1HB       TRP  38   7.585  -6.272  -1.046
  259    HD1  TRP  38           HD       TRP  38  10.869  -4.583   0.166
  260    HE1  TRP  38           1HE      TRP  38  10.319  -3.169   2.240
  261    HE3  TRP  38           3HE      TRP  38   5.911  -5.736   0.652
  262    HZ2  TRP  38           2HZ      TRP  38   8.083  -2.606   3.865
  263    HZ3  TRP  38           3HZ      TRP  38   4.639  -4.714   2.492
  264    HH2  TRP  38           HH       TRP  38   5.703  -3.182   4.065