*HEADER    TOXIN                                   09-JAN-20   6VH8              
*TITLE     NMR SOLUTION STRUCTURE OF EXCELSATOXIN A                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EXCELSATOXIN A;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: DENDROCNIDE EXCELSA;                            
*SOURCE   4 ORGANISM_TAXID: 647263                                               
*KEYWDS    ICK PEPTIDE, INHIBITOR CYSTINE KNOT, PLANT TOXIN, TOXIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    P.J.HARVEY,T.DUREK,D.J.CRAIK                                          
*REVDAT   1   30-SEP-20 6VH8    0                                                
# Restraints file 1: extxarestraints.tbl
!distance restraints
assign (resid   1 and name   HA)   (resid   1 and name   HG)   2.960    1.160    1.160  
assign (resid   1 and name   HA)   (resid   2 and name  HD1)   2.575    0.775    0.775  
assign (resid   1 and name   HA)   (resid   2 and name  HD2)   2.575    0.775    0.775  
assign (resid   2 and name  HB2)   (resid   3 and name   HN)   2.870    1.070    1.070  
assign (resid   2 and name  HB1)   (resid   3 and name   HN)   2.870    1.070    1.070  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.530    0.730    0.730  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.390    0.590    0.590  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.890    1.090    1.090  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.890    1.090    1.090  
assign (resid   4 and name   HN)   (resid   5 and name   HN)   3.070    1.270    1.270  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.550    0.750    0.750  
assign (resid   4 and name  HB1)   (resid   6 and name   HN)   2.690    0.890    0.890  
assign (resid   6 and name   HN)   (resid   6 and name  HB1)   2.860    1.060    1.060  
assign (resid   6 and name   HN)   (resid   6 and name  HB2)   2.860    1.060    1.060  
assign (resid   4 and name   HA)   (resid   6 and name   HN)   3.440    1.640    1.640  
assign (resid   7 and name  HD1)   (resid   8 and name   HN)   2.960    1.160    1.160  
assign (resid   7 and name  HD2)   (resid   8 and name   HN)   2.680    0.880    0.880  
assign (resid   8 and name   HA)   (resid   8 and name  HD#)   2.855    1.055    1.055  
assign (resid   8 and name  HB1)   (resid   9 and name   HN)   3.155    1.355    1.355  
assign (resid   8 and name  HB2)   (resid   9 and name   HN)   3.155    1.355    1.355  
assign (resid  15 and name   HN)   (resid  15 and name  HA1)   2.350    0.550    0.550  
assign (resid   8 and name  HD#)   (resid   9 and name   HN)   2.910    1.110    1.110  
assign (resid   9 and name   HN)   (resid  30 and name   HN)   2.605    0.805    0.805  
assign (resid  14 and name   HN)   (resid  15 and name   HN)   2.475    0.675    0.675  
assign (resid  15 and name   HN)   (resid  16 and name   HN)   2.575    0.775    0.775  
assign (resid  15 and name   HN)   (resid  17 and name   HN)   3.500    1.700    1.700  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   2.860    1.060    1.060  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   2.860    1.060    1.060  
assign (resid  10 and name   HN)   (resid  11 and name   HN)   3.245    1.445    1.445  
assign (resid   8 and name  HD#)   (resid  30 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name   HN)   (resid  30 and name   HN)   3.650    1.850    1.850  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.365    0.565    0.565  
assign (resid  11 and name   HN)   (resid  28 and name HG2#)   2.675    0.875    0.875  
assign (resid  11 and name   HN)   (resid  11 and name HD1#)   3.015    1.215    1.215  
assign (resid  11 and name   HN)   (resid  11 and name HD2#)   3.015    1.215    1.215  
assign (resid  11 and name   HN)   (resid  11 and name   HG)   2.485    0.685    0.685  
assign (resid  11 and name   HN)   (resid  25 and name  HB2)   2.940    1.140    1.140  
assign (resid  11 and name   HN)   (resid  25 and name  HB1)   2.750    0.950    0.950  
assign (resid  19 and name   HN)   (resid  19 and name  HB2)   2.415    0.615    0.615  
assign (resid  19 and name   HN)   (resid  19 and name  HB1)   2.790    0.990    0.990  
assign (resid  11 and name   HN)   (resid  11 and name   HA)   2.295    0.495    0.495  
assign (resid  11 and name   HN)   (resid  28 and name   HA)   3.080    1.280    1.280  
assign (resid  11 and name   HN)   (resid  12 and name   HN)   2.620    0.820    0.820  
assign (resid  19 and name   HN)   (resid  20 and name   HN)   2.315    0.515    0.515  
assign (resid  12 and name   HN)   (resid  28 and name HG2#)   3.125    1.325    1.325  
assign (resid  11 and name  HB1)   (resid  12 and name   HN)   2.935    1.135    1.135  
assign (resid  11 and name  HB2)   (resid  12 and name   HN)   2.935    1.135    1.135  
assign (resid  11 and name   HG)   (resid  12 and name   HN)   3.150    1.350    1.350  
assign (resid  12 and name   HN)   (resid  13 and name  HB2)   3.345    1.545    1.545  
assign (resid  12 and name   HN)   (resid  12 and name  HB1)   2.815    1.015    1.015  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.815    1.015    1.015  
assign (resid  10 and name   HA)   (resid  12 and name   HN)   3.190    1.390    1.390  
assign (resid  12 and name   HN)   (resid  13 and name   HN)   2.370    0.570    0.570  
assign (resid  13 and name   HN)   (resid  14 and name HG2#)   2.930    1.130    1.130  
assign (resid  16 and name HD2#)   (resid  17 and name   HN)   3.050    1.250    1.250  
assign (resid  13 and name   HN)   (resid  13 and name  HG2)   3.500    1.700    1.700  
assign (resid  13 and name   HN)   (resid  13 and name  HG1)   3.500    1.700    1.700  
assign (resid  13 and name   HN)   (resid  13 and name  HB2)   2.595    0.795    0.795  
assign (resid  13 and name   HN)   (resid  13 and name  HB1)   2.855    1.055    1.055  
assign (resid  12 and name  HB1)   (resid  13 and name   HN)   3.055    1.255    1.255  
assign (resid  12 and name  HB2)   (resid  13 and name   HN)   3.055    1.255    1.255  
assign (resid  13 and name   HN)   (resid  14 and name   HN)   2.855    1.055    1.055  
assign (resid  13 and name   HA)   (resid  14 and name   HN)   2.310    0.510    0.510  
assign (resid  14 and name   HN)   (resid  14 and name HD1#)   2.925    1.125    1.125  
assign (resid  14 and name   HN)   (resid  14 and name HG2#)   2.385    0.585    0.585  
assign (resid  14 and name   HN)   (resid  14 and name HG12)   2.435    0.635    0.635  
assign (resid  14 and name   HN)   (resid  14 and name HG11)   2.645    0.845    0.845  
assign (resid  13 and name  HB2)   (resid  14 and name   HN)   3.285    1.485    1.485  
assign (resid  14 and name   HN)   (resid  14 and name   HB)   2.760    0.960    0.960  
assign (resid  14 and name   HA)   (resid  14 and name HG2#)   2.485    0.685    0.685  
assign (resid  14 and name   HA)   (resid  14 and name HD1#)   3.085    1.285    1.285  
assign (resid  12 and name   HA)   (resid  14 and name   HN)   3.435    1.635    1.635  
assign (resid  15 and name   HN)   (resid  15 and name  HA2)   2.350    0.550    0.550  
assign (resid  14 and name HG2#)   (resid  15 and name   HN)   3.080    1.280    1.280  
assign (resid  14 and name HD1#)   (resid  15 and name   HN)   3.195    1.395    1.395  
assign (resid  15 and name   HN)   (resid  16 and name HD2#)   3.295    1.495    1.495  
assign (resid  14 and name HG11)   (resid  15 and name   HN)   2.770    0.970    0.970  
assign (resid  14 and name HG12)   (resid  15 and name   HN)   2.910    1.110    1.110  
assign (resid  14 and name   HB)   (resid  15 and name   HN)   3.025    1.225    1.225  
assign (resid   9 and name   HN)   (resid  16 and name   HG)   3.550    1.750    1.750  
assign (resid  15 and name   HN)   (resid  16 and name  HB2)   3.350    1.550    1.550  
assign (resid  13 and name   HA)   (resid  15 and name   HN)   2.775    0.975    0.975  
assign (resid  14 and name   HA)   (resid  16 and name   HN)   2.840    1.040    1.040  
assign (resid  12 and name  HD#)   (resid  28 and name HG2#)   2.770    0.970    0.970  
assign (resid  12 and name  HD#)   (resid  28 and name HD1#)   3.540    1.740    1.740  
assign (resid  16 and name   HN)   (resid  16 and name HD1#)   2.965    1.165    1.165  
assign (resid  16 and name   HN)   (resid  16 and name HD2#)   2.740    0.940    0.940  
assign (resid  11 and name   HG)   (resid  12 and name  HD#)   3.485    1.685    1.685  
assign (resid  16 and name   HN)   (resid  16 and name  HB1)   2.695    0.895    0.895  
assign (resid  16 and name   HN)   (resid  16 and name  HB2)   2.360    0.560    0.560  
assign (resid  13 and name  HB1)   (resid  16 and name   HN)   3.095    1.295    1.295  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   2.615    0.815    0.815  
assign (resid  13 and name   HA)   (resid  16 and name   HN)   3.285    1.485    1.485  
assign (resid   9 and name   HA)   (resid  16 and name   HN)   3.610    1.810    1.810  
assign (resid  16 and name   HN)   (resid  17 and name   HN)   2.585    0.785    0.785  
assign (resid  17 and name   HN)   (resid  17 and name  HB2)   2.700    0.900    0.900  
assign (resid  17 and name   HN)   (resid  17 and name  HB1)   2.910    1.110    1.110  
assign (resid  17 and name  HB1)   (resid  18 and name   HN)   3.075    1.275    1.275  
assign (resid  14 and name   HA)   (resid  17 and name   HN)   3.180    1.380    1.380  
assign (resid  11 and name   HN)   (resid  13 and name   HN)   3.250    1.450    1.450  
assign (resid  18 and name   HN)   (resid  19 and name   HN)   3.345    1.545    1.545  
assign (resid  19 and name   HN)   (resid  21 and name   HN)   3.085    1.285    1.285  
assign (resid  20 and name   HN)   (resid  20 and name  HG1)   2.705    0.905    0.905  
assign (resid  20 and name   HN)   (resid  20 and name  HG2)   2.705    0.905    0.905  
assign (resid  25 and name  HB1)   (resid  30 and name   HN)   3.100    1.300    1.300  
assign (resid  20 and name   HN)   (resid  20 and name  HB2)   2.480    0.680    0.680  
assign (resid  20 and name   HN)   (resid  20 and name  HB1)   2.790    0.990    0.990  
assign (resid  19 and name  HB1)   (resid  20 and name   HN)   3.020    1.220    1.220  
assign (resid  19 and name  HB2)   (resid  20 and name   HN)   3.430    1.630    1.630  
assign (resid  25 and name   HA)   (resid  30 and name   HN)   2.995    1.195    1.195  
assign (resid  29 and name   HA)   (resid  30 and name   HN)   2.375    0.575    0.575  
assign (resid  10 and name   HA)   (resid  30 and name   HN)   2.675    0.875    0.875  
assign (resid  30 and name   HN)   (resid  31 and name   HN)   3.170    1.370    1.370  
assign (resid  20 and name   HN)   (resid  21 and name   HN)   2.410    0.610    0.610  
assign (resid  20 and name  HB2)   (resid  21 and name   HN)   2.955    1.155    1.155  
assign (resid  20 and name  HB1)   (resid  21 and name   HN)   3.170    1.370    1.370  
assign (resid  21 and name   HN)   (resid  21 and name  HB1)   2.940    1.140    1.140  
assign (resid  17 and name  HB2)   (resid  21 and name   HN)   3.180    1.380    1.380  
assign (resid  21 and name   HN)   (resid  21 and name  HB2)   2.955    1.155    1.155  
assign (resid  21 and name   HA)   (resid  22 and name   HN)   2.420    0.620    0.620  
assign (resid  22 and name   HN)   (resid  33 and name HG1#)   2.930    1.130    1.130  
assign (resid  22 and name   HN)   (resid  22 and name HG2#)   2.900    1.100    1.100  
assign (resid  21 and name  HB1)   (resid  22 and name   HN)   2.650    0.850    0.850  
assign (resid  17 and name  HB2)   (resid  22 and name   HN)   3.650    1.850    1.850  
assign (resid  17 and name  HB1)   (resid  22 and name   HN)   3.375    1.575    1.575  
assign (resid  21 and name  HB2)   (resid  22 and name   HN)   2.875    1.075    1.075  
assign (resid  22 and name   HN)   (resid  22 and name   HB)   2.535    0.735    0.735  
assign (resid  22 and name   HN)   (resid  35 and name   HN)   3.170    1.370    1.370  
assign (resid  22 and name   HN)   (resid  33 and name   HN)   2.630    0.830    0.830  
assign (resid  22 and name HG2#)   (resid  23 and name   HN)   2.875    1.075    1.075  
assign (resid  23 and name   HN)   (resid  23 and name  HB1)   2.965    1.165    1.165  
assign (resid  23 and name   HN)   (resid  23 and name  HB2)   2.965    1.165    1.165  
assign (resid  22 and name   HA)   (resid  23 and name   HN)   2.560    0.760    0.760  
assign (resid  23 and name   HA)   (resid  24 and name   HN)   2.370    0.570    0.570  
assign (resid  24 and name   HN)   (resid  24 and name   HB)   2.525    0.725    0.725  
assign (resid  23 and name  HB1)   (resid  24 and name   HN)   3.390    1.590    1.590  
assign (resid  24 and name   HN)   (resid  32 and name   HA)   3.105    1.305    1.305  
assign (resid  24 and name   HN)   (resid  31 and name   HN)   3.000    1.200    1.200  
assign (resid  26 and name   HN)   (resid  26 and name HD2#)   3.270    1.470    1.470  
assign (resid  26 and name   HN)   (resid  26 and name HD1#)   3.270    1.470    1.470  
assign (resid  25 and name   HA)   (resid  26 and name   HN)   2.510    0.710    0.710  
assign (resid  28 and name   HA)   (resid  28 and name HG12)   2.935    1.135    1.135  
assign (resid  28 and name   HN)   (resid  28 and name HG2#)   3.000    1.200    1.200  
assign (resid  28 and name   HN)   (resid  28 and name HD1#)   3.050    1.250    1.250  
assign (resid  28 and name   HN)   (resid  28 and name HG11)   2.925    1.125    1.125  
assign (resid  28 and name   HN)   (resid  28 and name HG12)   2.925    1.125    1.125  
assign (resid  28 and name   HN)   (resid  28 and name   HB)   2.500    0.700    0.700  
assign (resid  28 and name   HN)   (resid  29 and name   HN)   2.450    0.650    0.650  
assign (resid  35 and name   HN)   (resid  36 and name   HN)   2.850    1.050    1.050  
assign (resid  29 and name   HN)   (resid  29 and name  HB2)   2.870    1.070    1.070  
assign (resid  29 and name   HN)   (resid  29 and name  HB1)   2.870    1.070    1.070  
assign (resid  28 and name HG2#)   (resid  29 and name   HN)   2.880    1.080    1.080  
assign (resid  28 and name   HB)   (resid  29 and name   HN)   2.470    0.670    0.670  
assign (resid  26 and name   HN)   (resid  30 and name  HA1)   3.005    1.205    1.205  
assign (resid  26 and name   HN)   (resid  30 and name  HA2)   2.750    0.950    0.950  
assign (resid  31 and name  HB2)   (resid  32 and name   HN)   3.015    1.215    1.215  
assign (resid  31 and name  HB1)   (resid  32 and name   HN)   3.015    1.215    1.215  
assign (resid  31 and name   HA)   (resid  32 and name   HN)   2.445    0.645    0.645  
assign (resid  33 and name   HN)   (resid  33 and name HG1#)   2.475    0.675    0.675  
assign (resid  33 and name   HN)   (resid  33 and name HG2#)   2.970    1.170    1.170  
assign (resid  22 and name HG2#)   (resid  33 and name   HN)   3.350    1.550    1.550  
assign (resid  33 and name   HN)   (resid  33 and name   HB)   2.600    0.800    0.800  
assign (resid  21 and name  HB1)   (resid  33 and name   HN)   3.205    1.405    1.405  
assign (resid  21 and name  HB2)   (resid  33 and name   HN)   3.285    1.485    1.485  
assign (resid  22 and name   HB)   (resid  33 and name   HN)   3.165    1.365    1.365  
assign (resid  23 and name   HA)   (resid  33 and name   HN)   3.050    1.250    1.250  
assign (resid  32 and name   HA)   (resid  33 and name   HN)   2.375    0.575    0.575  
assign (resid  24 and name   HN)   (resid  33 and name   HN)   3.535    1.735    1.735  
assign (resid  33 and name   HA)   (resid  34 and name  HD1)   2.375    0.575    0.575  
assign (resid  33 and name   HA)   (resid  34 and name  HD2)   2.375    0.575    0.575  
assign (resid  34 and name   HA)   (resid  35 and name   HN)   2.270    0.470    0.470  
assign (resid  34 and name  HB1)   (resid  35 and name   HN)   2.980    1.180    1.180  
assign (resid  34 and name  HG2)   (resid  35 and name   HN)   3.415    1.615    1.615  
assign (resid  34 and name  HB2)   (resid  35 and name   HN)   2.980    1.180    1.180  
assign (resid  21 and name  HB1)   (resid  35 and name   HN)   3.190    1.390    1.390  
assign (resid  35 and name   HN)   (resid  35 and name  HB2)   2.720    0.920    0.920  
assign (resid  35 and name   HN)   (resid  35 and name  HB1)   2.720    0.920    0.920  
assign (resid  21 and name   HA)   (resid  35 and name   HN)   2.660    0.860    0.860  
assign (resid  36 and name   HN)   (resid  36 and name HG1#)   3.115    1.315    1.315  
assign (resid  36 and name   HN)   (resid  36 and name HG2#)   3.115    1.315    1.315  
assign (resid  36 and name   HN)   (resid  36 and name   HB)   2.850    1.050    1.050  
assign (resid  35 and name  HB1)   (resid  36 and name   HN)   3.020    1.220    1.220  
assign (resid  35 and name  HB2)   (resid  36 and name   HN)   3.020    1.220    1.220  
assign (resid  30 and name  HA2)   (resid  31 and name   HN)   2.400    0.600    0.600  
assign (resid   6 and name   HA)   (resid   7 and name  HD2)   2.445    0.645    0.645  
assign (resid  22 and name HG2#)   (resid  24 and name   HN)   3.330    1.530    1.530  
assign (resid   3 and name   HN)   (resid   3 and name  HB1)   2.905    1.105    1.105  
assign (resid   3 and name   HN)   (resid   3 and name  HB2)   2.905    1.105    1.105  
assign (resid   3 and name   HN)   (resid   3 and name  HD2)   3.650    1.850    1.850  
assign (resid   3 and name   HN)   (resid   3 and name  HD1)   3.650    1.850    1.850  
assign (resid  22 and name   HN)   (resid  34 and name   HA)   2.985    1.185    1.185  
assign (resid  22 and name   HN)   (resid  23 and name   HN)   3.380    1.580    1.580  
assign (resid   8 and name   HA)   (resid  30 and name   HN)   3.650    1.850    1.850  
assign (resid  24 and name   HN)   (resid  30 and name  HA1)   3.295    1.495    1.495  
assign (resid  23 and name  HB2)   (resid  24 and name   HN)   3.390    1.590    1.590  
assign (resid  33 and name HG2#)   (resid  35 and name   HN)   3.410    1.610    1.610  
assign (resid  35 and name   HN)   (resid  36 and name HG1#)   3.650    1.850    1.850  
assign (resid  35 and name   HN)   (resid  36 and name HG2#)   3.650    1.850    1.850  
assign (resid  28 and name HD1#)   (resid  29 and name   HN)   3.255    1.455    1.455  
assign (resid  34 and name   HA)   (resid  36 and name   HN)   3.215    1.415    1.415  
assign (resid   4 and name  HB2)   (resid   6 and name   HN)   2.690    0.890    0.890  
assign (resid   6 and name   HN)   (resid   7 and name  HD2)   3.375    1.575    1.575  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.550    0.750    0.750  
assign (resid  23 and name   HA)   (resid  32 and name   HA)   2.830    1.030    1.030  
assign (resid  21 and name  HB1)   (resid  34 and name   HA)   3.070    1.270    1.270  
assign (resid  17 and name  HB1)   (resid  21 and name   HA)   3.330    1.530    1.530  
assign (resid   6 and name   HA)   (resid   7 and name  HD1)   2.365    0.565    0.565  
assign (resid   9 and name   HA)   (resid  16 and name  HB2)   3.015    1.215    1.215  
assign (resid  26 and name   HA)   (resid  26 and name   HG)   2.810    1.010    1.010  
assign (resid  25 and name  HB1)   (resid  26 and name   HA)   3.650    1.850    1.850  
assign (resid   3 and name  HB2)   (resid   4 and name   HA)   3.570    1.770    1.770  
assign (resid  25 and name  HB2)   (resid  26 and name   HA)   3.230    1.430    1.430  
assign (resid   3 and name  HB1)   (resid   4 and name   HA)   3.570    1.770    1.770  
assign (resid  33 and name   HA)   (resid  33 and name HG2#)   2.530    0.730    0.730  
assign (resid  33 and name   HA)   (resid  33 and name HG1#)   2.535    0.735    0.735  
assign (resid   9 and name   HA)   (resid  16 and name HD1#)   3.245    1.445    1.445  
assign (resid  23 and name   HA)   (resid  33 and name HG1#)   3.425    1.625    1.625  
assign (resid  25 and name   HA)   (resid  30 and name  HA2)   2.645    0.845    0.845  
assign (resid  17 and name  HB1)   (resid  22 and name   HA)   2.990    1.190    1.190  
assign (resid  17 and name  HB2)   (resid  22 and name   HA)   2.995    1.195    1.195  
assign (resid  21 and name  HB2)   (resid  22 and name   HA)   3.165    1.365    1.365  
assign (resid  13 and name   HA)   (resid  13 and name  HD2)   2.950    1.150    1.150  
assign (resid  13 and name   HA)   (resid  13 and name  HD1)   2.950    1.150    1.150  
assign (resid  26 and name   HG)   (resid  30 and name  HA2)   3.065    1.265    1.265  
assign (resid  30 and name  HA2)   (resid  31 and name   HG)   3.230    1.430    1.430  
assign (resid  20 and name   HA)   (resid  20 and name  HD2)   3.170    1.370    1.370  
assign (resid  20 and name   HA)   (resid  20 and name  HD1)   3.170    1.370    1.370  
assign (resid   2 and name   HA)   (resid   3 and name  HB2)   3.650    1.850    1.850  
assign (resid   2 and name   HA)   (resid   3 and name  HB1)   3.650    1.850    1.850  
assign (resid  22 and name   HA)   (resid  22 and name HG2#)   2.525    0.725    0.725  
assign (resid  13 and name   HA)   (resid  16 and name HD2#)   3.055    1.255    1.255  
assign (resid  13 and name   HA)   (resid  14 and name HG2#)   3.115    1.315    1.315  
assign (resid  26 and name HD1#)   (resid  30 and name  HA2)   3.455    1.655    1.655  
assign (resid  33 and name HG1#)   (resid  35 and name   HA)   3.140    1.340    1.340  
assign (resid  33 and name HG2#)   (resid  35 and name   HA)   3.130    1.330    1.330  
assign (resid  26 and name HD2#)   (resid  30 and name  HA2)   3.455    1.655    1.655  
assign (resid  12 and name   HA)   (resid  14 and name HG2#)   3.240    1.440    1.440  
assign (resid  25 and name   HA)   (resid  30 and name  HA1)   2.395    0.595    0.595  
assign (resid   3 and name   HA)   (resid   3 and name  HD2)   3.610    1.810    1.810  
assign (resid   3 and name   HA)   (resid   3 and name  HD1)   3.610    1.810    1.810  
assign (resid  25 and name  HB1)   (resid  28 and name   HA)   2.980    1.180    1.180  
assign (resid  16 and name   HA)   (resid  16 and name   HG)   2.955    1.155    1.155  
assign (resid   3 and name   HA)   (resid   3 and name  HG2)   2.860    1.060    1.060  
assign (resid   3 and name   HA)   (resid   3 and name  HG1)   2.860    1.060    1.060  
assign (resid  28 and name   HA)   (resid  28 and name HD1#)   2.845    1.045    1.045  
assign (resid  28 and name   HA)   (resid  28 and name HG2#)   2.545    0.745    0.745  
assign (resid  28 and name   HA)   (resid  28 and name HG11)   2.935    1.135    1.135  
assign (resid  16 and name   HA)   (resid  16 and name HD1#)   2.425    0.625    0.625  
assign (resid  11 and name   HA)   (resid  11 and name   HG)   2.980    1.180    1.180  
assign (resid  11 and name   HA)   (resid  14 and name HG12)   3.560    1.760    1.760  
assign (resid   7 and name  HD2)   (resid  16 and name  HB1)   3.215    1.415    1.415  
assign (resid  25 and name   HA)   (resid  26 and name  HB1)   3.295    1.495    1.495  
assign (resid  11 and name   HA)   (resid  11 and name HD2#)   3.030    1.230    1.230  
assign (resid  11 and name   HA)   (resid  14 and name HD1#)   3.255    1.455    1.455  
assign (resid  11 and name   HA)   (resid  11 and name HD1#)   3.030    1.230    1.230  
assign (resid   1 and name   HA)   (resid   1 and name  HD#)   2.510    0.710    0.710  
assign (resid   1 and name   HA)   (resid   2 and name  HD#)   2.265    0.465    0.465  
assign (resid   1 and name  HB#)   (resid   2 and name  HD#)   2.555    0.755    0.755  
assign (resid   1 and name   HG)   (resid   2 and name  HD#)   3.015    1.215    1.215  
assign (resid   2 and name   HA)   (resid   3 and name  HG#)   3.150    1.350    1.350  
assign (resid   2 and name  HG#)   (resid   3 and name   HN)   3.215    1.415    1.415  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.650    0.850    0.850  
assign (resid   3 and name   HA)   (resid   3 and name  HG#)   2.560    0.760    0.760  
assign (resid   3 and name   HA)   (resid   3 and name  HD#)   3.240    1.440    1.440  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.975    1.175    1.175  
assign (resid   3 and name  HB#)   (resid   4 and name   HA)   3.160    1.360    1.360  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.460    0.660    0.660  
assign (resid   4 and name  HB#)   (resid   5 and name   HN)   2.685    0.885    0.885  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.545    0.745    0.745  
assign (resid   5 and name  HB#)   (resid   6 and name   HN)   3.110    1.310    1.310  
assign (resid   6 and name   HN)   (resid   6 and name  HB#)   2.615    0.815    0.815  
assign (resid   6 and name  HB#)   (resid   7 and name  HG#)   3.420    1.620    1.620  
assign (resid   6 and name  HB#)   (resid  16 and name  HB2)   3.265    1.465    1.465  
assign (resid   6 and name  HB#)   (resid  16 and name  HB1)   2.890    1.090    1.090  
assign (resid   6 and name  HB#)   (resid  16 and name   HG)   3.570    1.770    1.770  
assign (resid   7 and name  HG#)   (resid   8 and name   HN)   2.790    0.990    0.990  
assign (resid   8 and name   HN)   (resid   8 and name  HB#)   2.690    0.890    0.890  
assign (resid   8 and name  HB#)   (resid   9 and name   HN)   2.790    0.990    0.990  
assign (resid   8 and name  HB#)   (resid  30 and name   HN)   3.450    1.650    1.650  
assign (resid   9 and name  HB#)   (resid  10 and name   HN)   2.530    0.730    0.730  
assign (resid   9 and name  HB#)   (resid  14 and name   HA)   3.335    1.535    1.535  
assign (resid   9 and name  HB#)   (resid  16 and name  HB2)   3.270    1.470    1.470  
assign (resid   9 and name  HB#)   (resid  30 and name   HN)   3.300    1.500    1.500  
assign (resid   9 and name  HB#)   (resid  30 and name  HA1)   3.570    1.770    1.770  
assign (resid  10 and name   HN)   (resid  10 and name  HB#)   2.750    0.950    0.950  
assign (resid  10 and name  HB#)   (resid  11 and name   HN)   2.410    0.610    0.610  
assign (resid  10 and name  HB#)   (resid  11 and name  HB#)   3.240    1.440    1.440  
assign (resid  10 and name  HB#)   (resid  12 and name   HN)   2.810    1.010    1.010  
assign (resid  10 and name  HB#)   (resid  12 and name  HD#)   2.830    1.030    1.030  
assign (resid  10 and name  HB#)   (resid  13 and name   HN)   3.130    1.330    1.330  
assign (resid  10 and name  HB#)   (resid  13 and name  HB2)   2.855    1.055    1.055  
assign (resid  10 and name  HB#)   (resid  30 and name   HN)   3.395    1.595    1.595  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.300    0.500    0.500  
assign (resid  11 and name   HN)   (resid  11 and name  HD#)   2.725    0.925    0.925  
assign (resid  11 and name   HN)   (resid  12 and name  HB#)   3.445    1.645    1.645  
assign (resid  11 and name   HA)   (resid  11 and name  HD#)   2.620    0.820    0.820  
assign (resid  11 and name   HA)   (resid  25 and name  HG#)   3.080    1.280    1.280  
assign (resid  11 and name  HB#)   (resid  12 and name  HD#)   3.420    1.620    1.620  
assign (resid  11 and name  HB#)   (resid  28 and name   HA)   3.275    1.475    1.475  
assign (resid  11 and name  HD#)   (resid  12 and name   HN)   3.280    1.480    1.480  
assign (resid  11 and name  HD#)   (resid  12 and name  HD#)   3.145    1.345    1.345  
assign (resid  12 and name   HN)   (resid  12 and name  HB#)   2.455    0.655    0.655  
assign (resid  12 and name  HB#)   (resid  13 and name   HN)   2.700    0.900    0.900  
assign (resid  12 and name  HB#)   (resid  13 and name   HA)   3.295    1.495    1.495  
assign (resid  13 and name   HN)   (resid  13 and name  HG#)   3.065    1.265    1.265  
assign (resid  13 and name   HA)   (resid  13 and name  HG#)   2.740    0.940    0.940  
assign (resid  13 and name   HA)   (resid  13 and name  HD#)   2.680    0.880    0.880  
assign (resid  14 and name   HN)   (resid  15 and name  HA#)   3.065    1.265    1.265  
assign (resid  14 and name HG11)   (resid  15 and name  HA#)   3.275    1.475    1.475  
assign (resid  15 and name  HA#)   (resid  17 and name   HN)   3.235    1.435    1.435  
assign (resid  18 and name  HA#)   (resid  19 and name   HN)   2.320    0.520    0.520  
assign (resid  18 and name  HA#)   (resid  19 and name  HB1)   3.195    1.395    1.395  
assign (resid  20 and name   HN)   (resid  20 and name  HG#)   2.435    0.635    0.635  
assign (resid  20 and name   HA)   (resid  20 and name  HD#)   2.890    1.090    1.090  
assign (resid  22 and name   HN)   (resid  32 and name  HB#)   3.570    1.770    1.770  
assign (resid  22 and name   HA)   (resid  23 and name  HB#)   3.210    1.410    1.410  
assign (resid  23 and name   HN)   (resid  23 and name  HB#)   2.645    0.845    0.845  
assign (resid  23 and name   HA)   (resid  24 and name  HG*)   3.215    1.415    1.415  
assign (resid  23 and name  HB#)   (resid  24 and name   HN)   3.060    1.260    1.260  
assign (resid  23 and name  HB#)   (resid  30 and name   HN)   3.275    1.475    1.475  
assign (resid  23 and name  HB#)   (resid  30 and name  HA2)   3.570    1.770    1.770  
assign (resid  23 and name  HB#)   (resid  30 and name  HA1)   3.135    1.335    1.335  
assign (resid  24 and name   HN)   (resid  24 and name  HG*)   2.445    0.645    0.645  
assign (resid  24 and name   HN)   (resid  25 and name  HD#)   3.105    1.305    1.305  
assign (resid  24 and name   HN)   (resid  31 and name  HB#)   3.555    1.755    1.755  
assign (resid  25 and name  HG#)   (resid  30 and name  HA1)   3.575    1.775    1.775  
assign (resid  26 and name   HA)   (resid  26 and name  HD#)   2.820    1.020    1.020  
assign (resid  26 and name  HD#)   (resid  30 and name  HA2)   2.935    1.135    1.135  
assign (resid  28 and name   HN)   (resid  28 and name HG1#)   2.670    0.870    0.870  
assign (resid  28 and name   HA)   (resid  28 and name HG1#)   2.570    0.770    0.770  
assign (resid  29 and name   HN)   (resid  29 and name  HB#)   2.520    0.720    0.720  
assign (resid  29 and name  HB#)   (resid  30 and name   HN)   2.735    0.935    0.935  
assign (resid  29 and name  HB#)   (resid  30 and name  HA2)   3.220    1.420    1.420  
assign (resid  30 and name  HA2)   (resid  31 and name  HD#)   3.130    1.330    1.330  
assign (resid  31 and name   HN)   (resid  31 and name  HB#)   2.705    0.905    0.905  
assign (resid  31 and name  HB#)   (resid  32 and name   HN)   2.730    0.930    0.930  
assign (resid  31 and name  HD#)   (resid  32 and name   HN)   2.710    0.910    0.910  
assign (resid  32 and name   HN)   (resid  32 and name  HB#)   2.500    0.700    0.700  
assign (resid  32 and name  HB#)   (resid  33 and name   HN)   2.930    1.130    1.130  
assign (resid  33 and name   HN)   (resid  34 and name  HD#)   3.330    1.530    1.530  
assign (resid  33 and name   HA)   (resid  34 and name  HD#)   2.180    0.380    0.380  
assign (resid  34 and name  HB#)   (resid  35 and name   HN)   2.650    0.850    0.850  
assign (resid  35 and name   HN)   (resid  35 and name  HB#)   2.390    0.590    0.590  
assign (resid  35 and name   HN)   (resid  36 and name  HG*)   3.310    1.510    1.510  
assign (resid  35 and name  HB#)   (resid  36 and name   HN)   2.695    0.895    0.895  
assign (resid  35 and name  HB#)   (resid  36 and name   HA)   3.005    1.205    1.205  
assign (resid  36 and name   HN)   (resid  36 and name  HG*)   2.825    1.025    1.025  
!dihedral restraints
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -100.0   80.0 2
assign (resid 4     and name C    ) (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    )    1.0   60.0   30.0 2
assign (resid 5     and name N    ) (resid 5     and name CA   ) (resid 5     and name C    ) (resid 6     and name N    )    1.0   40.0   40.0 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -95.0   55.0 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  145.0   35.0 2
assign (resid 7     and name C    ) (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    )    1.0 -125.0   45.0 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  150.0   30.0 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -130.0   30.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  150.0   30.0 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -70.0   30.0 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  -20.0   30.0 2
assign (resid 12    and name C    ) (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    )    1.0  -100.0   40.0 2
assign (resid 13    and name N    ) (resid 13    and name CA   ) (resid 13    and name C    ) (resid 14    and name N    )    1.0  120.0   40.0 2
assign (resid 16    and name C    ) (resid 17    and name N    ) (resid 17    and name CA   ) (resid 17    and name C    )    1.0 -100.0   80.0 2
assign (resid 18    and name C    ) (resid 19    and name N    ) (resid 19    and name CA   ) (resid 19    and name C    )    1.0   60.0   30.0 2
assign (resid 19    and name C    ) (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    )    1.0  -80.0   40.0 2
assign (resid 20    and name N    ) (resid 20    and name CA   ) (resid 20    and name C    ) (resid 21    and name N    )    1.0   -20.0   35.0 2
assign (resid 20    and name C    ) (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    )    1.0 -140.0   30.0 2
assign (resid 21    and name N    ) (resid 21    and name CA   ) (resid 21    and name C    ) (resid 22    and name N    )    1.0  150.0   30.0 2
assign (resid 21    and name C    ) (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    )    1.0 -120.0   30.0 2
assign (resid 22    and name N    ) (resid 22    and name CA   ) (resid 22    and name C    ) (resid 23    and name N    )    1.0  130.0   30.0 2
assign (resid 22    and name C    ) (resid 23    and name N    ) (resid 23    and name CA   ) (resid 23    and name C    )    1.0  -100.0   30.0 2
assign (resid 23    and name C    ) (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    )    1.0 -100.0   30.0 2
assign (resid 24    and name N    ) (resid 24    and name CA   ) (resid 24    and name C    ) (resid 25    and name N    )    1.0  130.0   40.0 2
assign (resid 25    and name C    ) (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    )    1.0 -100.0   60.0 2
assign (resid 26    and name N    ) (resid 26    and name CA   ) (resid 26    and name C    ) (resid 27    and name N    )    1.0  120.0   30.0 2
assign (resid 27    and name C    ) (resid 28    and name N    ) (resid 28    and name CA   ) (resid 28    and name C    )    1.0 -100.0   40.0 2
assign (resid 30    and name C    ) (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    )    1.0 -115.0   35.0 2
assign (resid 31    and name N    ) (resid 31    and name CA   ) (resid 31    and name C    ) (resid 32    and name N    )    1.0  130.0   35.0 2
assign (resid 31    and name C    ) (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    )    1.0  -80.0   40.0 2
assign (resid 32    and name N    ) (resid 32    and name CA   ) (resid 32    and name C    ) (resid 33    and name N    )    1.0  130.0   30.0 2
assign (resid 32    and name C    ) (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    )    1.0 -115.0   35.0 2
assign (resid 33    and name N    ) (resid 33    and name CA   ) (resid 33    and name C    ) (resid 34    and name N    )    1.0  120.0   30.0 2
assign (resid 34    and name C    ) (resid 35    and name N    ) (resid 35    and name CA   ) (resid 35    and name C    )    1.0 -100.0   80.0 2
!hbond restraints
assign (resid 22    and name HN   ) (resid 33    and name O    )    0    0    2
assign (resid 22    and name N    ) (resid 33    and name O    )    0    0    3
assign (resid 33    and name HN   ) (resid 22    and name O    )    0    0    2
assign (resid 33    and name N    ) (resid 22    and name O    )    0    0    3
assign (resid 24    and name HN   ) (resid 31    and name O    )    0    0    2
assign (resid 24    and name N    ) (resid 31    and name O    )    0    0    3
assign (resid 9    and name HN   ) (resid 30    and name O    )    0    0    2
assign (resid 9    and name N    ) (resid 30    and name O    )    0    0    3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LEU   1          1HT       LEU   1  16.652   7.438  -0.895
    2    H2   LEU   1          2HT       LEU   1  15.967   6.645   0.442
    3    H3   LEU   1          3HT       LEU   1  16.116   8.314   0.448
    4    HA   LEU   1           HA       LEU   1  14.532   8.538  -1.283
    5    HB2  LEU   1          2HB       LEU   1  14.377   5.524  -1.077
    6    HB3  LEU   1          1HB       LEU   1  13.213   6.519  -1.919
    7    HG   LEU   1           HG       LEU   1  16.124   6.337  -2.648
    8   HD11  LEU   1          1HD1      LEU   1  15.351   4.973  -4.537
    9   HD12  LEU   1          2HD1      LEU   1  13.708   5.025  -3.902
   10   HD13  LEU   1          3HD1      LEU   1  14.978   4.199  -2.998
   11   HD21  LEU   1          1HD2      LEU   1  15.085   8.439  -3.321
   12   HD22  LEU   1          2HD2      LEU   1  13.763   7.555  -4.085
   13   HD23  LEU   1          3HD2      LEU   1  15.400   7.421  -4.725
   14    HA   PRO   2           HA       PRO   2  11.760   8.857   2.162
   15    HB2  PRO   2          2HB       PRO   2   9.444   9.328   0.783
   16    HB3  PRO   2          1HB       PRO   2  10.666  10.572   1.057
   17    HG2  PRO   2          2HG       PRO   2  10.193   8.881  -1.360
   18    HG3  PRO   2          1HG       PRO   2  10.566  10.613  -1.260
   19    HD2  PRO   2          2HD       PRO   2  12.455   8.790  -1.878
   20    HD3  PRO   2          1HD       PRO   2  12.825  10.228  -0.906
   21    H    ARG   3           H        ARG   3  10.014   7.707   3.142
   22    HA   ARG   3           HA       ARG   3   9.647   5.075   1.880
   23    HB2  ARG   3          2HB       ARG   3   9.712   5.573   4.856
   24    HB3  ARG   3          1HB       ARG   3   9.742   4.039   4.007
   25    HG2  ARG   3          2HG       ARG   3  11.950   6.070   4.184
   26    HG3  ARG   3          1HG       ARG   3  11.906   4.469   4.911
   27    HD2  ARG   3          2HD       ARG   3  11.995   5.113   1.966
   28    HD3  ARG   3          1HD       ARG   3  13.334   4.521   2.934
   29    HE   ARG   3           HE       ARG   3  11.806   2.515   3.279
   30   HH11  ARG   3          1HH1      ARG   3  11.631   4.488   0.315
   31   HH12  ARG   3          2HH1      ARG   3  11.544   3.142  -0.735
   32   HH21  ARG   3          1HH2      ARG   3  11.631   0.671   1.775
   33   HH22  ARG   3          2HH2      ARG   3  11.558   1.000   0.092
   34    H    CYS   4           H        CYS   4   7.607   4.227   1.987
   35    HA   CYS   4           HA       CYS   4   5.509   6.009   2.949
   36    HB2  CYS   4          2HB       CYS   4   5.116   3.270   1.734
   37    HB3  CYS   4          1HB       CYS   4   3.969   4.602   1.796
   38    H    ASP   5           H        ASP   5   6.243   2.508   3.158
   39    HA   ASP   5           HA       ASP   5   5.846   0.939   4.682
   40    HB2  ASP   5          2HB       ASP   5   6.953   3.155   6.397
   41    HB3  ASP   5          1HB       ASP   5   6.494   1.611   7.109
   42    H    SER   6           H        SER   6   3.597   2.518   3.927
   43    HA   SER   6           HA       SER   6   1.848   3.215   5.883
   44    HB2  SER   6          2HB       SER   6   1.214   1.772   3.312
   45    HB3  SER   6          1HB       SER   6   0.231   2.989   4.140
   46    HG   SER   6           HG       SER   6   1.237   4.147   2.640
   47    HA   PRO   7           HA       PRO   7   1.582  -0.665   8.014
   48    HB2  PRO   7          2HB       PRO   7  -0.568  -0.082   9.596
   49    HB3  PRO   7          1HB       PRO   7   1.071   0.497   9.907
   50    HG2  PRO   7          2HG       PRO   7  -1.231   1.912   8.629
   51    HG3  PRO   7          1HG       PRO   7  -0.037   2.527   9.782
   52    HD2  PRO   7          2HD       PRO   7   0.091   3.034   7.128
   53    HD3  PRO   7          1HD       PRO   7   1.545   2.878   8.142
   54    H    PHE   8           H        PHE   8  -1.125   0.609   6.249
   55    HA   PHE   8           HA       PHE   8  -2.002  -2.046   5.637
   56    HB2  PHE   8          2HB       PHE   8  -4.369  -1.587   6.271
   57    HB3  PHE   8          1HB       PHE   8  -3.306  -1.627   7.670
   58    HD1  PHE   8          1HD       PHE   8  -5.448   0.460   5.573
   59    HD2  PHE   8          2HD       PHE   8  -2.823   0.412   8.918
   60    HE1  PHE   8          1HE       PHE   8  -6.259   2.666   6.236
   61    HE2  PHE   8          2HE       PHE   8  -3.630   2.634   9.589
   62    HZ   PHE   8           HZ       PHE   8  -5.350   3.768   8.251
   63    H    CYS   9           H        CYS   9  -3.784  -1.895   3.997
   64    HA   CYS   9           HA       CYS   9  -4.343   0.525   2.664
   65    HB2  CYS   9          2HB       CYS   9  -1.979   0.005   1.879
   66    HB3  CYS   9          1HB       CYS   9  -2.603  -1.498   1.211
   67    H    SER  10           H        SER  10  -5.744  -0.157   0.681
   68    HA   SER  10           HA       SER  10  -6.758  -2.869   0.851
   69    HB2  SER  10          2HB       SER  10  -8.552  -0.505   1.490
   70    HB3  SER  10          1HB       SER  10  -9.073  -2.181   1.330
   71    HG   SER  10           HG       SER  10  -7.064  -2.072   3.053
   72    H    LEU  11           H        LEU  11  -8.457  -3.207  -0.852
   73    HA   LEU  11           HA       LEU  11  -7.653  -1.905  -3.218
   74    HB2  LEU  11          2HB       LEU  11  -9.418  -3.263  -4.350
   75    HB3  LEU  11          1HB       LEU  11  -8.243  -4.127  -3.375
   76    HG   LEU  11           HG       LEU  11 -10.013  -4.308  -1.586
   77   HD11  LEU  11          1HD1      LEU  11 -11.842  -3.446  -3.811
   78   HD12  LEU  11          2HD1      LEU  11 -11.517  -2.556  -2.324
   79   HD13  LEU  11          3HD1      LEU  11 -12.341  -4.113  -2.257
   80   HD21  LEU  11          1HD2      LEU  11 -11.138  -6.170  -2.693
   81   HD22  LEU  11          2HD2      LEU  11  -9.399  -6.170  -2.982
   82   HD23  LEU  11          3HD2      LEU  11 -10.504  -5.622  -4.244
   83    H    PHE  12           H        PHE  12 -10.017  -1.195  -1.007
   84    HA   PHE  12           HA       PHE  12 -11.535   0.600  -2.722
   85    HB2  PHE  12          2HB       PHE  12 -11.513   0.436   0.305
   86    HB3  PHE  12          1HB       PHE  12 -12.617   1.415  -0.643
   87    HD1  PHE  12          1HD       PHE  12 -13.988   0.026  -2.452
   88    HD2  PHE  12          2HD       PHE  12 -12.244  -1.593   1.074
   89    HE1  PHE  12          1HE       PHE  12 -15.602  -1.821  -2.505
   90    HE2  PHE  12          2HE       PHE  12 -13.857  -3.450   1.012
   91    HZ   PHE  12           HZ       PHE  12 -15.533  -3.565  -0.772
   92    H    ARG  13           H        ARG  13  -8.888   0.839  -0.511
   93    HA   ARG  13           HA       ARG  13  -8.446   3.588  -1.345
   94    HB2  ARG  13          2HB       ARG  13  -8.440   2.553   1.476
   95    HB3  ARG  13          1HB       ARG  13  -7.517   3.968   1.008
   96    HG2  ARG  13          2HG       ARG  13 -10.503   3.643   0.812
   97    HG3  ARG  13          1HG       ARG  13  -9.622   4.615   1.998
   98    HD2  ARG  13          2HD       ARG  13  -8.619   5.838  -0.004
   99    HD3  ARG  13          1HD       ARG  13  -9.869   5.055  -0.963
  100    HE   ARG  13           HE       ARG  13 -11.098   6.230   1.198
  101   HH11  ARG  13          1HH1      ARG  13  -9.407   7.198  -1.755
  102   HH12  ARG  13          2HH1      ARG  13 -10.028   8.785  -1.773
  103   HH21  ARG  13          1HH2      ARG  13 -11.929   8.420   1.207
  104   HH22  ARG  13          2HH2      ARG  13 -11.504   9.502  -0.035
  105    H    ILE  14           H        ILE  14  -7.002   2.959  -2.756
  106    HA   ILE  14           HA       ILE  14  -4.672   1.485  -1.815
  107    HB   ILE  14           HB       ILE  14  -3.884   1.605  -4.171
  108   HG12  ILE  14          2HG1      ILE  14  -6.544   2.969  -4.697
  109   HG13  ILE  14          1HG1      ILE  14  -4.966   3.739  -4.791
  110   HG21  ILE  14          1HG2      ILE  14  -6.681   0.533  -3.828
  111   HG22  ILE  14          2HG2      ILE  14  -5.182  -0.313  -3.453
  112   HG23  ILE  14          3HG2      ILE  14  -5.574   0.090  -5.125
  113   HD11  ILE  14          1HD1      ILE  14  -5.844   3.180  -6.990
  114   HD12  ILE  14          2HD1      ILE  14  -5.929   1.480  -6.518
  115   HD13  ILE  14          3HD1      ILE  14  -4.363   2.282  -6.645
  116    H    GLY  15           H        GLY  15  -5.762   4.554  -1.828
  117    HA2  GLY  15          2HA       GLY  15  -3.479   6.050  -2.591
  118    HA3  GLY  15          1HA       GLY  15  -4.857   6.652  -1.694
  119    H    LEU  16           H        LEU  16  -3.846   4.075   0.014
  120    HA   LEU  16           HA       LEU  16  -2.446   5.576   1.987
  121    HB2  LEU  16          2HB       LEU  16  -2.871   2.609   1.625
  122    HB3  LEU  16          1HB       LEU  16  -1.842   3.228   2.892
  123    HG   LEU  16           HG       LEU  16  -3.993   2.624   3.787
  124   HD11  LEU  16          1HD1      LEU  16  -4.638   4.701   4.873
  125   HD12  LEU  16          2HD1      LEU  16  -3.639   5.601   3.736
  126   HD13  LEU  16          3HD1      LEU  16  -2.897   4.449   4.846
  127   HD21  LEU  16          1HD2      LEU  16  -6.057   3.780   3.155
  128   HD22  LEU  16          2HD2      LEU  16  -5.378   2.872   1.804
  129   HD23  LEU  16          3HD2      LEU  16  -5.187   4.623   1.874
  130    H    CYS  17           H        CYS  17  -1.550   3.870  -0.852
  131    HA   CYS  17           HA       CYS  17   1.254   4.505  -0.312
  132    HB2  CYS  17          2HB       CYS  17   0.350   2.108  -1.906
  133    HB3  CYS  17          1HB       CYS  17   1.964   2.487  -1.348
  134    H    GLY  18           H        GLY  18   0.888   6.425  -1.480
  135    HA2  GLY  18          2HA       GLY  18   0.092   6.025  -4.271
  136    HA3  GLY  18          1HA       GLY  18  -0.123   7.513  -3.362
  137    H    ASP  19           H        ASP  19   1.453   6.378  -5.804
  138    HA   ASP  19           HA       ASP  19   2.940   7.296  -7.145
  139    HB2  ASP  19          2HB       ASP  19   2.326   9.363  -6.320
  140    HB3  ASP  19          1HB       ASP  19   3.327   9.217  -4.886
  141    H    LYS  20           H        LYS  20   3.865   6.326  -4.094
  142    HA   LYS  20           HA       LYS  20   6.618   5.999  -5.077
  143    HB2  LYS  20          2HB       LYS  20   5.858   6.442  -2.208
  144    HB3  LYS  20          1HB       LYS  20   7.488   6.363  -2.879
  145    HG2  LYS  20          2HG       LYS  20   6.896   8.294  -4.338
  146    HG3  LYS  20          1HG       LYS  20   5.390   8.429  -3.453
  147    HD2  LYS  20          2HD       LYS  20   6.716   8.701  -1.386
  148    HD3  LYS  20          1HD       LYS  20   8.174   8.762  -2.380
  149    HE2  LYS  20          2HE       LYS  20   5.840  10.680  -2.449
  150    HE3  LYS  20          1HE       LYS  20   7.495  11.018  -1.962
  151    HZ1  LYS  20          1HZ       LYS  20   8.188  10.573  -4.268
  152    HZ2  LYS  20          2HZ       LYS  20   7.101  11.849  -4.170
  153    HZ3  LYS  20          3HZ       LYS  20   6.572  10.360  -4.725
  154    H    CYS  21           H        CYS  21   4.138   4.402  -3.122
  155    HA   CYS  21           HA       CYS  21   5.701   1.955  -3.476
  156    HB2  CYS  21          2HB       CYS  21   4.039   2.581  -1.012
  157    HB3  CYS  21          1HB       CYS  21   5.091   1.211  -1.279
  158    H    THR  22           H        THR  22   4.023   0.003  -2.976
  159    HA   THR  22           HA       THR  22   1.435   0.750  -4.077
  160    HB   THR  22           HB       THR  22   3.192  -1.469  -5.196
  161    HG1  THR  22          1HG       THR  22   3.118   1.160  -5.667
  162   HG21  THR  22          1HG2      THR  22   0.764  -1.919  -5.376
  163   HG22  THR  22          2HG2      THR  22   1.474  -1.615  -6.960
  164   HG23  THR  22          3HG2      THR  22   0.535  -0.355  -6.155
  165    H    CYS  23           H        CYS  23  -0.212  -0.608  -3.274
  166    HA   CYS  23           HA       CYS  23   0.754  -2.578  -1.364
  167    HB2  CYS  23          2HB       CYS  23  -1.328  -2.325  -0.173
  168    HB3  CYS  23          1HB       CYS  23  -0.546  -0.760  -0.341
  169    H    VAL  24           H        VAL  24  -0.195  -4.542  -1.251
  170    HA   VAL  24           HA       VAL  24  -1.664  -5.316  -3.643
  171    HB   VAL  24           HB       VAL  24   0.493  -6.422  -3.580
  172   HG11  VAL  24          1HG1      VAL  24   1.209  -7.880  -1.749
  173   HG12  VAL  24          2HG1      VAL  24  -0.173  -7.339  -0.794
  174   HG13  VAL  24          3HG1      VAL  24   1.079  -6.189  -1.264
  175   HG21  VAL  24          1HG2      VAL  24  -1.674  -8.342  -2.732
  176   HG22  VAL  24          2HG2      VAL  24  -0.141  -8.809  -3.466
  177   HG23  VAL  24          3HG2      VAL  24  -1.291  -7.835  -4.379
  178    HA   PRO  25           HA       PRO  25  -4.774  -5.976  -0.423
  179    HB2  PRO  25          2HB       PRO  25  -6.745  -6.070  -2.531
  180    HB3  PRO  25          1HB       PRO  25  -6.508  -4.819  -1.314
  181    HG2  PRO  25          2HG       PRO  25  -6.022  -4.439  -3.988
  182    HG3  PRO  25          1HG       PRO  25  -5.223  -3.528  -2.696
  183    HD2  PRO  25          2HD       PRO  25  -4.214  -5.853  -4.284
  184    HD3  PRO  25          1HD       PRO  25  -3.369  -4.383  -3.741
  185    H    LEU  26           H        LEU  26  -5.098  -7.939   0.376
  186    HA   LEU  26           HA       LEU  26  -6.200  -9.978  -1.229
  187    HB2  LEU  26          2HB       LEU  26  -4.512 -11.695  -0.923
  188    HB3  LEU  26          1HB       LEU  26  -3.808 -10.329  -1.738
  189    HG   LEU  26           HG       LEU  26  -3.391 -10.994   1.182
  190   HD11  LEU  26          1HD1      LEU  26  -1.597 -11.469  -1.197
  191   HD12  LEU  26          2HD1      LEU  26  -2.429 -12.706  -0.258
  192   HD13  LEU  26          3HD1      LEU  26  -1.154 -11.742   0.487
  193   HD21  LEU  26          1HD2      LEU  26  -1.516  -9.424   1.066
  194   HD22  LEU  26          2HD2      LEU  26  -3.045  -8.622   0.696
  195   HD23  LEU  26          3HD2      LEU  26  -1.933  -9.047  -0.604
  196    HA   PRO  27           HA       PRO  27  -7.977 -10.601  -1.067
  197    HB2  PRO  27          2HB       PRO  27 -10.413 -10.306   0.449
  198    HB3  PRO  27          1HB       PRO  27  -9.857 -11.707  -0.470
  199    HG2  PRO  27          2HG       PRO  27 -10.059 -11.690   2.243
  200    HG3  PRO  27          1HG       PRO  27  -8.883 -12.681   1.366
  201    HD2  PRO  27          2HD       PRO  27  -8.470 -10.048   2.750
  202    HD3  PRO  27          1HD       PRO  27  -7.447 -11.498   2.750
  203    H    ILE  28           H        ILE  28  -9.499  -8.579   1.498
  204    HA   ILE  28           HA       ILE  28  -9.992  -6.506  -0.493
  205    HB   ILE  28           HB       ILE  28 -10.862  -6.661   2.412
  206   HG12  ILE  28          2HG1      ILE  28 -11.927  -8.417   1.083
  207   HG13  ILE  28          1HG1      ILE  28 -13.101  -7.189   1.532
  208   HG21  ILE  28          1HG2      ILE  28 -10.729  -4.368   1.680
  209   HG22  ILE  28          2HG2      ILE  28 -12.407  -4.859   1.901
  210   HG23  ILE  28          3HG2      ILE  28 -11.732  -4.737   0.276
  211   HD11  ILE  28          1HD1      ILE  28 -11.783  -7.507  -1.151
  212   HD12  ILE  28          2HD1      ILE  28 -12.930  -6.238  -0.724
  213   HD13  ILE  28          3HD1      ILE  28 -13.447  -7.925  -0.743
  214    H    PHE  29           H        PHE  29  -8.398  -6.918   2.621
  215    HA   PHE  29           HA       PHE  29  -7.095  -4.340   2.261
  216    HB2  PHE  29          2HB       PHE  29  -6.348  -4.550   4.596
  217    HB3  PHE  29          1HB       PHE  29  -8.087  -4.745   4.497
  218    HD1  PHE  29          1HD       PHE  29  -4.897  -6.380   5.262
  219    HD2  PHE  29          2HD       PHE  29  -9.116  -6.914   4.980
  220    HE1  PHE  29          1HE       PHE  29  -4.718  -8.475   6.543
  221    HE2  PHE  29          2HE       PHE  29  -8.937  -9.000   6.251
  222    HZ   PHE  29           HZ       PHE  29  -6.742  -9.788   7.038
  223    H    GLY  30           H        GLY  30  -4.719  -4.293   2.680
  224    HA2  GLY  30          2HA       GLY  30  -3.348  -6.798   2.354
  225    HA3  GLY  30          1HA       GLY  30  -3.306  -5.750   0.948
  226    H    LEU  31           H        LEU  31  -0.995  -6.174   1.725
  227    HA   LEU  31           HA       LEU  31  -0.264  -4.143   3.674
  228    HB2  LEU  31          2HB       LEU  31   1.936  -5.268   3.780
  229    HB3  LEU  31          1HB       LEU  31   0.616  -6.303   4.248
  230    HG   LEU  31           HG       LEU  31   0.794  -7.240   1.829
  231   HD11  LEU  31          1HD1      LEU  31   3.036  -7.164   0.856
  232   HD12  LEU  31          2HD1      LEU  31   3.526  -6.003   2.087
  233   HD13  LEU  31          3HD1      LEU  31   2.287  -5.569   0.912
  234   HD21  LEU  31          1HD2      LEU  31   2.491  -8.845   2.552
  235   HD22  LEU  31          2HD2      LEU  31   1.316  -8.512   3.823
  236   HD23  LEU  31          3HD2      LEU  31   2.919  -7.781   3.892
  237    H    CYS  32           H        CYS  32   1.706  -2.922   3.180
  238    HA   CYS  32           HA       CYS  32   1.548  -2.006   0.402
  239    HB2  CYS  32          2HB       CYS  32   0.964  -0.425   2.258
  240    HB3  CYS  32          1HB       CYS  32   2.635  -0.553   2.803
  241    H    VAL  33           H        VAL  33   3.350  -2.176  -0.849
  242    HA   VAL  33           HA       VAL  33   5.786  -2.855   0.560
  243    HB   VAL  33           HB       VAL  33   4.865  -4.889  -0.514
  244   HG11  VAL  33          1HG1      VAL  33   5.192  -3.426  -3.117
  245   HG12  VAL  33          2HG1      VAL  33   3.662  -3.909  -2.376
  246   HG13  VAL  33          3HG1      VAL  33   4.803  -5.136  -2.940
  247   HG21  VAL  33          1HG2      VAL  33   6.874  -5.576  -1.742
  248   HG22  VAL  33          2HG2      VAL  33   7.277  -4.691  -0.270
  249   HG23  VAL  33          3HG2      VAL  33   7.384  -3.891  -1.837
  250    HA   PRO  34           HA       PRO  34   7.314   0.398  -2.046
  251    HB2  PRO  34          2HB       PRO  34   9.647   0.744  -0.715
  252    HB3  PRO  34          1HB       PRO  34   8.120   1.385  -0.107
  253    HG2  PRO  34          2HG       PRO  34   9.697  -0.935   0.814
  254    HG3  PRO  34          1HG       PRO  34   8.591   0.101   1.728
  255    HD2  PRO  34          2HD       PRO  34   8.056  -2.476   0.673
  256    HD3  PRO  34          1HD       PRO  34   6.892  -1.348   1.393
  257    H    ASP  35           H        ASP  35   8.296  -0.050  -3.945
  258    HA   ASP  35           HA       ASP  35   9.803  -2.509  -4.205
  259    HB2  ASP  35          2HB       ASP  35   8.264  -1.728  -6.042
  260    HB3  ASP  35          1HB       ASP  35   9.379  -0.379  -6.292
  261    H    VAL  36           H        VAL  36  10.301   0.894  -4.106
  262    HA   VAL  36           HA       VAL  36  13.131   0.431  -4.146
  263    HB   VAL  36           HB       VAL  36  13.466   2.813  -4.879
  264   HG11  VAL  36          1HG1      VAL  36  12.855   2.464  -7.225
  265   HG12  VAL  36          2HG1      VAL  36  11.811   1.127  -6.743
  266   HG13  VAL  36          3HG1      VAL  36  13.555   1.016  -6.499
  267   HG21  VAL  36          1HG2      VAL  36  11.594   4.057  -5.873
  268   HG22  VAL  36          2HG2      VAL  36  11.315   3.760  -4.156
  269   HG23  VAL  36          3HG2      VAL  36  10.482   2.784  -5.368
  Start of MODEL    2
    1    H1   LEU   1          1HT       LEU   1  16.684   4.400  -0.233
    2    H2   LEU   1          2HT       LEU   1  15.692   4.995   1.028
    3    H3   LEU   1          3HT       LEU   1  15.546   5.614  -0.509
    4    HA   LEU   1           HA       LEU   1  14.670   3.607  -1.346
    5    HB2  LEU   1          2HB       LEU   1  16.091   2.249   0.324
    6    HB3  LEU   1          1HB       LEU   1  14.851   2.609   1.506
    7    HG   LEU   1           HG       LEU   1  14.290   1.034  -1.018
    8   HD11  LEU   1          1HD1      LEU   1  16.030  -0.096   0.280
    9   HD12  LEU   1          2HD1      LEU   1  14.499  -0.967   0.365
   10   HD13  LEU   1          3HD1      LEU   1  15.025   0.022   1.725
   11   HD21  LEU   1          1HD2      LEU   1  12.340   1.978   0.166
   12   HD22  LEU   1          2HD2      LEU   1  12.880   1.172   1.640
   13   HD23  LEU   1          3HD2      LEU   1  12.381   0.218   0.245
   14    HA   PRO   2           HA       PRO   2  11.147   6.034  -0.203
   15    HB2  PRO   2          2HB       PRO   2   9.218   4.558  -1.439
   16    HB3  PRO   2          1HB       PRO   2  10.313   5.637  -2.310
   17    HG2  PRO   2          2HG       PRO   2  10.468   2.669  -1.962
   18    HG3  PRO   2          1HG       PRO   2  10.765   3.643  -3.415
   19    HD2  PRO   2          2HD       PRO   2  12.798   2.685  -1.885
   20    HD3  PRO   2          1HD       PRO   2  12.901   4.250  -2.718
   21    H    ARG   3           H        ARG   3   9.706   6.159   1.341
   22    HA   ARG   3           HA       ARG   3   9.300   3.727   2.908
   23    HB2  ARG   3          2HB       ARG   3   8.821   6.566   3.781
   24    HB3  ARG   3          1HB       ARG   3   8.817   5.120   4.769
   25    HG2  ARG   3          2HG       ARG   3  11.227   4.851   4.295
   26    HG3  ARG   3          1HG       ARG   3  11.188   6.410   3.468
   27    HD2  ARG   3          2HD       ARG   3  10.756   5.794   6.364
   28    HD3  ARG   3          1HD       ARG   3  11.887   6.931   5.634
   29    HE   ARG   3           HE       ARG   3   8.977   7.370   5.536
   30   HH11  ARG   3          1HH1      ARG   3  12.199   8.684   6.226
   31   HH12  ARG   3          2HH1      ARG   3  11.581  10.163   6.803
   32   HH21  ARG   3          1HH2      ARG   3   8.186   9.261   6.373
   33   HH22  ARG   3          2HH2      ARG   3   9.231  10.534   6.880
   34    H    CYS   4           H        CYS   4   7.204   3.316   3.674
   35    HA   CYS   4           HA       CYS   4   5.215   4.120   1.768
   36    HB2  CYS   4          2HB       CYS   4   5.033   2.243   4.117
   37    HB3  CYS   4          1HB       CYS   4   3.830   2.418   2.836
   38    H    ASP   5           H        ASP   5   5.814   4.485   5.216
   39    HA   ASP   5           HA       ASP   5   5.114   5.919   6.794
   40    HB2  ASP   5          2HB       ASP   5   4.558   7.643   4.386
   41    HB3  ASP   5          1HB       ASP   5   4.389   8.229   6.038
   42    H    SER   6           H        SER   6   3.113   4.128   5.442
   43    HA   SER   6           HA       SER   6   0.762   5.237   6.734
   44    HB2  SER   6          2HB       SER   6   0.785   5.814   4.246
   45    HB3  SER   6          1HB       SER   6   0.719   4.087   3.928
   46    HG   SER   6           HG       SER   6  -1.254   5.054   3.834
   47    HA   PRO   7           HA       PRO   7   1.056   1.152   8.362
   48    HB2  PRO   7          2HB       PRO   7  -1.570   0.837   9.189
   49    HB3  PRO   7          1HB       PRO   7  -0.301   1.645  10.109
   50    HG2  PRO   7          2HG       PRO   7  -2.471   2.804   8.448
   51    HG3  PRO   7          1HG       PRO   7  -1.736   3.423   9.933
   52    HD2  PRO   7          2HD       PRO   7  -1.161   4.438   7.480
   53    HD3  PRO   7          1HD       PRO   7   0.003   4.418   8.806
   54    H    PHE   8           H        PHE   8  -2.013   1.536   6.571
   55    HA   PHE   8           HA       PHE   8  -1.448  -1.030   5.259
   56    HB2  PHE   8          2HB       PHE   8  -4.023  -0.428   6.707
   57    HB3  PHE   8          1HB       PHE   8  -3.809  -1.777   5.604
   58    HD1  PHE   8          1HD       PHE   8  -2.026  -3.509   6.206
   59    HD2  PHE   8          2HD       PHE   8  -3.508  -0.613   8.946
   60    HE1  PHE   8          1HE       PHE   8  -1.249  -4.889   8.091
   61    HE2  PHE   8          2HE       PHE   8  -2.727  -1.981  10.823
   62    HZ   PHE   8           HZ       PHE   8  -1.604  -4.111  10.405
   63    H    CYS   9           H        CYS   9  -3.415  -1.516   3.723
   64    HA   CYS   9           HA       CYS   9  -4.605   0.709   2.418
   65    HB2  CYS   9          2HB       CYS   9  -2.320   0.762   1.464
   66    HB3  CYS   9          1HB       CYS   9  -2.431  -0.961   1.131
   67    H    SER  10           H        SER  10  -5.915  -0.350   0.512
   68    HA   SER  10           HA       SER  10  -6.329  -3.196   0.655
   69    HB2  SER  10          2HB       SER  10  -8.714  -3.006   1.356
   70    HB3  SER  10          1HB       SER  10  -7.594  -2.519   2.631
   71    HG   SER  10           HG       SER  10  -8.212  -0.553   2.487
   72    H    LEU  11           H        LEU  11  -8.322  -3.731  -0.779
   73    HA   LEU  11           HA       LEU  11  -8.216  -2.538  -3.306
   74    HB2  LEU  11          2HB       LEU  11 -10.471  -4.013  -1.967
   75    HB3  LEU  11          1HB       LEU  11 -10.517  -3.517  -3.641
   76    HG   LEU  11           HG       LEU  11  -8.501  -5.430  -2.481
   77   HD11  LEU  11          1HD1      LEU  11 -10.799  -6.319  -2.424
   78   HD12  LEU  11          2HD1      LEU  11  -9.815  -7.147  -3.629
   79   HD13  LEU  11          3HD1      LEU  11 -10.986  -5.930  -4.135
   80   HD21  LEU  11          1HD2      LEU  11  -7.755  -4.183  -4.486
   81   HD22  LEU  11          2HD2      LEU  11  -9.196  -4.730  -5.339
   82   HD23  LEU  11          3HD2      LEU  11  -7.985  -5.898  -4.813
   83    H    PHE  12           H        PHE  12 -10.191  -1.882  -0.536
   84    HA   PHE  12           HA       PHE  12 -11.956  -0.008  -1.722
   85    HB2  PHE  12          2HB       PHE  12 -11.170  -0.471   1.163
   86    HB3  PHE  12          1HB       PHE  12 -12.470   0.583   0.648
   87    HD1  PHE  12          1HD       PHE  12 -11.390  -2.894   1.090
   88    HD2  PHE  12          2HD       PHE  12 -14.566  -0.327  -0.125
   89    HE1  PHE  12          1HE       PHE  12 -12.970  -4.777   1.228
   90    HE2  PHE  12          2HE       PHE  12 -16.138  -2.209   0.007
   91    HZ   PHE  12           HZ       PHE  12 -15.343  -4.434   0.682
   92    H    ARG  13           H        ARG  13  -9.191   0.254   0.446
   93    HA   ARG  13           HA       ARG  13  -9.007   3.084  -0.238
   94    HB2  ARG  13          2HB       ARG  13  -8.200   1.614   2.257
   95    HB3  ARG  13          1HB       ARG  13  -7.909   3.326   1.947
   96    HG2  ARG  13          2HG       ARG  13 -10.607   2.030   2.094
   97    HG3  ARG  13          1HG       ARG  13  -9.845   2.981   3.376
   98    HD2  ARG  13          2HD       ARG  13  -9.791   4.920   1.946
   99    HD3  ARG  13          1HD       ARG  13 -10.482   3.999   0.610
  100    HE   ARG  13           HE       ARG  13 -12.230   3.705   2.641
  101   HH11  ARG  13          1HH1      ARG  13 -10.834   6.456   0.915
  102   HH12  ARG  13          2HH1      ARG  13 -12.213   7.444   1.108
  103   HH21  ARG  13          1HH2      ARG  13 -14.128   5.050   2.857
  104   HH22  ARG  13          2HH2      ARG  13 -14.101   6.632   2.242
  105    H    ILE  14           H        ILE  14  -7.817   2.894  -1.965
  106    HA   ILE  14           HA       ILE  14  -5.207   1.578  -1.828
  107    HB   ILE  14           HB       ILE  14  -5.175   2.132  -4.329
  108   HG12  ILE  14          2HG1      ILE  14  -8.094   2.683  -3.742
  109   HG13  ILE  14          1HG1      ILE  14  -6.910   3.817  -4.381
  110   HG21  ILE  14          1HG2      ILE  14  -6.567   0.213  -4.906
  111   HG22  ILE  14          2HG2      ILE  14  -7.230   0.215  -3.272
  112   HG23  ILE  14          3HG2      ILE  14  -5.514  -0.110  -3.529
  113   HD11  ILE  14          1HD1      ILE  14  -6.788   2.508  -6.437
  114   HD12  ILE  14          2HD1      ILE  14  -8.440   3.024  -6.095
  115   HD13  ILE  14          3HD1      ILE  14  -7.950   1.364  -5.772
  116    H    GLY  15           H        GLY  15  -6.561   4.597  -1.461
  117    HA2  GLY  15          2HA       GLY  15  -4.384   6.123  -2.600
  118    HA3  GLY  15          1HA       GLY  15  -5.763   6.758  -1.715
  119    H    LEU  16           H        LEU  16  -4.380   4.279  -0.026
  120    HA   LEU  16           HA       LEU  16  -3.310   6.137   1.877
  121    HB2  LEU  16          2HB       LEU  16  -3.724   3.184   1.948
  122    HB3  LEU  16          1HB       LEU  16  -2.707   3.955   3.142
  123    HG   LEU  16           HG       LEU  16  -4.947   3.576   4.007
  124   HD11  LEU  16          1HD1      LEU  16  -4.454   6.516   3.524
  125   HD12  LEU  16          2HD1      LEU  16  -3.693   5.541   4.776
  126   HD13  LEU  16          3HD1      LEU  16  -5.436   5.810   4.809
  127   HD21  LEU  16          1HD2      LEU  16  -5.905   5.455   1.869
  128   HD22  LEU  16          2HD2      LEU  16  -6.890   4.663   3.110
  129   HD23  LEU  16          3HD2      LEU  16  -6.079   3.708   1.846
  130    H    CYS  17           H        CYS  17  -2.013   3.878  -0.427
  131    HA   CYS  17           HA       CYS  17   0.542   5.125   0.129
  132    HB2  CYS  17          2HB       CYS  17   0.293   2.167  -0.464
  133    HB3  CYS  17          1HB       CYS  17   1.749   3.066  -0.261
  134    H    GLY  18           H        GLY  18   0.853   6.291  -1.497
  135    HA2  GLY  18          2HA       GLY  18   1.002   5.021  -4.093
  136    HA3  GLY  18          1HA       GLY  18   0.041   6.502  -3.928
  137    H    ASP  19           H        ASP  19   2.411   6.257  -5.489
  138    HA   ASP  19           HA       ASP  19   4.002   7.643  -6.141
  139    HB2  ASP  19          2HB       ASP  19   2.835   9.395  -5.195
  140    HB3  ASP  19          1HB       ASP  19   3.384   9.061  -3.566
  141    H    LYS  20           H        LYS  20   4.124   6.410  -3.056
  142    HA   LYS  20           HA       LYS  20   7.059   6.209  -3.105
  143    HB2  LYS  20          2HB       LYS  20   5.223   6.256  -0.732
  144    HB3  LYS  20          1HB       LYS  20   6.987   6.198  -0.679
  145    HG2  LYS  20          2HG       LYS  20   7.083   8.307  -1.890
  146    HG3  LYS  20          1HG       LYS  20   5.344   8.354  -1.930
  147    HD2  LYS  20          2HD       LYS  20   5.213   8.436   0.461
  148    HD3  LYS  20          1HD       LYS  20   6.973   8.369   0.593
  149    HE2  LYS  20          2HE       LYS  20   6.080  10.694   0.794
  150    HE3  LYS  20          1HE       LYS  20   7.205  10.475  -0.546
  151    HZ1  LYS  20          1HZ       LYS  20   5.236  11.789  -1.145
  152    HZ2  LYS  20          2HZ       LYS  20   4.238  10.504  -0.834
  153    HZ3  LYS  20          3HZ       LYS  20   5.364  10.417  -2.091
  154    H    CYS  21           H        CYS  21   4.148   4.357  -1.935
  155    HA   CYS  21           HA       CYS  21   5.661   1.958  -2.595
  156    HB2  CYS  21          2HB       CYS  21   3.892   2.368  -0.199
  157    HB3  CYS  21          1HB       CYS  21   4.587   0.846  -0.712
  158    H    THR  22           H        THR  22   4.406   0.412  -3.495
  159    HA   THR  22           HA       THR  22   1.705   1.235  -4.058
  160    HB   THR  22           HB       THR  22   3.372  -1.001  -5.287
  161    HG1  THR  22          1HG       THR  22   4.292   0.792  -6.008
  162   HG21  THR  22          1HG2      THR  22   0.929  -1.370  -5.500
  163   HG22  THR  22          2HG2      THR  22   1.679  -1.046  -7.064
  164   HG23  THR  22          3HG2      THR  22   0.765   0.221  -6.248
  165    H    CYS  23           H        CYS  23  -0.017  -0.089  -3.353
  166    HA   CYS  23           HA       CYS  23   0.804  -2.121  -1.447
  167    HB2  CYS  23          2HB       CYS  23  -1.586  -1.701  -0.557
  168    HB3  CYS  23          1HB       CYS  23  -0.302  -0.562  -0.164
  169    H    VAL  24           H        VAL  24   0.247  -4.127  -1.659
  170    HA   VAL  24           HA       VAL  24  -1.437  -4.831  -3.959
  171    HB   VAL  24           HB       VAL  24   0.591  -6.547  -2.492
  172   HG11  VAL  24          1HG1      VAL  24  -0.873  -7.043  -5.077
  173   HG12  VAL  24          2HG1      VAL  24  -1.153  -7.868  -3.545
  174   HG13  VAL  24          3HG1      VAL  24   0.381  -8.077  -4.392
  175   HG21  VAL  24          1HG2      VAL  24   1.715  -4.726  -3.647
  176   HG22  VAL  24          2HG2      VAL  24   0.852  -5.113  -5.134
  177   HG23  VAL  24          3HG2      VAL  24   2.026  -6.254  -4.473
  178    HA   PRO  25           HA       PRO  25  -4.239  -6.039  -0.554
  179    HB2  PRO  25          2HB       PRO  25  -6.084  -6.473  -2.814
  180    HB3  PRO  25          1HB       PRO  25  -6.275  -5.436  -1.397
  181    HG2  PRO  25          2HG       PRO  25  -5.847  -4.381  -3.813
  182    HG3  PRO  25          1HG       PRO  25  -5.106  -3.677  -2.362
  183    HD2  PRO  25          2HD       PRO  25  -3.900  -5.504  -4.408
  184    HD3  PRO  25          1HD       PRO  25  -3.243  -4.013  -3.686
  185    H    LEU  26           H        LEU  26  -4.290  -8.047   0.263
  186    HA   LEU  26           HA       LEU  26  -4.557 -10.242  -1.602
  187    HB2  LEU  26          2HB       LEU  26  -2.927 -11.620  -0.442
  188    HB3  LEU  26          1HB       LEU  26  -2.191 -10.173  -1.076
  189    HG   LEU  26           HG       LEU  26  -2.897 -10.590   1.836
  190   HD11  LEU  26          1HD1      LEU  26  -0.268 -10.961   0.412
  191   HD12  LEU  26          2HD1      LEU  26  -1.253 -12.226   1.145
  192   HD13  LEU  26          3HD1      LEU  26  -0.496 -10.995   2.158
  193   HD21  LEU  26          1HD2      LEU  26  -2.685  -8.249   1.213
  194   HD22  LEU  26          2HD2      LEU  26  -1.112  -8.566   0.483
  195   HD23  LEU  26          3HD2      LEU  26  -1.327  -8.738   2.228
  196    HA   PRO  27           HA       PRO  27  -6.297 -10.315  -2.174
  197    HB2  PRO  27          2HB       PRO  27  -9.048 -10.995  -1.963
  198    HB3  PRO  27          1HB       PRO  27  -7.766 -11.994  -2.645
  199    HG2  PRO  27          2HG       PRO  27  -9.195 -12.617  -0.355
  200    HG3  PRO  27          1HG       PRO  27  -7.597 -13.267  -0.757
  201    HD2  PRO  27          2HD       PRO  27  -8.322 -10.999   1.054
  202    HD3  PRO  27          1HD       PRO  27  -7.106 -12.273   1.289
  203    H    ILE  28           H        ILE  28  -7.753  -9.129   0.671
  204    HA   ILE  28           HA       ILE  28  -9.236  -7.029  -0.773
  205    HB   ILE  28           HB       ILE  28  -9.509  -7.850   2.128
  206   HG12  ILE  28          2HG1      ILE  28 -10.265  -9.664   0.684
  207   HG13  ILE  28          1HG1      ILE  28 -11.635  -8.892   1.472
  208   HG21  ILE  28          1HG2      ILE  28 -11.568  -6.519   2.093
  209   HG22  ILE  28          2HG2      ILE  28 -11.217  -6.033   0.434
  210   HG23  ILE  28          3HG2      ILE  28 -10.142  -5.538   1.745
  211   HD11  ILE  28          1HD1      ILE  28 -12.139  -9.433  -0.826
  212   HD12  ILE  28          2HD1      ILE  28 -10.756  -8.494  -1.381
  213   HD13  ILE  28          3HD1      ILE  28 -12.121  -7.682  -0.608
  214    H    PHE  29           H        PHE  29  -7.368  -7.460   2.214
  215    HA   PHE  29           HA       PHE  29  -6.564  -4.664   2.084
  216    HB2  PHE  29          2HB       PHE  29  -6.376  -6.726   4.285
  217    HB3  PHE  29          1HB       PHE  29  -5.614  -5.144   4.382
  218    HD1  PHE  29          1HD       PHE  29  -8.791  -6.963   4.398
  219    HD2  PHE  29          2HD       PHE  29  -6.914  -3.154   4.667
  220    HE1  PHE  29          1HE       PHE  29 -10.884  -5.985   5.231
  221    HE2  PHE  29          2HE       PHE  29  -9.000  -2.179   5.497
  222    HZ   PHE  29           HZ       PHE  29 -10.987  -3.589   5.781
  223    H    GLY  30           H        GLY  30  -4.370  -4.090   2.124
  224    HA2  GLY  30          2HA       GLY  30  -2.529  -6.276   1.626
  225    HA3  GLY  30          1HA       GLY  30  -2.714  -5.041   0.389
  226    H    LEU  31           H        LEU  31  -0.336  -5.597   1.566
  227    HA   LEU  31           HA       LEU  31   0.124  -3.472   3.477
  228    HB2  LEU  31          2HB       LEU  31   1.973  -5.579   2.355
  229    HB3  LEU  31          1HB       LEU  31   2.373  -4.435   3.614
  230    HG   LEU  31           HG       LEU  31   0.322  -6.638   3.846
  231   HD11  LEU  31          1HD1      LEU  31   1.933  -7.668   5.360
  232   HD12  LEU  31          2HD1      LEU  31   3.088  -6.382   5.011
  233   HD13  LEU  31          3HD1      LEU  31   2.594  -7.494   3.735
  234   HD21  LEU  31          1HD2      LEU  31   0.304  -6.050   6.232
  235   HD22  LEU  31          2HD2      LEU  31  -0.248  -4.711   5.230
  236   HD23  LEU  31          3HD2      LEU  31   1.383  -4.694   5.901
  237    H    CYS  32           H        CYS  32   1.790  -2.000   3.019
  238    HA   CYS  32           HA       CYS  32   1.900  -1.256   0.227
  239    HB2  CYS  32          2HB       CYS  32   2.807   0.169   2.728
  240    HB3  CYS  32          1HB       CYS  32   2.766   0.851   1.104
  241    H    VAL  33           H        VAL  33   3.646  -1.808  -0.935
  242    HA   VAL  33           HA       VAL  33   6.065  -2.344   0.578
  243    HB   VAL  33           HB       VAL  33   5.202  -4.463  -0.232
  244   HG11  VAL  33          1HG1      VAL  33   3.794  -3.728  -2.046
  245   HG12  VAL  33          2HG1      VAL  33   4.915  -4.964  -2.620
  246   HG13  VAL  33          3HG1      VAL  33   5.210  -3.262  -2.986
  247   HG21  VAL  33          1HG2      VAL  33   7.091  -5.245  -1.616
  248   HG22  VAL  33          2HG2      VAL  33   7.609  -4.259  -0.250
  249   HG23  VAL  33          3HG2      VAL  33   7.570  -3.565  -1.871
  250    HA   PRO  34           HA       PRO  34   7.741   0.900  -1.952
  251    HB2  PRO  34          2HB       PRO  34  10.377   0.435  -1.287
  252    HB3  PRO  34          1HB       PRO  34   9.268   1.403  -0.310
  253    HG2  PRO  34          2HG       PRO  34  10.120  -1.425   0.015
  254    HG3  PRO  34          1HG       PRO  34   9.837  -0.197   1.265
  255    HD2  PRO  34          2HD       PRO  34   8.087  -2.169   0.714
  256    HD3  PRO  34          1HD       PRO  34   7.559  -0.562   1.252
  257    H    ASP  35           H        ASP  35   7.791   0.584  -3.990
  258    HA   ASP  35           HA       ASP  35   8.254  -1.760  -5.375
  259    HB2  ASP  35          2HB       ASP  35   8.374   1.073  -6.400
  260    HB3  ASP  35          1HB       ASP  35   8.333  -0.353  -7.424
  261    H    VAL  36           H        VAL  36  10.547   0.788  -4.628
  262    HA   VAL  36           HA       VAL  36  12.544  -0.914  -5.846
  263    HB   VAL  36           HB       VAL  36  14.036   1.191  -5.946
  264   HG11  VAL  36          1HG1      VAL  36  11.558   1.054  -7.661
  265   HG12  VAL  36          2HG1      VAL  36  13.065   0.175  -7.930
  266   HG13  VAL  36          3HG1      VAL  36  13.033   1.932  -8.062
  267   HG21  VAL  36          1HG2      VAL  36  11.349   2.554  -5.644
  268   HG22  VAL  36          2HG2      VAL  36  12.858   3.346  -6.098
  269   HG23  VAL  36          3HG2      VAL  36  12.682   2.639  -4.492
  Start of MODEL    3
    1    H1   LEU   1          1HT       LEU   1  16.020   6.130   0.516
    2    H2   LEU   1          2HT       LEU   1  14.989   6.261   1.872
    3    H3   LEU   1          3HT       LEU   1  14.873   7.360   0.632
    4    HA   LEU   1           HA       LEU   1  14.146   5.694  -0.878
    5    HB2  LEU   1          2HB       LEU   1  14.153   3.896   1.572
    6    HB3  LEU   1          1HB       LEU   1  13.389   3.504   0.055
    7    HG   LEU   1           HG       LEU   1  15.743   3.595  -0.971
    8   HD11  LEU   1          1HD1      LEU   1  17.601   3.142   0.534
    9   HD12  LEU   1          2HD1      LEU   1  16.550   3.393   1.922
   10   HD13  LEU   1          3HD1      LEU   1  16.918   4.735   0.843
   11   HD21  LEU   1          1HD2      LEU   1  15.064   1.474   1.051
   12   HD22  LEU   1          2HD2      LEU   1  16.231   1.310  -0.259
   13   HD23  LEU   1          3HD2      LEU   1  14.520   1.539  -0.623
   14    HA   PRO   2           HA       PRO   2  10.260   7.379   0.646
   15    HB2  PRO   2          2HB       PRO   2   9.036   5.667  -1.424
   16    HB3  PRO   2          1HB       PRO   2   8.951   7.423  -1.243
   17    HG2  PRO   2          2HG       PRO   2  10.374   6.324  -3.214
   18    HG3  PRO   2          1HG       PRO   2  10.934   7.772  -2.350
   19    HD2  PRO   2          2HD       PRO   2  11.822   4.930  -2.034
   20    HD3  PRO   2          1HD       PRO   2  12.776   6.432  -2.076
   21    H    ARG   3           H        ARG   3   8.932   6.731   2.112
   22    HA   ARG   3           HA       ARG   3   8.763   3.841   2.564
   23    HB2  ARG   3          2HB       ARG   3   8.212   6.007   4.576
   24    HB3  ARG   3          1HB       ARG   3   8.342   4.281   4.852
   25    HG2  ARG   3          2HG       ARG   3  10.740   4.450   4.165
   26    HG3  ARG   3          1HG       ARG   3  10.536   6.203   4.187
   27    HD2  ARG   3          2HD       ARG   3  10.249   4.282   6.482
   28    HD3  ARG   3          1HD       ARG   3  11.426   5.576   6.287
   29    HE   ARG   3           HE       ARG   3   8.562   6.198   6.504
   30   HH11  ARG   3          1HH1      ARG   3  11.876   6.613   7.705
   31   HH12  ARG   3          2HH1      ARG   3  11.428   7.611   9.000
   32   HH21  ARG   3          1HH2      ARG   3   7.944   7.479   8.290
   33   HH22  ARG   3          2HH2      ARG   3   9.107   8.164   9.340
   34    H    CYS   4           H        CYS   4   6.710   3.222   3.609
   35    HA   CYS   4           HA       CYS   4   4.550   4.373   2.088
   36    HB2  CYS   4          2HB       CYS   4   4.594   1.991   3.942
   37    HB3  CYS   4          1HB       CYS   4   3.310   2.419   2.813
   38    H    ASP   5           H        ASP   5   5.246   3.609   5.522
   39    HA   ASP   5           HA       ASP   5   4.491   4.419   7.468
   40    HB2  ASP   5          2HB       ASP   5   4.247   6.926   5.791
   41    HB3  ASP   5          1HB       ASP   5   3.884   6.918   7.514
   42    H    SER   6           H        SER   6   2.702   3.079   5.719
   43    HA   SER   6           HA       SER   6   0.132   4.259   6.292
   44    HB2  SER   6          2HB       SER   6  -0.535   2.388   4.677
   45    HB3  SER   6          1HB       SER   6   0.382   3.743   4.009
   46    HG   SER   6           HG       SER   6   1.175   1.694   3.371
   47    HA   PRO   7           HA       PRO   7  -0.190   1.156   9.518
   48    HB2  PRO   7          2HB       PRO   7  -2.846   1.550  10.069
   49    HB3  PRO   7          1HB       PRO   7  -1.562   2.588  10.693
   50    HG2  PRO   7          2HG       PRO   7  -3.405   3.039   8.393
   51    HG3  PRO   7          1HG       PRO   7  -2.799   4.192   9.591
   52    HD2  PRO   7          2HD       PRO   7  -1.817   3.994   7.064
   53    HD3  PRO   7          1HD       PRO   7  -0.841   4.535   8.446
   54    H    PHE   8           H        PHE   8  -2.145   1.411   6.654
   55    HA   PHE   8           HA       PHE   8  -2.228  -1.382   6.236
   56    HB2  PHE   8          2HB       PHE   8  -4.652  -1.697   6.276
   57    HB3  PHE   8          1HB       PHE   8  -4.146  -1.135   7.860
   58    HD1  PHE   8          1HD       PHE   8  -4.644   1.239   8.535
   59    HD2  PHE   8          2HD       PHE   8  -6.173  -0.445   4.934
   60    HE1  PHE   8          1HE       PHE   8  -6.309   3.043   8.387
   61    HE2  PHE   8          2HE       PHE   8  -7.840   1.361   4.800
   62    HZ   PHE   8           HZ       PHE   8  -7.901   3.100   6.525
   63    H    CYS   9           H        CYS   9  -3.527  -1.731   4.144
   64    HA   CYS   9           HA       CYS   9  -4.232   0.607   2.663
   65    HB2  CYS   9          2HB       CYS   9  -1.758   0.187   2.164
   66    HB3  CYS   9          1HB       CYS   9  -2.242  -1.370   1.488
   67    H    SER  10           H        SER  10  -5.445  -0.150   0.748
   68    HA   SER  10           HA       SER  10  -6.340  -2.902   0.839
   69    HB2  SER  10          2HB       SER  10  -8.751  -2.183   1.152
   70    HB3  SER  10          1HB       SER  10  -7.746  -1.996   2.590
   71    HG   SER  10           HG       SER  10  -7.419   0.203   1.798
   72    H    LEU  11           H        LEU  11  -8.059  -3.221  -0.982
   73    HA   LEU  11           HA       LEU  11  -7.057  -1.903  -3.261
   74    HB2  LEU  11          2HB       LEU  11  -8.656  -3.137  -4.590
   75    HB3  LEU  11          1HB       LEU  11  -7.934  -4.199  -3.408
   76    HG   LEU  11           HG       LEU  11 -10.625  -2.961  -2.950
   77   HD11  LEU  11          1HD1      LEU  11 -11.613  -5.037  -3.883
   78   HD12  LEU  11          2HD1      LEU  11 -10.003  -5.575  -4.360
   79   HD13  LEU  11          3HD1      LEU  11 -10.714  -4.147  -5.113
   80   HD21  LEU  11          1HD2      LEU  11  -9.280  -5.450  -1.932
   81   HD22  LEU  11          2HD2      LEU  11 -10.964  -5.039  -1.638
   82   HD23  LEU  11          3HD2      LEU  11  -9.697  -4.005  -0.996
   83    H    PHE  12           H        PHE  12  -9.580  -1.264  -1.102
   84    HA   PHE  12           HA       PHE  12 -10.972   0.569  -2.834
   85    HB2  PHE  12          2HB       PHE  12 -11.261   0.212   0.159
   86    HB3  PHE  12          1HB       PHE  12 -12.393   1.030  -0.910
   87    HD1  PHE  12          1HD       PHE  12 -11.942  -1.862   0.878
   88    HD2  PHE  12          2HD       PHE  12 -13.054  -0.593  -3.033
   89    HE1  PHE  12          1HE       PHE  12 -13.115  -3.990   0.523
   90    HE2  PHE  12          2HE       PHE  12 -14.229  -2.719  -3.389
   91    HZ   PHE  12           HZ       PHE  12 -14.267  -4.420  -1.615
   92    H    ARG  13           H        ARG  13  -8.869   0.819   0.035
   93    HA   ARG  13           HA       ARG  13  -8.375   3.608  -0.717
   94    HB2  ARG  13          2HB       ARG  13  -8.167   2.237   1.959
   95    HB3  ARG  13          1HB       ARG  13  -7.288   3.716   1.632
   96    HG2  ARG  13          2HG       ARG  13  -9.285   4.264   2.811
   97    HG3  ARG  13          1HG       ARG  13  -9.457   4.829   1.155
   98    HD2  ARG  13          2HD       ARG  13 -10.762   2.800   0.645
   99    HD3  ARG  13          1HD       ARG  13 -10.617   2.335   2.342
  100    HE   ARG  13           HE       ARG  13 -11.718   4.940   1.848
  101   HH11  ARG  13          1HH1      ARG  13 -12.396   1.534   2.506
  102   HH12  ARG  13          2HH1      ARG  13 -14.003   1.843   2.979
  103   HH21  ARG  13          1HH2      ARG  13 -13.901   5.318   2.526
  104   HH22  ARG  13          2HH2      ARG  13 -14.869   3.986   2.993
  105    H    ILE  14           H        ILE  14  -6.883   3.290  -2.259
  106    HA   ILE  14           HA       ILE  14  -4.449   1.845  -1.500
  107    HB   ILE  14           HB       ILE  14  -3.776   2.057  -3.875
  108   HG12  ILE  14          2HG1      ILE  14  -6.515   3.266  -4.292
  109   HG13  ILE  14          1HG1      ILE  14  -4.991   4.138  -4.387
  110   HG21  ILE  14          1HG2      ILE  14  -4.947   0.053  -3.187
  111   HG22  ILE  14          2HG2      ILE  14  -5.399   0.488  -4.835
  112   HG23  ILE  14          3HG2      ILE  14  -6.500   0.827  -3.499
  113   HD11  ILE  14          1HD1      ILE  14  -5.878   3.593  -6.580
  114   HD12  ILE  14          2HD1      ILE  14  -5.835   1.877  -6.175
  115   HD13  ILE  14          3HD1      ILE  14  -4.331   2.792  -6.296
  116    H    GLY  15           H        GLY  15  -5.743   4.844  -1.410
  117    HA2  GLY  15          2HA       GLY  15  -3.698   6.548  -2.325
  118    HA3  GLY  15          1HA       GLY  15  -4.952   6.977  -1.173
  119    H    LEU  16           H        LEU  16  -3.811   4.545   0.382
  120    HA   LEU  16           HA       LEU  16  -2.136   6.049   2.112
  121    HB2  LEU  16          2HB       LEU  16  -2.759   3.099   2.011
  122    HB3  LEU  16          1HB       LEU  16  -1.683   3.791   3.193
  123    HG   LEU  16           HG       LEU  16  -3.766   3.410   4.241
  124   HD11  LEU  16          1HD1      LEU  16  -4.439   5.608   5.004
  125   HD12  LEU  16          2HD1      LEU  16  -3.542   6.345   3.681
  126   HD13  LEU  16          3HD1      LEU  16  -2.686   5.433   4.927
  127   HD21  LEU  16          1HD2      LEU  16  -5.885   4.385   3.485
  128   HD22  LEU  16          2HD2      LEU  16  -5.213   3.257   2.306
  129   HD23  LEU  16          3HD2      LEU  16  -5.078   4.997   2.040
  130    H    CYS  17           H        CYS  17  -1.569   4.031  -0.662
  131    HA   CYS  17           HA       CYS  17   1.246   4.612  -0.403
  132    HB2  CYS  17          2HB       CYS  17   0.332   1.786  -1.040
  133    HB3  CYS  17          1HB       CYS  17   1.958   2.375  -0.891
  134    H    GLY  18           H        GLY  18   0.954   6.063  -2.044
  135    HA2  GLY  18          2HA       GLY  18   0.760   4.821  -4.689
  136    HA3  GLY  18          1HA       GLY  18  -0.056   6.345  -4.330
  137    H    ASP  19           H        ASP  19   2.553   5.249  -5.858
  138    HA   ASP  19           HA       ASP  19   4.417   6.125  -6.658
  139    HB2  ASP  19          2HB       ASP  19   3.323   8.127  -6.908
  140    HB3  ASP  19          1HB       ASP  19   3.415   8.553  -5.210
  141    H    LYS  20           H        LYS  20   3.879   6.120  -3.392
  142    HA   LYS  20           HA       LYS  20   6.692   6.349  -2.628
  143    HB2  LYS  20          2HB       LYS  20   4.319   5.701  -0.873
  144    HB3  LYS  20          1HB       LYS  20   5.891   6.303  -0.358
  145    HG2  LYS  20          2HG       LYS  20   3.906   7.824  -2.042
  146    HG3  LYS  20          1HG       LYS  20   4.163   8.054  -0.316
  147    HD2  LYS  20          2HD       LYS  20   6.423   8.821  -0.714
  148    HD3  LYS  20          1HD       LYS  20   6.297   8.405  -2.421
  149    HE2  LYS  20          2HE       LYS  20   4.574  10.466  -1.053
  150    HE3  LYS  20          1HE       LYS  20   6.045  10.854  -1.940
  151    HZ1  LYS  20          1HZ       LYS  20   3.606   9.583  -3.089
  152    HZ2  LYS  20          2HZ       LYS  20   5.014   9.958  -3.956
  153    HZ3  LYS  20          3HZ       LYS  20   4.085  11.174  -3.291
  154    H    CYS  21           H        CYS  21   4.078   3.951  -2.745
  155    HA   CYS  21           HA       CYS  21   5.775   1.859  -3.412
  156    HB2  CYS  21          2HB       CYS  21   5.005   0.468  -1.414
  157    HB3  CYS  21          1HB       CYS  21   6.335   1.552  -1.098
  158    H    THR  22           H        THR  22   4.288  -0.137  -3.454
  159    HA   THR  22           HA       THR  22   1.548   0.779  -4.016
  160    HB   THR  22           HB       THR  22   3.111  -1.405  -5.448
  161    HG1  THR  22          1HG       THR  22   3.980   0.449  -6.198
  162   HG21  THR  22          1HG2      THR  22   0.439  -0.123  -6.097
  163   HG22  THR  22          2HG2      THR  22   0.654  -1.748  -5.451
  164   HG23  THR  22          3HG2      THR  22   1.250  -1.355  -7.064
  165    H    CYS  23           H        CYS  23  -0.130  -0.581  -3.158
  166    HA   CYS  23           HA       CYS  23   0.948  -2.647  -1.417
  167    HB2  CYS  23          2HB       CYS  23  -1.127  -2.529  -0.128
  168    HB3  CYS  23          1HB       CYS  23  -0.348  -0.959  -0.205
  169    H    VAL  24           H        VAL  24   0.186  -4.654  -1.373
  170    HA   VAL  24           HA       VAL  24  -1.356  -5.424  -3.748
  171    HB   VAL  24           HB       VAL  24   0.352  -7.201  -1.972
  172   HG11  VAL  24          1HG1      VAL  24   0.181  -8.821  -3.806
  173   HG12  VAL  24          2HG1      VAL  24  -0.868  -7.707  -4.683
  174   HG13  VAL  24          3HG1      VAL  24  -1.403  -8.400  -3.153
  175   HG21  VAL  24          1HG2      VAL  24   2.019  -7.177  -3.772
  176   HG22  VAL  24          2HG2      VAL  24   1.766  -5.563  -3.106
  177   HG23  VAL  24          3HG2      VAL  24   1.047  -6.000  -4.656
  178    HA   PRO  25           HA       PRO  25  -4.333  -5.999  -0.332
  179    HB2  PRO  25          2HB       PRO  25  -6.367  -5.638  -2.368
  180    HB3  PRO  25          1HB       PRO  25  -6.006  -4.604  -0.986
  181    HG2  PRO  25          2HG       PRO  25  -5.546  -3.828  -3.539
  182    HG3  PRO  25          1HG       PRO  25  -4.542  -3.291  -2.182
  183    HD2  PRO  25          2HD       PRO  25  -4.022  -5.479  -4.165
  184    HD3  PRO  25          1HD       PRO  25  -2.927  -4.210  -3.561
  185    H    LEU  26           H        LEU  26  -4.672  -7.986   0.242
  186    HA   LEU  26           HA       LEU  26  -5.961  -9.715  -1.578
  187    HB2  LEU  26          2HB       LEU  26  -4.201 -11.581  -1.060
  188    HB3  LEU  26          1HB       LEU  26  -3.956 -10.386  -2.316
  189    HG   LEU  26           HG       LEU  26  -2.423  -9.150  -0.776
  190   HD11  LEU  26          1HD1      LEU  26  -3.185  -9.960   1.372
  191   HD12  LEU  26          2HD1      LEU  26  -1.465 -10.282   1.141
  192   HD13  LEU  26          3HD1      LEU  26  -2.639 -11.587   0.965
  193   HD21  LEU  26          1HD2      LEU  26  -1.559 -10.608  -2.489
  194   HD22  LEU  26          2HD2      LEU  26  -1.689 -11.995  -1.408
  195   HD23  LEU  26          3HD2      LEU  26  -0.552 -10.696  -1.044
  196    HA   PRO  27           HA       PRO  27  -7.750 -10.199  -1.661
  197    HB2  PRO  27          2HB       PRO  27 -10.246 -10.127  -0.188
  198    HB3  PRO  27          1HB       PRO  27  -9.725 -11.301  -1.394
  199    HG2  PRO  27          2HG       PRO  27 -10.018 -11.961   1.202
  200    HG3  PRO  27          1HG       PRO  27  -8.748 -12.680   0.194
  201    HD2  PRO  27          2HD       PRO  27  -8.566 -10.396   2.117
  202    HD3  PRO  27          1HD       PRO  27  -7.503 -11.816   1.981
  203    H    ILE  28           H        ILE  28  -8.416  -8.569   1.402
  204    HA   ILE  28           HA       ILE  28  -9.532  -6.288  -0.054
  205    HB   ILE  28           HB       ILE  28  -9.707  -6.893   2.913
  206   HG12  ILE  28          2HG1      ILE  28 -11.823  -7.163   0.757
  207   HG13  ILE  28          1HG1      ILE  28 -10.964  -8.509   1.494
  208   HG21  ILE  28          1HG2      ILE  28 -11.377  -5.107   2.947
  209   HG22  ILE  28          2HG2      ILE  28 -11.093  -4.798   1.232
  210   HG23  ILE  28          3HG2      ILE  28  -9.810  -4.504   2.403
  211   HD11  ILE  28          1HD1      ILE  28 -13.186  -8.246   2.441
  212   HD12  ILE  28          2HD1      ILE  28 -12.804  -6.591   2.913
  213   HD13  ILE  28          3HD1      ILE  28 -11.948  -7.941   3.659
  214    H    PHE  29           H        PHE  29  -7.449  -6.975   2.722
  215    HA   PHE  29           HA       PHE  29  -6.153  -4.401   2.319
  216    HB2  PHE  29          2HB       PHE  29  -6.122  -6.276   4.692
  217    HB3  PHE  29          1HB       PHE  29  -5.215  -4.774   4.594
  218    HD1  PHE  29          1HD       PHE  29  -8.455  -6.288   5.179
  219    HD2  PHE  29          2HD       PHE  29  -6.397  -2.626   4.570
  220    HE1  PHE  29          1HE       PHE  29 -10.392  -5.062   6.054
  221    HE2  PHE  29          2HE       PHE  29  -8.342  -1.382   5.454
  222    HZ   PHE  29           HZ       PHE  29 -10.340  -2.608   6.192
  223    H    GLY  30           H        GLY  30  -3.801  -4.388   2.640
  224    HA2  GLY  30          2HA       GLY  30  -2.399  -6.839   2.324
  225    HA3  GLY  30          1HA       GLY  30  -2.479  -5.904   0.836
  226    H    LEU  31           H        LEU  31  -0.102  -6.254   1.568
  227    HA   LEU  31           HA       LEU  31   0.739  -4.125   3.350
  228    HB2  LEU  31          2HB       LEU  31   2.995  -5.223   3.178
  229    HB3  LEU  31          1HB       LEU  31   1.746  -6.178   3.928
  230    HG   LEU  31           HG       LEU  31   1.523  -7.426   1.722
  231   HD11  LEU  31          1HD1      LEU  31   2.612  -5.848   0.235
  232   HD12  LEU  31          2HD1      LEU  31   3.413  -7.419   0.193
  233   HD13  LEU  31          3HD1      LEU  31   4.142  -6.082   1.083
  234   HD21  LEU  31          1HD2      LEU  31   4.135  -7.580   3.209
  235   HD22  LEU  31          2HD2      LEU  31   3.479  -8.836   2.157
  236   HD23  LEU  31          3HD2      LEU  31   2.629  -8.394   3.638
  237    H    CYS  32           H        CYS  32   2.479  -2.691   2.703
  238    HA   CYS  32           HA       CYS  32   2.250  -2.055  -0.129
  239    HB2  CYS  32          2HB       CYS  32   3.096  -0.375   2.224
  240    HB3  CYS  32          1HB       CYS  32   3.118   0.169   0.554
  241    H    VAL  33           H        VAL  33   3.868  -2.394  -1.433
  242    HA   VAL  33           HA       VAL  33   6.461  -2.996  -0.257
  243    HB   VAL  33           HB       VAL  33   5.452  -4.984  -1.288
  244   HG11  VAL  33          1HG1      VAL  33   5.299  -3.398  -3.840
  245   HG12  VAL  33          2HG1      VAL  33   3.938  -3.956  -2.869
  246   HG13  VAL  33          3HG1      VAL  33   4.976  -5.124  -3.689
  247   HG21  VAL  33          1HG2      VAL  33   7.709  -3.879  -2.946
  248   HG22  VAL  33          2HG2      VAL  33   7.205  -5.567  -2.923
  249   HG23  VAL  33          3HG2      VAL  33   7.858  -4.822  -1.463
  250    HA   PRO  34           HA       PRO  34   7.844   0.658  -2.423
  251    HB2  PRO  34          2HB       PRO  34  10.529  -0.031  -2.479
  252    HB3  PRO  34          1HB       PRO  34   9.732   0.773  -1.125
  253    HG2  PRO  34          2HG       PRO  34  10.382  -2.118  -1.496
  254    HG3  PRO  34          1HG       PRO  34  10.477  -1.126  -0.029
  255    HD2  PRO  34          2HD       PRO  34   8.474  -2.847  -0.449
  256    HD3  PRO  34          1HD       PRO  34   8.204  -1.295   0.374
  257    H    ASP  35           H        ASP  35   8.483   1.190  -4.461
  258    HA   ASP  35           HA       ASP  35   8.537  -1.024  -6.354
  259    HB2  ASP  35          2HB       ASP  35   7.792   1.871  -6.669
  260    HB3  ASP  35          1HB       ASP  35   8.093   0.838  -8.061
  261    H    VAL  36           H        VAL  36  10.638   0.840  -4.793
  262    HA   VAL  36           HA       VAL  36  12.481   0.951  -7.018
  263    HB   VAL  36           HB       VAL  36  14.043   2.143  -5.391
  264   HG11  VAL  36          1HG1      VAL  36  12.819   4.271  -5.448
  265   HG12  VAL  36          2HG1      VAL  36  11.340   3.396  -5.853
  266   HG13  VAL  36          3HG1      VAL  36  12.702   3.396  -6.974
  267   HG21  VAL  36          1HG2      VAL  36  11.584   2.177  -3.613
  268   HG22  VAL  36          2HG2      VAL  36  13.055   3.107  -3.333
  269   HG23  VAL  36          3HG2      VAL  36  13.101   1.346  -3.265
  Start of MODEL    4
    1    H1   LEU   1          1HT       LEU   1  15.953   7.994   1.778
    2    H2   LEU   1          2HT       LEU   1  17.211   6.961   1.327
    3    H3   LEU   1          3HT       LEU   1  16.257   6.618   2.690
    4    HA   LEU   1           HA       LEU   1  15.245   6.685  -0.056
    5    HB2  LEU   1          2HB       LEU   1  15.917   4.380   1.777
    6    HB3  LEU   1          1HB       LEU   1  14.956   4.216   0.324
    7    HG   LEU   1           HG       LEU   1  17.789   5.215   0.334
    8   HD11  LEU   1          1HD1      LEU   1  17.709   2.911   1.144
    9   HD12  LEU   1          2HD1      LEU   1  18.386   2.976  -0.485
   10   HD13  LEU   1          3HD1      LEU   1  16.716   2.460  -0.241
   11   HD21  LEU   1          1HD2      LEU   1  17.694   4.718  -2.054
   12   HD22  LEU   1          2HD2      LEU   1  16.471   5.902  -1.602
   13   HD23  LEU   1          3HD2      LEU   1  16.012   4.223  -1.886
   14    HA   PRO   2           HA       PRO   2  11.412   7.250   2.079
   15    HB2  PRO   2          2HB       PRO   2   9.724   6.630   0.077
   16    HB3  PRO   2          1HB       PRO   2  10.662   8.129   0.075
   17    HG2  PRO   2          2HG       PRO   2  11.181   5.567  -1.378
   18    HG3  PRO   2          1HG       PRO   2  11.334   7.232  -1.965
   19    HD2  PRO   2          2HD       PRO   2  13.476   5.740  -1.135
   20    HD3  PRO   2          1HD       PRO   2  13.414   7.504  -1.003
   21    H    ARG   3           H        ARG   3   9.697   6.158   2.905
   22    HA   ARG   3           HA       ARG   3   9.844   3.237   2.740
   23    HB2  ARG   3          2HB       ARG   3   8.983   4.973   5.068
   24    HB3  ARG   3          1HB       ARG   3   9.022   3.219   5.043
   25    HG2  ARG   3          2HG       ARG   3  11.451   3.267   4.808
   26    HG3  ARG   3          1HG       ARG   3  11.416   5.029   4.829
   27    HD2  ARG   3          2HD       ARG   3  11.989   4.247   7.025
   28    HD3  ARG   3          1HD       ARG   3  10.362   4.921   7.078
   29    HE   ARG   3           HE       ARG   3  10.898   2.038   6.885
   30   HH11  ARG   3          1HH1      ARG   3   9.045   4.711   8.301
   31   HH12  ARG   3          2HH1      ARG   3   8.192   3.716   9.365
   32   HH21  ARG   3          1HH2      ARG   3   9.758   0.712   8.334
   33   HH22  ARG   3          2HH2      ARG   3   8.584   1.342   9.403
   34    H    CYS   4           H        CYS   4   7.540   2.437   3.642
   35    HA   CYS   4           HA       CYS   4   5.628   3.775   1.893
   36    HB2  CYS   4          2HB       CYS   4   5.503   1.048   3.177
   37    HB3  CYS   4          1HB       CYS   4   4.345   1.708   2.023
   38    H    ASP   5           H        ASP   5   5.905   2.462   5.168
   39    HA   ASP   5           HA       ASP   5   4.854   2.868   7.101
   40    HB2  ASP   5          2HB       ASP   5   4.629   5.545   5.787
   41    HB3  ASP   5          1HB       ASP   5   3.795   5.261   7.306
   42    H    SER   6           H        SER   6   3.333   1.502   5.165
   43    HA   SER   6           HA       SER   6   0.700   2.636   5.331
   44    HB2  SER   6          2HB       SER   6   0.028   0.563   4.066
   45    HB3  SER   6          1HB       SER   6   1.206   1.585   3.252
   46    HG   SER   6           HG       SER   6   2.414  -0.275   4.817
   47    HA   PRO   7           HA       PRO   7  -0.123   0.305   9.086
   48    HB2  PRO   7          2HB       PRO   7  -2.666   1.310   9.433
   49    HB3  PRO   7          1HB       PRO   7  -1.223   2.125  10.018
   50    HG2  PRO   7          2HG       PRO   7  -2.899   2.721   7.646
   51    HG3  PRO   7          1HG       PRO   7  -1.959   3.821   8.664
   52    HD2  PRO   7          2HD       PRO   7  -1.207   2.942   6.157
   53    HD3  PRO   7          1HD       PRO   7  -0.092   3.576   7.381
   54    H    PHE   8           H        PHE   8  -2.025   0.751   6.234
   55    HA   PHE   8           HA       PHE   8  -2.594  -1.955   5.803
   56    HB2  PHE   8          2HB       PHE   8  -5.030  -1.851   5.952
   57    HB3  PHE   8          1HB       PHE   8  -4.382  -1.404   7.522
   58    HD1  PHE   8          1HD       PHE   8  -4.430   0.984   8.240
   59    HD2  PHE   8          2HD       PHE   8  -6.343  -0.299   4.656
   60    HE1  PHE   8          1HE       PHE   8  -5.724   3.067   8.175
   61    HE2  PHE   8          2HE       PHE   8  -7.633   1.786   4.593
   62    HZ   PHE   8           HZ       PHE   8  -7.320   3.477   6.352
   63    H    CYS   9           H        CYS   9  -3.974  -1.959   3.759
   64    HA   CYS   9           HA       CYS   9  -4.579   0.446   2.429
   65    HB2  CYS   9          2HB       CYS   9  -2.083   0.165   1.957
   66    HB3  CYS   9          1HB       CYS   9  -2.477  -1.355   1.154
   67    H    SER  10           H        SER  10  -5.656  -0.269   0.306
   68    HA   SER  10           HA       SER  10  -6.495  -3.055   0.386
   69    HB2  SER  10          2HB       SER  10  -8.447  -0.773   0.742
   70    HB3  SER  10          1HB       SER  10  -8.872  -2.471   0.515
   71    HG   SER  10           HG       SER  10  -7.239  -2.555   2.438
   72    H    LEU  11           H        LEU  11  -7.951  -3.529  -1.497
   73    HA   LEU  11           HA       LEU  11  -7.038  -2.281  -3.846
   74    HB2  LEU  11          2HB       LEU  11  -8.669  -3.636  -5.063
   75    HB3  LEU  11          1HB       LEU  11  -7.797  -4.610  -3.913
   76    HG   LEU  11           HG       LEU  11 -10.572  -3.572  -3.356
   77   HD11  LEU  11          1HD1      LEU  11  -9.761  -6.198  -4.619
   78   HD12  LEU  11          2HD1      LEU  11 -10.633  -4.891  -5.418
   79   HD13  LEU  11          3HD1      LEU  11 -11.392  -5.779  -4.097
   80   HD21  LEU  11          1HD2      LEU  11  -8.926  -5.826  -2.183
   81   HD22  LEU  11          2HD2      LEU  11 -10.646  -5.623  -1.913
   82   HD23  LEU  11          3HD2      LEU  11  -9.541  -4.391  -1.340
   83    H    PHE  12           H        PHE  12  -9.667  -1.716  -1.731
   84    HA   PHE  12           HA       PHE  12 -11.130   0.021  -3.517
   85    HB2  PHE  12          2HB       PHE  12 -11.430  -0.232  -0.516
   86    HB3  PHE  12          1HB       PHE  12 -12.607   0.401  -1.654
   87    HD1  PHE  12          1HD       PHE  12 -11.933  -2.262   0.382
   88    HD2  PHE  12          2HD       PHE  12 -13.131  -1.448  -3.624
   89    HE1  PHE  12          1HE       PHE  12 -12.935  -4.499   0.227
   90    HE2  PHE  12          2HE       PHE  12 -14.132  -3.679  -3.777
   91    HZ   PHE  12           HZ       PHE  12 -14.037  -5.212  -1.853
   92    H    ARG  13           H        ARG  13  -8.762   0.273  -0.976
   93    HA   ARG  13           HA       ARG  13  -8.742   3.204  -1.258
   94    HB2  ARG  13          2HB       ARG  13  -8.077   1.699   1.278
   95    HB3  ARG  13          1HB       ARG  13  -8.252   3.429   1.088
   96    HG2  ARG  13          2HG       ARG  13 -10.429   1.355   1.018
   97    HG3  ARG  13          1HG       ARG  13 -10.153   2.554   2.275
   98    HD2  ARG  13          2HD       ARG  13 -10.982   3.083  -0.575
   99    HD3  ARG  13          1HD       ARG  13 -12.018   3.194   0.844
  100    HE   ARG  13           HE       ARG  13  -9.976   4.898   1.357
  101   HH11  ARG  13          1HH1      ARG  13 -12.275   4.585  -1.333
  102   HH12  ARG  13          2HH1      ARG  13 -12.315   6.264  -1.640
  103   HH21  ARG  13          1HH2      ARG  13 -10.033   7.174   0.874
  104   HH22  ARG  13          2HH2      ARG  13 -11.045   7.732  -0.392
  105    H    ILE  14           H        ILE  14  -7.116   3.045  -2.789
  106    HA   ILE  14           HA       ILE  14  -4.592   1.872  -1.863
  107    HB   ILE  14           HB       ILE  14  -3.775   2.207  -4.194
  108   HG12  ILE  14          2HG1      ILE  14  -6.655   2.905  -4.800
  109   HG13  ILE  14          1HG1      ILE  14  -5.314   4.044  -4.812
  110   HG21  ILE  14          1HG2      ILE  14  -5.042   0.373  -5.196
  111   HG22  ILE  14          2HG2      ILE  14  -6.253   0.526  -3.923
  112   HG23  ILE  14          3HG2      ILE  14  -4.604   0.047  -3.521
  113   HD11  ILE  14          1HD1      ILE  14  -4.294   2.797  -6.639
  114   HD12  ILE  14          2HD1      ILE  14  -5.923   3.349  -7.047
  115   HD13  ILE  14          3HD1      ILE  14  -5.644   1.661  -6.606
  116    H    GLY  15           H        GLY  15  -6.179   4.658  -1.768
  117    HA2  GLY  15          2HA       GLY  15  -4.306   6.618  -2.505
  118    HA3  GLY  15          1HA       GLY  15  -5.621   6.845  -1.373
  119    H    LEU  16           H        LEU  16  -4.286   4.450   0.040
  120    HA   LEU  16           HA       LEU  16  -2.960   5.764   2.112
  121    HB2  LEU  16          2HB       LEU  16  -2.934   2.907   1.192
  122    HB3  LEU  16          1HB       LEU  16  -1.878   3.416   2.483
  123    HG   LEU  16           HG       LEU  16  -3.878   2.321   3.328
  124   HD11  LEU  16          1HD1      LEU  16  -3.738   5.234   3.996
  125   HD12  LEU  16          2HD1      LEU  16  -2.829   3.919   4.738
  126   HD13  LEU  16          3HD1      LEU  16  -4.579   4.009   4.944
  127   HD21  LEU  16          1HD2      LEU  16  -6.086   3.382   3.170
  128   HD22  LEU  16          2HD2      LEU  16  -5.481   2.916   1.581
  129   HD23  LEU  16          3HD2      LEU  16  -5.419   4.603   2.089
  130    H    CYS  17           H        CYS  17  -1.653   4.351  -0.851
  131    HA   CYS  17           HA       CYS  17   0.915   5.599  -0.209
  132    HB2  CYS  17          2HB       CYS  17   0.561   2.821  -1.330
  133    HB3  CYS  17          1HB       CYS  17   2.091   3.641  -1.052
  134    H    GLY  18           H        GLY  18   1.887   6.556  -1.933
  135    HA2  GLY  18          2HA       GLY  18   1.020   5.910  -4.600
  136    HA3  GLY  18          1HA       GLY  18   0.651   7.533  -4.034
  137    H    ASP  19           H        ASP  19   2.512   6.463  -6.114
  138    HA   ASP  19           HA       ASP  19   4.257   7.269  -7.190
  139    HB2  ASP  19          2HB       ASP  19   3.785   9.356  -6.370
  140    HB3  ASP  19          1HB       ASP  19   4.487   9.053  -4.789
  141    H    LYS  20           H        LYS  20   4.660   6.242  -4.061
  142    HA   LYS  20           HA       LYS  20   7.462   5.497  -4.629
  143    HB2  LYS  20          2HB       LYS  20   6.307   5.919  -1.881
  144    HB3  LYS  20          1HB       LYS  20   8.006   5.798  -2.334
  145    HG2  LYS  20          2HG       LYS  20   7.785   7.849  -3.668
  146    HG3  LYS  20          1HG       LYS  20   6.112   7.983  -3.156
  147    HD2  LYS  20          2HD       LYS  20   6.961   8.030  -0.819
  148    HD3  LYS  20          1HD       LYS  20   8.589   8.221  -1.481
  149    HE2  LYS  20          2HE       LYS  20   6.235  10.088  -1.874
  150    HE3  LYS  20          1HE       LYS  20   7.724  10.434  -1.005
  151    HZ1  LYS  20          1HZ       LYS  20   7.746  11.450  -3.190
  152    HZ2  LYS  20          2HZ       LYS  20   7.467   9.997  -3.951
  153    HZ3  LYS  20          3HZ       LYS  20   8.925  10.256  -3.134
  154    H    CYS  21           H        CYS  21   4.543   4.397  -2.910
  155    HA   CYS  21           HA       CYS  21   5.490   1.655  -3.337
  156    HB2  CYS  21          2HB       CYS  21   3.936   2.624  -0.927
  157    HB3  CYS  21          1HB       CYS  21   4.557   1.011  -1.232
  158    H    THR  22           H        THR  22   3.844   0.137  -3.679
  159    HA   THR  22           HA       THR  22   1.134   1.173  -4.121
  160    HB   THR  22           HB       THR  22   2.600  -0.964  -5.721
  161    HG1  THR  22          1HG       THR  22   3.433   0.913  -6.402
  162   HG21  THR  22          1HG2      THR  22   0.646  -0.849  -7.227
  163   HG22  THR  22          2HG2      THR  22  -0.110   0.323  -6.142
  164   HG23  THR  22          3HG2      THR  22   0.176  -1.330  -5.593
  165    H    CYS  23           H        CYS  23  -0.529  -0.421  -3.426
  166    HA   CYS  23           HA       CYS  23   0.699  -2.380  -1.650
  167    HB2  CYS  23          2HB       CYS  23  -1.389  -2.349  -0.388
  168    HB3  CYS  23          1HB       CYS  23  -0.607  -0.775  -0.443
  169    H    VAL  24           H        VAL  24  -0.067  -4.364  -1.387
  170    HA   VAL  24           HA       VAL  24  -1.793  -5.328  -3.503
  171    HB   VAL  24           HB       VAL  24   0.428  -6.295  -3.799
  172   HG11  VAL  24          1HG1      VAL  24   1.350  -6.006  -1.582
  173   HG12  VAL  24          2HG1      VAL  24   1.527  -7.683  -2.103
  174   HG13  VAL  24          3HG1      VAL  24   0.270  -7.247  -0.945
  175   HG21  VAL  24          1HG2      VAL  24  -1.453  -8.326  -2.594
  176   HG22  VAL  24          2HG2      VAL  24  -0.084  -8.695  -3.643
  177   HG23  VAL  24          3HG2      VAL  24  -1.448  -7.768  -4.268
  178    HA   PRO  25           HA       PRO  25  -4.269  -6.063   0.137
  179    HB2  PRO  25          2HB       PRO  25  -6.619  -6.253  -1.147
  180    HB3  PRO  25          1HB       PRO  25  -5.811  -4.706  -0.892
  181    HG2  PRO  25          2HG       PRO  25  -6.053  -6.322  -3.369
  182    HG3  PRO  25          1HG       PRO  25  -5.929  -4.568  -3.165
  183    HD2  PRO  25          2HD       PRO  25  -3.849  -6.320  -3.881
  184    HD3  PRO  25          1HD       PRO  25  -3.701  -4.618  -3.401
  185    H    LEU  26           H        LEU  26  -4.637  -7.985   1.157
  186    HA   LEU  26           HA       LEU  26  -5.753 -10.129  -0.345
  187    HB2  LEU  26          2HB       LEU  26  -4.090 -11.832   0.241
  188    HB3  LEU  26          1HB       LEU  26  -3.418 -10.586  -0.778
  189    HG   LEU  26           HG       LEU  26  -2.957 -10.697   2.208
  190   HD11  LEU  26          1HD1      LEU  26  -2.124 -12.739   1.178
  191   HD12  LEU  26          2HD1      LEU  26  -0.798 -11.693   1.684
  192   HD13  LEU  26          3HD1      LEU  26  -1.245 -11.785  -0.019
  193   HD21  LEU  26          1HD2      LEU  26  -1.457  -9.292  -0.007
  194   HD22  LEU  26          2HD2      LEU  26  -1.025  -9.284   1.703
  195   HD23  LEU  26          3HD2      LEU  26  -2.520  -8.518   1.169
  196    HA   PRO  27           HA       PRO  27  -7.559 -10.680  -0.249
  197    HB2  PRO  27          2HB       PRO  27 -10.014 -10.221   1.231
  198    HB3  PRO  27          1HB       PRO  27  -9.539 -11.640   0.296
  199    HG2  PRO  27          2HG       PRO  27  -9.767 -11.692   2.991
  200    HG3  PRO  27          1HG       PRO  27  -8.595 -12.679   2.101
  201    HD2  PRO  27          2HD       PRO  27  -8.169 -10.112   3.567
  202    HD3  PRO  27          1HD       PRO  27  -7.174 -11.580   3.566
  203    H    ILE  28           H        ILE  28  -8.727  -8.490   2.321
  204    HA   ILE  28           HA       ILE  28  -9.192  -6.466   0.263
  205    HB   ILE  28           HB       ILE  28 -10.139  -6.535   3.148
  206   HG12  ILE  28          2HG1      ILE  28 -11.659  -6.911   0.556
  207   HG13  ILE  28          1HG1      ILE  28 -11.224  -8.194   1.674
  208   HG21  ILE  28          1HG2      ILE  28 -11.527  -4.592   2.533
  209   HG22  ILE  28          2HG2      ILE  28 -10.733  -4.543   0.956
  210   HG23  ILE  28          3HG2      ILE  28  -9.801  -4.244   2.418
  211   HD11  ILE  28          1HD1      ILE  28 -13.532  -7.568   1.922
  212   HD12  ILE  28          2HD1      ILE  28 -13.078  -5.893   2.241
  213   HD13  ILE  28          3HD1      ILE  28 -12.639  -7.164   3.386
  214    H    PHE  29           H        PHE  29  -7.752  -6.810   3.469
  215    HA   PHE  29           HA       PHE  29  -6.317  -4.343   3.029
  216    HB2  PHE  29          2HB       PHE  29  -6.511  -6.112   5.477
  217    HB3  PHE  29          1HB       PHE  29  -5.573  -4.627   5.395
  218    HD1  PHE  29          1HD       PHE  29  -8.826  -6.066   5.945
  219    HD2  PHE  29          2HD       PHE  29  -6.790  -2.456   4.996
  220    HE1  PHE  29          1HE       PHE  29 -10.811  -4.780   6.589
  221    HE2  PHE  29          2HE       PHE  29  -8.781  -1.163   5.650
  222    HZ   PHE  29           HZ       PHE  29 -10.795  -2.330   6.447
  223    H    GLY  30           H        GLY  30  -4.216  -4.201   2.781
  224    HA2  GLY  30          2HA       GLY  30  -2.473  -6.481   3.112
  225    HA3  GLY  30          1HA       GLY  30  -2.627  -5.841   1.476
  226    H    LEU  31           H        LEU  31  -0.191  -5.521   2.168
  227    HA   LEU  31           HA       LEU  31  -0.018  -2.854   3.375
  228    HB2  LEU  31          2HB       LEU  31   2.050  -5.048   3.301
  229    HB3  LEU  31          1HB       LEU  31   2.369  -3.417   3.851
  230    HG   LEU  31           HG       LEU  31   0.457  -5.365   5.144
  231   HD11  LEU  31          1HD1      LEU  31   2.782  -6.001   5.457
  232   HD12  LEU  31          2HD1      LEU  31   2.088  -5.406   6.965
  233   HD13  LEU  31          3HD1      LEU  31   3.164  -4.375   6.023
  234   HD21  LEU  31          1HD2      LEU  31  -0.299  -3.070   5.438
  235   HD22  LEU  31          2HD2      LEU  31   1.310  -2.591   5.975
  236   HD23  LEU  31          3HD2      LEU  31   0.347  -3.698   6.951
  237    H    CYS  32           H        CYS  32   1.830  -1.552   2.571
  238    HA   CYS  32           HA       CYS  32   1.774  -1.642  -0.306
  239    HB2  CYS  32          2HB       CYS  32   2.848   0.382   1.624
  240    HB3  CYS  32          1HB       CYS  32   2.912   0.550  -0.129
  241    H    VAL  33           H        VAL  33   3.404  -2.082  -1.572
  242    HA   VAL  33           HA       VAL  33   5.942  -2.760  -0.334
  243    HB   VAL  33           HB       VAL  33   4.902  -4.696  -1.430
  244   HG11  VAL  33          1HG1      VAL  33   4.822  -3.051  -3.946
  245   HG12  VAL  33          2HG1      VAL  33   3.439  -3.599  -3.000
  246   HG13  VAL  33          3HG1      VAL  33   4.457  -4.774  -3.837
  247   HG21  VAL  33          1HG2      VAL  33   7.222  -3.625  -3.026
  248   HG22  VAL  33          2HG2      VAL  33   6.664  -5.295  -3.045
  249   HG23  VAL  33          3HG2      VAL  33   7.307  -4.604  -1.557
  250    HA   PRO  34           HA       PRO  34   7.352   0.896  -2.326
  251    HB2  PRO  34          2HB       PRO  34  10.025   0.489  -2.044
  252    HB3  PRO  34          1HB       PRO  34   8.990   1.047  -0.726
  253    HG2  PRO  34          2HG       PRO  34  10.030  -1.699  -1.286
  254    HG3  PRO  34          1HG       PRO  34   9.852  -0.862   0.268
  255    HD2  PRO  34          2HD       PRO  34   8.103  -2.736  -0.616
  256    HD3  PRO  34          1HD       PRO  34   7.619  -1.384   0.431
  257    H    ASP  35           H        ASP  35   7.385   1.190  -4.410
  258    HA   ASP  35           HA       ASP  35   8.355  -0.862  -6.224
  259    HB2  ASP  35          2HB       ASP  35   7.275   1.914  -6.777
  260    HB3  ASP  35          1HB       ASP  35   7.644   0.706  -7.999
  261    H    VAL  36           H        VAL  36   9.118   2.216  -4.985
  262    HA   VAL  36           HA       VAL  36  11.301   2.723  -6.683
  263    HB   VAL  36           HB       VAL  36  11.788   4.623  -5.138
  264   HG11  VAL  36          1HG1      VAL  36  10.288   4.922  -7.009
  265   HG12  VAL  36          2HG1      VAL  36   9.732   5.867  -5.623
  266   HG13  VAL  36          3HG1      VAL  36   8.930   4.354  -6.037
  267   HG21  VAL  36          1HG2      VAL  36  11.003   3.623  -3.025
  268   HG22  VAL  36          2HG2      VAL  36   9.348   3.644  -3.634
  269   HG23  VAL  36          3HG2      VAL  36  10.199   5.160  -3.346
  Start of MODEL    5
    1    H1   LEU   1          1HT       LEU   1  14.972   8.897   2.780
    2    H2   LEU   1          2HT       LEU   1  16.406   8.312   2.144
    3    H3   LEU   1          3HT       LEU   1  15.204   7.254   2.709
    4    HA   LEU   1           HA       LEU   1  14.793   9.074   0.438
    5    HB2  LEU   1          2HB       LEU   1  15.340   6.085   0.523
    6    HB3  LEU   1          1HB       LEU   1  14.509   6.832  -0.811
    7    HG   LEU   1           HG       LEU   1  16.818   6.382  -1.368
    8   HD11  LEU   1          1HD1      LEU   1  15.802   8.260  -2.435
    9   HD12  LEU   1          2HD1      LEU   1  17.507   8.586  -2.133
   10   HD13  LEU   1          3HD1      LEU   1  16.274   9.321  -1.112
   11   HD21  LEU   1          1HD2      LEU   1  18.667   7.510  -0.308
   12   HD22  LEU   1          2HD2      LEU   1  17.791   6.535   0.881
   13   HD23  LEU   1          3HD2      LEU   1  17.575   8.284   0.835
   14    HA   PRO   2           HA       PRO   2  10.436   8.653   1.144
   15    HB2  PRO   2          2HB       PRO   2  10.266   7.681  -1.673
   16    HB3  PRO   2          1HB       PRO   2   9.347   8.964  -0.873
   17    HG2  PRO   2          2HG       PRO   2  11.297   9.573  -2.558
   18    HG3  PRO   2          1HG       PRO   2  11.071  10.500  -1.064
   19    HD2  PRO   2          2HD       PRO   2  13.127   8.441  -1.721
   20    HD3  PRO   2          1HD       PRO   2  13.270   9.917  -0.744
   21    H    ARG   3           H        ARG   3   9.195   7.142   1.943
   22    HA   ARG   3           HA       ARG   3   9.733   4.326   1.305
   23    HB2  ARG   3          2HB       ARG   3   8.993   5.545   3.973
   24    HB3  ARG   3          1HB       ARG   3   9.306   3.852   3.644
   25    HG2  ARG   3          2HG       ARG   3  11.620   4.242   3.311
   26    HG3  ARG   3          1HG       ARG   3  11.384   5.991   3.302
   27    HD2  ARG   3          2HD       ARG   3  10.981   4.129   5.643
   28    HD3  ARG   3          1HD       ARG   3  12.286   5.303   5.440
   29    HE   ARG   3           HE       ARG   3   9.450   6.118   5.615
   30   HH11  ARG   3          1HH1      ARG   3  12.780   6.482   6.819
   31   HH12  ARG   3          2HH1      ARG   3  12.410   7.863   7.736
   32   HH21  ARG   3          1HH2      ARG   3   8.997   7.924   6.810
   33   HH22  ARG   3          2HH2      ARG   3  10.206   8.737   7.726
   34    H    CYS   4           H        CYS   4   7.690   3.196   2.612
   35    HA   CYS   4           HA       CYS   4   5.347   4.215   1.264
   36    HB2  CYS   4          2HB       CYS   4   5.504   1.872   3.181
   37    HB3  CYS   4          1HB       CYS   4   4.327   2.154   1.908
   38    H    ASP   5           H        ASP   5   6.277   3.280   4.560
   39    HA   ASP   5           HA       ASP   5   5.622   3.837   6.638
   40    HB2  ASP   5          2HB       ASP   5   5.214   6.521   5.312
   41    HB3  ASP   5          1HB       ASP   5   5.049   6.281   7.052
   42    H    SER   6           H        SER   6   3.692   2.834   4.717
   43    HA   SER   6           HA       SER   6   1.159   4.002   5.268
   44    HB2  SER   6          2HB       SER   6   1.811   1.356   3.992
   45    HB3  SER   6          1HB       SER   6   0.384   2.360   3.736
   46    HG   SER   6           HG       SER   6   1.718   3.922   2.747
   47    HA   PRO   7           HA       PRO   7   0.633   1.453   8.956
   48    HB2  PRO   7          2HB       PRO   7  -1.920   2.245   9.522
   49    HB3  PRO   7          1HB       PRO   7  -0.504   3.210   9.926
   50    HG2  PRO   7          2HG       PRO   7  -2.426   3.536   7.676
   51    HG3  PRO   7          1HG       PRO   7  -1.579   4.766   8.623
   52    HD2  PRO   7          2HD       PRO   7  -0.852   3.970   6.098
   53    HD3  PRO   7          1HD       PRO   7   0.254   4.705   7.276
   54    H    PHE   8           H        PHE   8  -1.472   1.532   6.183
   55    HA   PHE   8           HA       PHE   8  -1.954  -1.263   6.168
   56    HB2  PHE   8          2HB       PHE   8  -4.389  -1.176   6.380
   57    HB3  PHE   8          1HB       PHE   8  -3.679  -0.530   7.852
   58    HD1  PHE   8          1HD       PHE   8  -5.812   0.125   4.994
   59    HD2  PHE   8          2HD       PHE   8  -3.776   1.932   8.261
   60    HE1  PHE   8          1HE       PHE   8  -7.205   2.124   4.744
   61    HE2  PHE   8          2HE       PHE   8  -5.163   3.943   8.009
   62    HZ   PHE   8           HZ       PHE   8  -6.884   4.041   6.247
   63    H    CYS   9           H        CYS   9  -3.697  -1.564   4.207
   64    HA   CYS   9           HA       CYS   9  -4.150   0.581   2.495
   65    HB2  CYS   9          2HB       CYS   9  -1.645   0.258   2.132
   66    HB3  CYS   9          1HB       CYS   9  -2.016  -1.338   1.497
   67    H    SER  10           H        SER  10  -5.165  -0.275   0.460
   68    HA   SER  10           HA       SER  10  -5.902  -3.048   0.374
   69    HB2  SER  10          2HB       SER  10  -8.325  -2.569   0.574
   70    HB3  SER  10          1HB       SER  10  -7.485  -2.127   2.059
   71    HG   SER  10           HG       SER  10  -8.670  -0.425   1.673
   72    H    LEU  11           H        LEU  11  -7.696  -3.086  -1.608
   73    HA   LEU  11           HA       LEU  11  -6.436  -1.603  -3.672
   74    HB2  LEU  11          2HB       LEU  11  -7.982  -2.590  -5.238
   75    HB3  LEU  11          1HB       LEU  11  -7.378  -3.827  -4.160
   76    HG   LEU  11           HG       LEU  11 -10.057  -2.545  -3.742
   77   HD11  LEU  11          1HD1      LEU  11 -10.011  -3.458  -6.028
   78   HD12  LEU  11          2HD1      LEU  11 -11.029  -4.454  -4.988
   79   HD13  LEU  11          3HD1      LEU  11  -9.402  -4.992  -5.409
   80   HD21  LEU  11          1HD2      LEU  11 -10.551  -4.753  -2.708
   81   HD22  LEU  11          2HD2      LEU  11  -9.329  -3.831  -1.870
   82   HD23  LEU  11          3HD2      LEU  11  -8.851  -5.181  -2.914
   83    H    PHE  12           H        PHE  12  -8.935  -1.088  -1.551
   84    HA   PHE  12           HA       PHE  12 -10.268   0.924  -3.131
   85    HB2  PHE  12          2HB       PHE  12 -10.749  -0.015  -0.308
   86    HB3  PHE  12          1HB       PHE  12 -11.700   1.232  -1.099
   87    HD1  PHE  12          1HD       PHE  12 -12.524   0.430  -3.566
   88    HD2  PHE  12          2HD       PHE  12 -11.696  -2.108  -0.245
   89    HE1  PHE  12          1HE       PHE  12 -14.005  -1.289  -4.509
   90    HE2  PHE  12          2HE       PHE  12 -13.168  -3.825  -1.192
   91    HZ   PHE  12           HZ       PHE  12 -14.324  -3.422  -3.327
   92    H    ARG  13           H        ARG  13  -8.022   0.766  -0.435
   93    HA   ARG  13           HA       ARG  13  -7.698   3.651  -0.728
   94    HB2  ARG  13          2HB       ARG  13  -7.598   2.034   1.821
   95    HB3  ARG  13          1HB       ARG  13  -6.802   3.591   1.691
   96    HG2  ARG  13          2HG       ARG  13  -8.893   3.954   2.761
   97    HG3  ARG  13          1HG       ARG  13  -9.053   4.578   1.121
   98    HD2  ARG  13          2HD       ARG  13 -10.108   2.411   0.493
   99    HD3  ARG  13          1HD       ARG  13 -10.057   1.967   2.195
  100    HE   ARG  13           HE       ARG  13 -11.387   4.446   1.528
  101   HH11  ARG  13          1HH1      ARG  13 -11.697   1.033   2.417
  102   HH12  ARG  13          2HH1      ARG  13 -13.374   1.112   2.683
  103   HH21  ARG  13          1HH2      ARG  13 -13.732   4.546   1.898
  104   HH22  ARG  13          2HH2      ARG  13 -14.555   3.147   2.380
  105    H    ILE  14           H        ILE  14  -6.178   3.436  -2.259
  106    HA   ILE  14           HA       ILE  14  -3.734   1.998  -1.546
  107    HB   ILE  14           HB       ILE  14  -2.988   2.450  -3.867
  108   HG12  ILE  14          2HG1      ILE  14  -5.757   3.607  -4.272
  109   HG13  ILE  14          1HG1      ILE  14  -4.267   4.547  -4.236
  110   HG21  ILE  14          1HG2      ILE  14  -5.682   1.124  -3.665
  111   HG22  ILE  14          2HG2      ILE  14  -4.119   0.372  -3.357
  112   HG23  ILE  14          3HG2      ILE  14  -4.528   0.918  -4.981
  113   HD11  ILE  14          1HD1      ILE  14  -3.502   3.363  -6.242
  114   HD12  ILE  14          2HD1      ILE  14  -5.041   4.183  -6.511
  115   HD13  ILE  14          3HD1      ILE  14  -5.003   2.438  -6.259
  116    H    GLY  15           H        GLY  15  -5.002   5.017  -1.221
  117    HA2  GLY  15          2HA       GLY  15  -2.918   6.738  -1.994
  118    HA3  GLY  15          1HA       GLY  15  -4.185   7.113  -0.837
  119    H    LEU  16           H        LEU  16  -3.213   4.674   0.685
  120    HA   LEU  16           HA       LEU  16  -1.518   6.017   2.511
  121    HB2  LEU  16          2HB       LEU  16  -2.098   3.063   2.208
  122    HB3  LEU  16          1HB       LEU  16  -1.169   3.750   3.515
  123    HG   LEU  16           HG       LEU  16  -3.323   3.231   4.342
  124   HD11  LEU  16          1HD1      LEU  16  -4.157   5.347   5.134
  125   HD12  LEU  16          2HD1      LEU  16  -3.181   6.185   3.932
  126   HD13  LEU  16          3HD1      LEU  16  -2.396   5.255   5.215
  127   HD21  LEU  16          1HD2      LEU  16  -4.582   3.130   2.267
  128   HD22  LEU  16          2HD2      LEU  16  -4.508   4.889   2.120
  129   HD23  LEU  16          3HD2      LEU  16  -5.403   4.150   3.450
  130    H    CYS  17           H        CYS  17  -0.930   3.768  -0.117
  131    HA   CYS  17           HA       CYS  17   1.902   3.624   0.424
  132    HB2  CYS  17          2HB       CYS  17   0.235   2.600  -1.866
  133    HB3  CYS  17          1HB       CYS  17   1.956   2.279  -1.694
  134    H    GLY  18           H        GLY  18  -0.277   5.444  -1.457
  135    HA2  GLY  18          2HA       GLY  18  -0.100   7.300  -2.761
  136    HA3  GLY  18          1HA       GLY  18   1.160   7.721  -1.623
  137    H    ASP  19           H        ASP  19   0.910   5.414  -4.336
  138    HA   ASP  19           HA       ASP  19   1.872   5.268  -6.353
  139    HB2  ASP  19          2HB       ASP  19   1.377   7.564  -6.572
  140    HB3  ASP  19          1HB       ASP  19   2.843   8.059  -5.748
  141    H    LYS  20           H        LYS  20   3.733   5.935  -3.678
  142    HA   LYS  20           HA       LYS  20   6.314   5.389  -4.856
  143    HB2  LYS  20          2HB       LYS  20   5.468   5.730  -2.009
  144    HB3  LYS  20          1HB       LYS  20   7.141   5.516  -2.525
  145    HG2  LYS  20          2HG       LYS  20   6.995   7.512  -3.886
  146    HG3  LYS  20          1HG       LYS  20   5.310   7.711  -3.418
  147    HD2  LYS  20          2HD       LYS  20   7.615   7.704  -1.483
  148    HD3  LYS  20          1HD       LYS  20   6.885   9.143  -2.212
  149    HE2  LYS  20          2HE       LYS  20   5.422   7.116  -0.496
  150    HE3  LYS  20          1HE       LYS  20   6.011   8.677   0.062
  151    HZ1  LYS  20          1HZ       LYS  20   3.968   8.315  -2.090
  152    HZ2  LYS  20          2HZ       LYS  20   4.537   9.773  -1.493
  153    HZ3  LYS  20          3HZ       LYS  20   3.668   8.737  -0.483
  154    H    CYS  21           H        CYS  21   3.881   3.681  -3.139
  155    HA   CYS  21           HA       CYS  21   5.427   1.248  -3.479
  156    HB2  CYS  21          2HB       CYS  21   3.840   1.900  -0.986
  157    HB3  CYS  21          1HB       CYS  21   4.736   0.435  -1.315
  158    H    THR  22           H        THR  22   3.918  -0.686  -3.146
  159    HA   THR  22           HA       THR  22   1.319  -0.040  -4.239
  160    HB   THR  22           HB       THR  22   3.225  -2.190  -5.246
  161    HG1  THR  22          1HG       THR  22   3.747  -0.766  -6.764
  162   HG21  THR  22          1HG2      THR  22   0.433  -1.471  -6.185
  163   HG22  THR  22          2HG2      THR  22   0.868  -2.933  -5.303
  164   HG23  THR  22          3HG2      THR  22   1.489  -2.668  -6.933
  165    H    CYS  23           H        CYS  23  -0.179  -1.001  -2.975
  166    HA   CYS  23           HA       CYS  23   0.769  -3.090  -1.221
  167    HB2  CYS  23          2HB       CYS  23  -1.367  -2.822  -0.022
  168    HB3  CYS  23          1HB       CYS  23  -0.419  -1.345  -0.088
  169    H    VAL  24           H        VAL  24   0.080  -5.073  -1.186
  170    HA   VAL  24           HA       VAL  24  -1.413  -5.945  -3.538
  171    HB   VAL  24           HB       VAL  24   0.138  -7.642  -1.557
  172   HG11  VAL  24          1HG1      VAL  24  -0.938  -8.278  -4.302
  173   HG12  VAL  24          2HG1      VAL  24  -1.563  -8.879  -2.767
  174   HG13  VAL  24          3HG1      VAL  24   0.045  -9.358  -3.312
  175   HG21  VAL  24          1HG2      VAL  24   1.022  -6.610  -4.253
  176   HG22  VAL  24          2HG2      VAL  24   1.911  -7.766  -3.258
  177   HG23  VAL  24          3HG2      VAL  24   1.668  -6.115  -2.689
  178    HA   PRO  25           HA       PRO  25  -4.650  -6.389  -0.393
  179    HB2  PRO  25          2HB       PRO  25  -6.544  -6.588  -2.538
  180    HB3  PRO  25          1HB       PRO  25  -6.283  -5.234  -1.439
  181    HG2  PRO  25          2HG       PRO  25  -5.733  -5.189  -4.146
  182    HG3  PRO  25          1HG       PRO  25  -5.000  -4.109  -2.947
  183    HD2  PRO  25          2HD       PRO  25  -3.901  -6.566  -4.228
  184    HD3  PRO  25          1HD       PRO  25  -3.097  -5.045  -3.766
  185    H    LEU  26           H        LEU  26  -5.169  -8.306   0.483
  186    HA   LEU  26           HA       LEU  26  -5.814 -10.431  -1.343
  187    HB2  LEU  26          2HB       LEU  26  -4.560 -12.127  -0.086
  188    HB3  LEU  26          1HB       LEU  26  -3.527 -10.935  -0.826
  189    HG   LEU  26           HG       LEU  26  -4.225 -10.958   2.116
  190   HD11  LEU  26          1HD1      LEU  26  -1.807 -12.077   0.695
  191   HD12  LEU  26          2HD1      LEU  26  -3.055 -13.013   1.515
  192   HD13  LEU  26          3HD1      LEU  26  -1.996 -11.951   2.442
  193   HD21  LEU  26          1HD2      LEU  26  -2.252  -9.522   2.341
  194   HD22  LEU  26          2HD2      LEU  26  -3.433  -8.796   1.245
  195   HD23  LEU  26          3HD2      LEU  26  -1.997  -9.588   0.596
  196    HA   PRO  27           HA       PRO  27  -7.502 -10.303  -2.012
  197    HB2  PRO  27          2HB       PRO  27 -10.337 -10.222  -1.836
  198    HB3  PRO  27          1HB       PRO  27  -9.345 -11.551  -2.440
  199    HG2  PRO  27          2HG       PRO  27 -10.905 -11.669  -0.157
  200    HG3  PRO  27          1HG       PRO  27  -9.511 -12.712  -0.486
  201    HD2  PRO  27          2HD       PRO  27  -9.692 -10.255   1.196
  202    HD3  PRO  27          1HD       PRO  27  -8.825 -11.774   1.516
  203    H    ILE  28           H        ILE  28  -8.955  -8.567   0.639
  204    HA   ILE  28           HA       ILE  28  -9.490  -6.282  -1.136
  205    HB   ILE  28           HB       ILE  28 -10.619  -6.816   1.621
  206   HG12  ILE  28          2HG1      ILE  28 -11.564  -8.363  -0.036
  207   HG13  ILE  28          1HG1      ILE  28 -12.771  -7.203   0.490
  208   HG21  ILE  28          1HG2      ILE  28 -10.412  -4.449   1.220
  209   HG22  ILE  28          2HG2      ILE  28 -12.121  -4.898   1.146
  210   HG23  ILE  28          3HG2      ILE  28 -11.206  -4.609  -0.339
  211   HD11  ILE  28          1HD1      ILE  28 -12.929  -7.608  -1.897
  212   HD12  ILE  28          2HD1      ILE  28 -11.244  -7.144  -2.111
  213   HD13  ILE  28          3HD1      ILE  28 -12.431  -5.942  -1.600
  214    H    PHE  29           H        PHE  29  -8.494  -6.983   2.171
  215    HA   PHE  29           HA       PHE  29  -7.057  -4.475   2.355
  216    HB2  PHE  29          2HB       PHE  29  -8.475  -5.399   4.217
  217    HB3  PHE  29          1HB       PHE  29  -7.360  -6.748   4.335
  218    HD1  PHE  29          1HD       PHE  29  -5.196  -6.480   5.372
  219    HD2  PHE  29          2HD       PHE  29  -7.852  -3.185   4.954
  220    HE1  PHE  29          1HE       PHE  29  -3.858  -5.207   6.977
  221    HE2  PHE  29          2HE       PHE  29  -6.515  -1.906   6.567
  222    HZ   PHE  29           HZ       PHE  29  -4.513  -2.920   7.581
  223    H    GLY  30           H        GLY  30  -4.728  -4.425   2.609
  224    HA2  GLY  30          2HA       GLY  30  -3.403  -6.977   2.305
  225    HA3  GLY  30          1HA       GLY  30  -3.222  -5.843   0.977
  226    H    LEU  31           H        LEU  31  -1.022  -6.239   1.569
  227    HA   LEU  31           HA       LEU  31  -0.104  -4.503   3.743
  228    HB2  LEU  31          2HB       LEU  31   1.995  -5.829   3.672
  229    HB3  LEU  31          1HB       LEU  31   0.599  -6.784   4.109
  230    HG   LEU  31           HG       LEU  31   0.607  -7.497   1.597
  231   HD11  LEU  31          1HD1      LEU  31   2.258  -5.943   0.771
  232   HD12  LEU  31          2HD1      LEU  31   2.807  -7.606   0.559
  233   HD13  LEU  31          3HD1      LEU  31   3.470  -6.617   1.860
  234   HD21  LEU  31          1HD2      LEU  31   2.137  -9.337   2.099
  235   HD22  LEU  31          2HD2      LEU  31   1.011  -9.018   3.415
  236   HD23  LEU  31          3HD2      LEU  31   2.687  -8.477   3.538
  237    H    CYS  32           H        CYS  32   1.652  -3.064   3.237
  238    HA   CYS  32           HA       CYS  32   1.596  -2.367   0.409
  239    HB2  CYS  32          2HB       CYS  32   0.942  -0.652   2.146
  240    HB3  CYS  32          1HB       CYS  32   2.612  -0.707   2.715
  241    H    VAL  33           H        VAL  33   3.291  -2.860  -0.798
  242    HA   VAL  33           HA       VAL  33   5.783  -3.366   0.602
  243    HB   VAL  33           HB       VAL  33   4.874  -5.433  -0.406
  244   HG11  VAL  33          1HG1      VAL  33   4.989  -4.020  -3.046
  245   HG12  VAL  33          2HG1      VAL  33   3.540  -4.535  -2.184
  246   HG13  VAL  33          3HG1      VAL  33   4.668  -5.739  -2.814
  247   HG21  VAL  33          1HG2      VAL  33   7.277  -5.275  -0.332
  248   HG22  VAL  33          2HG2      VAL  33   7.295  -4.428  -1.879
  249   HG23  VAL  33          3HG2      VAL  33   6.786  -6.116  -1.803
  250    HA   PRO  34           HA       PRO  34   7.388   0.245  -1.367
  251    HB2  PRO  34          2HB       PRO  34  10.020  -0.627  -1.574
  252    HB3  PRO  34          1HB       PRO  34   9.316   0.167  -0.160
  253    HG2  PRO  34          2HG       PRO  34   9.704  -2.735  -0.711
  254    HG3  PRO  34          1HG       PRO  34   9.953  -1.849   0.809
  255    HD2  PRO  34          2HD       PRO  34   7.804  -3.340   0.465
  256    HD3  PRO  34          1HD       PRO  34   7.661  -1.747   1.246
  257    H    ASP  35           H        ASP  35   7.107   0.703  -3.351
  258    HA   ASP  35           HA       ASP  35   7.412  -1.317  -5.427
  259    HB2  ASP  35          2HB       ASP  35   5.322   0.019  -5.324
  260    HB3  ASP  35          1HB       ASP  35   6.264   1.481  -5.583
  261    H    VAL  36           H        VAL  36   8.596   1.778  -4.412
  262    HA   VAL  36           HA       VAL  36  10.373   2.097  -6.565
  263    HB   VAL  36           HB       VAL  36  11.458   3.888  -5.142
  264   HG11  VAL  36          1HG1      VAL  36   8.466   4.025  -5.486
  265   HG12  VAL  36          2HG1      VAL  36   9.688   4.459  -6.687
  266   HG13  VAL  36          3HG1      VAL  36   9.522   5.408  -5.212
  267   HG21  VAL  36          1HG2      VAL  36  10.977   2.978  -2.921
  268   HG22  VAL  36          2HG2      VAL  36   9.247   3.191  -3.191
  269   HG23  VAL  36          3HG2      VAL  36  10.301   4.599  -3.080
  Start of MODEL    6
    1    H1   LEU   1          1HT       LEU   1  14.817   5.202  -1.835
    2    H2   LEU   1          2HT       LEU   1  16.038   4.069  -1.604
    3    H3   LEU   1          3HT       LEU   1  15.514   5.048  -0.319
    4    HA   LEU   1           HA       LEU   1  13.895   3.024  -1.685
    5    HB2  LEU   1          2HB       LEU   1  15.067   3.075   1.095
    6    HB3  LEU   1          1HB       LEU   1  14.031   1.824   0.432
    7    HG   LEU   1           HG       LEU   1  16.643   2.551  -0.750
    8   HD11  LEU   1          1HD1      LEU   1  17.032   1.764   1.567
    9   HD12  LEU   1          2HD1      LEU   1  17.566   0.526   0.430
   10   HD13  LEU   1          3HD1      LEU   1  16.022   0.351   1.264
   11   HD21  LEU   1          1HD2      LEU   1  15.220   1.351  -2.245
   12   HD22  LEU   1          2HD2      LEU   1  14.910   0.111  -1.029
   13   HD23  LEU   1          3HD2      LEU   1  16.521   0.277  -1.729
   14    HA   PRO   2           HA       PRO   2  10.888   6.090  -0.231
   15    HB2  PRO   2          2HB       PRO   2   9.056   4.135  -1.484
   16    HB3  PRO   2          1HB       PRO   2   9.230   5.862  -1.802
   17    HG2  PRO   2          2HG       PRO   2  10.108   4.068  -3.565
   18    HG3  PRO   2          1HG       PRO   2  11.024   5.554  -3.248
   19    HD2  PRO   2          2HD       PRO   2  11.509   2.783  -2.189
   20    HD3  PRO   2          1HD       PRO   2  12.694   3.944  -2.816
   21    H    ARG   3           H        ARG   3   9.663   6.179   1.496
   22    HA   ARG   3           HA       ARG   3   8.986   3.675   2.818
   23    HB2  ARG   3          2HB       ARG   3  10.265   6.088   4.121
   24    HB3  ARG   3          1HB       ARG   3   9.591   4.717   4.987
   25    HG2  ARG   3          2HG       ARG   3  11.947   4.654   3.106
   26    HG3  ARG   3          1HG       ARG   3  12.005   4.533   4.868
   27    HD2  ARG   3          2HD       ARG   3  10.715   2.467   4.771
   28    HD3  ARG   3          1HD       ARG   3  10.616   2.594   3.023
   29    HE   ARG   3           HE       ARG   3  13.141   2.257   4.470
   30   HH11  ARG   3          1HH1      ARG   3  11.148   1.657   1.600
   31   HH12  ARG   3          2HH1      ARG   3  12.111   0.354   1.051
   32   HH21  ARG   3          1HH2      ARG   3  14.457   0.490   3.663
   33   HH22  ARG   3          2HH2      ARG   3  14.009  -0.312   2.224
   34    H    CYS   4           H        CYS   4   7.018   3.579   3.405
   35    HA   CYS   4           HA       CYS   4   5.478   6.054   3.784
   36    HB2  CYS   4          2HB       CYS   4   4.454   3.529   2.463
   37    HB3  CYS   4          1HB       CYS   4   3.568   5.036   2.676
   38    H    ASP   5           H        ASP   5   5.534   2.521   4.254
   39    HA   ASP   5           HA       ASP   5   5.048   1.161   5.951
   40    HB2  ASP   5          2HB       ASP   5   5.668   3.629   7.559
   41    HB3  ASP   5          1HB       ASP   5   5.390   2.054   8.292
   42    H    SER   6           H        SER   6   2.854   2.985   4.821
   43    HA   SER   6           HA       SER   6   0.899   3.528   6.660
   44    HB2  SER   6          2HB       SER   6   0.481   2.398   3.879
   45    HB3  SER   6          1HB       SER   6  -0.631   3.430   4.782
   46    HG   SER   6           HG       SER   6   0.478   4.706   3.351
   47    HA   PRO   7           HA       PRO   7   0.278  -0.478   8.400
   48    HB2  PRO   7          2HB       PRO   7  -2.109  -0.004   9.672
   49    HB3  PRO   7          1HB       PRO   7  -0.535   0.502  10.293
   50    HG2  PRO   7          2HG       PRO   7  -2.596   2.088   8.826
   51    HG3  PRO   7          1HG       PRO   7  -1.565   2.574  10.182
   52    HD2  PRO   7          2HD       PRO   7  -1.066   3.287   7.613
   53    HD3  PRO   7          1HD       PRO   7   0.231   3.036   8.806
   54    H    PHE   8           H        PHE   8  -2.551   0.969   6.814
   55    HA   PHE   8           HA       PHE   8  -3.177  -1.675   5.774
   56    HB2  PHE   8          2HB       PHE   8  -5.168   0.253   6.993
   57    HB3  PHE   8          1HB       PHE   8  -5.610  -1.154   6.041
   58    HD1  PHE   8          1HD       PHE   8  -5.102  -3.430   6.917
   59    HD2  PHE   8          2HD       PHE   8  -4.592   0.073   9.284
   60    HE1  PHE   8          1HE       PHE   8  -5.072  -4.811   8.950
   61    HE2  PHE   8          2HE       PHE   8  -4.556  -1.303  11.314
   62    HZ   PHE   8           HZ       PHE   8  -4.797  -3.749  11.152
   63    H    CYS   9           H        CYS   9  -3.984  -1.687   3.765
   64    HA   CYS   9           HA       CYS   9  -4.877   0.657   2.429
   65    HB2  CYS   9          2HB       CYS   9  -2.353   0.748   2.210
   66    HB3  CYS   9          1HB       CYS   9  -2.417  -0.836   1.444
   67    H    SER  10           H        SER  10  -5.627  -0.169   0.207
   68    HA   SER  10           HA       SER  10  -6.065  -3.038   0.115
   69    HB2  SER  10          2HB       SER  10  -8.371  -1.092   0.364
   70    HB3  SER  10          1HB       SER  10  -8.505  -2.828   0.090
   71    HG   SER  10           HG       SER  10  -6.995  -2.616   2.146
   72    H    LEU  11           H        LEU  11  -7.611  -3.430  -1.892
   73    HA   LEU  11           HA       LEU  11  -6.529  -1.931  -4.032
   74    HB2  LEU  11          2HB       LEU  11  -7.807  -3.353  -5.531
   75    HB3  LEU  11          1HB       LEU  11  -7.009  -4.319  -4.318
   76    HG   LEU  11           HG       LEU  11  -9.923  -3.594  -4.131
   77   HD11  LEU  11          1HD1      LEU  11  -8.658  -6.027  -5.406
   78   HD12  LEU  11          2HD1      LEU  11  -9.563  -4.767  -6.244
   79   HD13  LEU  11          3HD1      LEU  11 -10.380  -5.828  -5.095
   80   HD21  LEU  11          1HD2      LEU  11  -9.107  -4.443  -2.037
   81   HD22  LEU  11          2HD2      LEU  11  -8.225  -5.735  -2.850
   82   HD23  LEU  11          3HD2      LEU  11  -9.984  -5.754  -2.820
   83    H    PHE  12           H        PHE  12  -9.290  -1.770  -2.089
   84    HA   PHE  12           HA       PHE  12 -10.867  -0.086  -3.818
   85    HB2  PHE  12          2HB       PHE  12 -11.160  -0.545  -0.839
   86    HB3  PHE  12          1HB       PHE  12 -12.385   0.099  -1.917
   87    HD1  PHE  12          1HD       PHE  12 -11.781  -2.605  -0.047
   88    HD2  PHE  12          2HD       PHE  12 -12.493  -1.688  -4.136
   89    HE1  PHE  12          1HE       PHE  12 -12.600  -4.889  -0.417
   90    HE2  PHE  12          2HE       PHE  12 -13.314  -3.969  -4.504
   91    HZ   PHE  12           HZ       PHE  12 -13.369  -5.576  -2.640
   92    H    ARG  13           H        ARG  13  -8.885   0.277  -0.949
   93    HA   ARG  13           HA       ARG  13  -8.690   3.202  -1.368
   94    HB2  ARG  13          2HB       ARG  13  -8.347   1.564   1.151
   95    HB3  ARG  13          1HB       ARG  13  -8.092   3.289   1.022
   96    HG2  ARG  13          2HG       ARG  13 -10.724   1.860   0.669
   97    HG3  ARG  13          1HG       ARG  13 -10.215   2.758   2.098
   98    HD2  ARG  13          2HD       ARG  13 -10.032   4.793   0.668
   99    HD3  ARG  13          1HD       ARG  13 -10.715   3.861  -0.662
  100    HE   ARG  13           HE       ARG  13 -12.405   3.600   1.504
  101   HH11  ARG  13          1HH1      ARG  13 -11.359   6.118  -0.747
  102   HH12  ARG  13          2HH1      ARG  13 -12.732   7.100  -0.525
  103   HH21  ARG  13          1HH2      ARG  13 -14.328   4.995   1.800
  104   HH22  ARG  13          2HH2      ARG  13 -14.430   6.448   0.908
  105    H    ILE  14           H        ILE  14  -7.129   3.047  -2.861
  106    HA   ILE  14           HA       ILE  14  -4.609   1.811  -2.044
  107    HB   ILE  14           HB       ILE  14  -3.833   2.446  -4.373
  108   HG12  ILE  14          2HG1      ILE  14  -6.764   3.047  -4.817
  109   HG13  ILE  14          1HG1      ILE  14  -5.482   4.250  -4.765
  110   HG21  ILE  14          1HG2      ILE  14  -5.038   0.649  -5.522
  111   HG22  ILE  14          2HG2      ILE  14  -6.208   0.609  -4.204
  112   HG23  ILE  14          3HG2      ILE  14  -4.525   0.185  -3.899
  113   HD11  ILE  14          1HD1      ILE  14  -4.488   3.243  -6.763
  114   HD12  ILE  14          2HD1      ILE  14  -6.152   3.752  -7.046
  115   HD13  ILE  14          3HD1      ILE  14  -5.783   2.045  -6.795
  116    H    GLY  15           H        GLY  15  -6.182   4.636  -1.721
  117    HA2  GLY  15          2HA       GLY  15  -4.140   6.523  -2.347
  118    HA3  GLY  15          1HA       GLY  15  -5.652   6.853  -1.521
  119    H    LEU  16           H        LEU  16  -4.166   4.369   0.032
  120    HA   LEU  16           HA       LEU  16  -3.134   6.085   2.111
  121    HB2  LEU  16          2HB       LEU  16  -3.123   3.091   1.814
  122    HB3  LEU  16          1HB       LEU  16  -2.423   3.907   3.197
  123    HG   LEU  16           HG       LEU  16  -4.506   3.086   3.892
  124   HD11  LEU  16          1HD1      LEU  16  -4.930   5.985   3.258
  125   HD12  LEU  16          2HD1      LEU  16  -4.091   5.321   4.658
  126   HD13  LEU  16          3HD1      LEU  16  -5.817   5.036   4.451
  127   HD21  LEU  16          1HD2      LEU  16  -5.759   4.326   1.458
  128   HD22  LEU  16          2HD2      LEU  16  -6.614   3.459   2.737
  129   HD23  LEU  16          3HD2      LEU  16  -5.466   2.610   1.706
  130    H    CYS  17           H        CYS  17  -1.923   4.763  -0.729
  131    HA   CYS  17           HA       CYS  17   0.819   5.435   0.066
  132    HB2  CYS  17          2HB       CYS  17   0.067   3.090  -1.699
  133    HB3  CYS  17          1HB       CYS  17   1.675   3.521  -1.143
  134    H    GLY  18           H        GLY  18   1.181   7.244  -1.155
  135    HA2  GLY  18          2HA       GLY  18   0.040   7.273  -3.860
  136    HA3  GLY  18          1HA       GLY  18   0.288   8.699  -2.873
  137    H    ASP  19           H        ASP  19   1.663   6.454  -5.039
  138    HA   ASP  19           HA       ASP  19   3.208   6.627  -6.615
  139    HB2  ASP  19          2HB       ASP  19   2.618   8.991  -6.596
  140    HB3  ASP  19          1HB       ASP  19   3.953   9.319  -5.496
  141    H    LYS  20           H        LYS  20   4.075   7.268  -3.470
  142    HA   LYS  20           HA       LYS  20   6.892   6.718  -3.794
  143    HB2  LYS  20          2HB       LYS  20   5.176   6.956  -1.334
  144    HB3  LYS  20          1HB       LYS  20   6.918   6.724  -1.297
  145    HG2  LYS  20          2HG       LYS  20   5.588   9.018  -2.693
  146    HG3  LYS  20          1HG       LYS  20   6.118   9.088  -1.017
  147    HD2  LYS  20          2HD       LYS  20   8.429   8.540  -1.779
  148    HD3  LYS  20          1HD       LYS  20   7.852   8.533  -3.440
  149    HE2  LYS  20          2HE       LYS  20   7.721  10.911  -1.596
  150    HE3  LYS  20          1HE       LYS  20   8.994  10.633  -2.779
  151    HZ1  LYS  20          1HZ       LYS  20   7.333  12.124  -3.615
  152    HZ2  LYS  20          2HZ       LYS  20   6.101  11.010  -3.409
  153    HZ3  LYS  20          3HZ       LYS  20   7.334  10.729  -4.536
  154    H    CYS  21           H        CYS  21   4.178   4.961  -2.387
  155    HA   CYS  21           HA       CYS  21   5.708   2.500  -2.789
  156    HB2  CYS  21          2HB       CYS  21   3.888   3.018  -0.436
  157    HB3  CYS  21          1HB       CYS  21   4.965   1.651  -0.680
  158    H    THR  22           H        THR  22   4.071   0.603  -2.647
  159    HA   THR  22           HA       THR  22   1.463   1.405  -3.638
  160    HB   THR  22           HB       THR  22   3.231  -0.784  -4.811
  161    HG1  THR  22          1HG       THR  22   4.055   0.910  -5.772
  162   HG21  THR  22          1HG2      THR  22   1.482  -0.981  -6.523
  163   HG22  THR  22          2HG2      THR  22   0.540   0.274  -5.717
  164   HG23  THR  22          3HG2      THR  22   0.811  -1.276  -4.918
  165    H    CYS  23           H        CYS  23  -0.139  -0.078  -2.872
  166    HA   CYS  23           HA       CYS  23   0.974  -1.840  -0.869
  167    HB2  CYS  23          2HB       CYS  23  -1.309  -1.952   0.069
  168    HB3  CYS  23          1HB       CYS  23  -0.603  -0.343   0.087
  169    H    VAL  24           H        VAL  24   0.472  -3.916  -0.678
  170    HA   VAL  24           HA       VAL  24  -0.677  -5.098  -3.070
  171    HB   VAL  24           HB       VAL  24   1.632  -5.781  -2.850
  172   HG11  VAL  24          1HG1      VAL  24   1.003  -6.717  -0.060
  173   HG12  VAL  24          2HG1      VAL  24   2.018  -5.346  -0.507
  174   HG13  VAL  24          3HG1      VAL  24   2.521  -6.986  -0.917
  175   HG21  VAL  24          1HG2      VAL  24   0.129  -7.505  -3.647
  176   HG22  VAL  24          2HG2      VAL  24  -0.180  -8.033  -1.992
  177   HG23  VAL  24          3HG2      VAL  24   1.428  -8.226  -2.695
  178    HA   PRO  25           HA       PRO  25  -3.926  -5.959  -0.050
  179    HB2  PRO  25          2HB       PRO  25  -5.522  -6.566  -2.420
  180    HB3  PRO  25          1HB       PRO  25  -5.747  -5.293  -1.215
  181    HG2  PRO  25          2HG       PRO  25  -4.992  -4.771  -3.764
  182    HG3  PRO  25          1HG       PRO  25  -4.489  -3.774  -2.388
  183    HD2  PRO  25          2HD       PRO  25  -2.977  -5.894  -3.851
  184    HD3  PRO  25          1HD       PRO  25  -2.439  -4.307  -3.246
  185    H    LEU  26           H        LEU  26  -4.159  -7.934   0.887
  186    HA   LEU  26           HA       LEU  26  -4.323 -10.210  -0.887
  187    HB2  LEU  26          2HB       LEU  26  -2.855 -11.602   0.500
  188    HB3  LEU  26          1HB       LEU  26  -2.008 -10.251  -0.206
  189    HG   LEU  26           HG       LEU  26  -2.927 -10.272   2.679
  190   HD11  LEU  26          1HD1      LEU  26  -1.442 -12.162   2.303
  191   HD12  LEU  26          2HD1      LEU  26  -0.634 -10.909   3.249
  192   HD13  LEU  26          3HD1      LEU  26  -0.271 -11.094   1.532
  193   HD21  LEU  26          1HD2      LEU  26  -2.367  -8.076   1.737
  194   HD22  LEU  26          2HD2      LEU  26  -0.785  -8.688   1.253
  195   HD23  LEU  26          3HD2      LEU  26  -1.202  -8.571   2.965
  196    HA   PRO  27           HA       PRO  27  -6.031 -10.348  -1.594
  197    HB2  PRO  27          2HB       PRO  27  -8.858 -10.687  -1.473
  198    HB3  PRO  27          1HB       PRO  27  -7.665 -11.843  -2.059
  199    HG2  PRO  27          2HG       PRO  27  -9.222 -12.211   0.175
  200    HG3  PRO  27          1HG       PRO  27  -7.673 -13.019  -0.122
  201    HD2  PRO  27          2HD       PRO  27  -8.273 -10.626   1.565
  202    HD3  PRO  27          1HD       PRO  27  -7.181 -11.988   1.900
  203    H    ILE  28           H        ILE  28  -7.708  -8.817   1.005
  204    HA   ILE  28           HA       ILE  28  -8.589  -6.651  -0.774
  205    HB   ILE  28           HB       ILE  28  -9.604  -7.345   1.996
  206   HG12  ILE  28          2HG1      ILE  28 -10.952  -7.547  -0.712
  207   HG13  ILE  28          1HG1      ILE  28 -10.343  -8.905   0.224
  208   HG21  ILE  28          1HG2      ILE  28  -9.655  -4.947   1.660
  209   HG22  ILE  28          2HG2      ILE  28 -11.300  -5.581   1.583
  210   HG23  ILE  28          3HG2      ILE  28 -10.443  -5.151   0.100
  211   HD11  ILE  28          1HD1      ILE  28 -12.755  -8.700   0.413
  212   HD12  ILE  28          2HD1      ILE  28 -12.581  -7.059   1.033
  213   HD13  ILE  28          3HD1      ILE  28 -11.982  -8.423   1.974
  214    H    PHE  29           H        PHE  29  -7.441  -7.087   2.556
  215    HA   PHE  29           HA       PHE  29  -6.301  -4.422   2.484
  216    HB2  PHE  29          2HB       PHE  29  -6.524  -6.452   4.725
  217    HB3  PHE  29          1HB       PHE  29  -5.782  -4.868   4.892
  218    HD1  PHE  29          1HD       PHE  29  -7.129  -2.876   5.047
  219    HD2  PHE  29          2HD       PHE  29  -8.949  -6.684   4.462
  220    HE1  PHE  29          1HE       PHE  29  -9.317  -1.916   5.612
  221    HE2  PHE  29          2HE       PHE  29 -11.135  -5.727   5.020
  222    HZ   PHE  29           HZ       PHE  29 -11.326  -3.337   5.597
  223    H    GLY  30           H        GLY  30  -4.115  -4.048   2.695
  224    HA2  GLY  30          2HA       GLY  30  -2.312  -6.279   2.971
  225    HA3  GLY  30          1HA       GLY  30  -2.298  -5.481   1.401
  226    H    LEU  31           H        LEU  31  -0.038  -5.405   2.469
  227    HA   LEU  31           HA       LEU  31   0.212  -3.074   4.167
  228    HB2  LEU  31          2HB       LEU  31   2.608  -3.770   4.390
  229    HB3  LEU  31          1HB       LEU  31   1.452  -4.920   5.006
  230    HG   LEU  31           HG       LEU  31   1.805  -6.205   2.815
  231   HD11  LEU  31          1HD1      LEU  31   3.929  -5.878   1.680
  232   HD12  LEU  31          2HD1      LEU  31   4.239  -4.445   2.661
  233   HD13  LEU  31          3HD1      LEU  31   2.890  -4.460   1.524
  234   HD21  LEU  31          1HD2      LEU  31   4.081  -5.928   4.761
  235   HD22  LEU  31          2HD2      LEU  31   3.815  -7.287   3.668
  236   HD23  LEU  31          3HD2      LEU  31   2.653  -6.945   4.950
  237    H    CYS  32           H        CYS  32   2.089  -1.626   3.655
  238    HA   CYS  32           HA       CYS  32   1.812  -0.858   0.844
  239    HB2  CYS  32          2HB       CYS  32   1.061   0.691   2.694
  240    HB3  CYS  32          1HB       CYS  32   2.754   0.803   3.178
  241    H    VAL  33           H        VAL  33   3.538  -1.422  -0.352
  242    HA   VAL  33           HA       VAL  33   6.122  -1.554   1.000
  243    HB   VAL  33           HB       VAL  33   5.218  -3.811   0.609
  244   HG11  VAL  33          1HG1      VAL  33   4.904  -4.717  -1.642
  245   HG12  VAL  33          2HG1      VAL  33   5.156  -3.105  -2.312
  246   HG13  VAL  33          3HG1      VAL  33   3.770  -3.418  -1.268
  247   HG21  VAL  33          1HG2      VAL  33   7.103  -4.786  -0.656
  248   HG22  VAL  33          2HG2      VAL  33   7.622  -3.581   0.521
  249   HG23  VAL  33          3HG2      VAL  33   7.549  -3.166  -1.193
  250    HA   PRO  34           HA       PRO  34   7.354   1.039  -2.444
  251    HB2  PRO  34          2HB       PRO  34  10.056   0.677  -2.194
  252    HB3  PRO  34          1HB       PRO  34   9.147   1.842  -1.227
  253    HG2  PRO  34          2HG       PRO  34  10.086  -0.893  -0.515
  254    HG3  PRO  34          1HG       PRO  34  10.049   0.565   0.493
  255    HD2  PRO  34          2HD       PRO  34   8.222  -1.412   0.706
  256    HD3  PRO  34          1HD       PRO  34   7.815   0.291   1.003
  257    H    ASP  35           H        ASP  35   6.991   0.170  -4.355
  258    HA   ASP  35           HA       ASP  35   7.782  -2.537  -4.989
  259    HB2  ASP  35          2HB       ASP  35   6.567  -2.100  -7.056
  260    HB3  ASP  35          1HB       ASP  35   5.554  -1.902  -5.601
  261    H    VAL  36           H        VAL  36   9.105   0.387  -5.224
  262    HA   VAL  36           HA       VAL  36  10.641  -0.418  -7.510
  263    HB   VAL  36           HB       VAL  36   9.414   1.560  -8.100
  264   HG11  VAL  36          1HG1      VAL  36  10.529   2.923  -5.668
  265   HG12  VAL  36          2HG1      VAL  36   8.859   2.431  -5.934
  266   HG13  VAL  36          3HG1      VAL  36   9.575   3.698  -6.933
  267   HG21  VAL  36          1HG2      VAL  36  11.207   3.171  -8.636
  268   HG22  VAL  36          2HG2      VAL  36  11.628   1.497  -9.009
  269   HG23  VAL  36          3HG2      VAL  36  12.290   2.269  -7.567
  Start of MODEL    7
    1    H1   LEU   1          1HT       LEU   1   7.525   1.585   9.932
    2    H2   LEU   1          2HT       LEU   1   7.100   0.056   9.430
    3    H3   LEU   1          3HT       LEU   1   6.015   0.918  10.377
    4    HA   LEU   1           HA       LEU   1   5.323   0.887   8.111
    5    HB2  LEU   1          2HB       LEU   1   6.580   3.566   8.810
    6    HB3  LEU   1          1HB       LEU   1   5.507   3.317   7.460
    7    HG   LEU   1           HG       LEU   1   3.701   2.714   9.128
    8   HD11  LEU   1          1HD1      LEU   1   5.039   2.153  11.064
    9   HD12  LEU   1          2HD1      LEU   1   3.959   3.495  11.425
   10   HD13  LEU   1          3HD1      LEU   1   5.669   3.799  11.128
   11   HD21  LEU   1          1HD2      LEU   1   3.779   4.875   8.048
   12   HD22  LEU   1          2HD2      LEU   1   4.905   5.467   9.267
   13   HD23  LEU   1          3HD2      LEU   1   3.254   5.049   9.723
   14    HA   PRO   2           HA       PRO   2   8.676   0.369   5.144
   15    HB2  PRO   2          2HB       PRO   2   7.154   0.656   2.912
   16    HB3  PRO   2          1HB       PRO   2   7.181  -0.852   3.833
   17    HG2  PRO   2          2HG       PRO   2   5.152   1.337   3.829
   18    HG3  PRO   2          1HG       PRO   2   4.909  -0.418   3.886
   19    HD2  PRO   2          2HD       PRO   2   4.723   1.149   6.076
   20    HD3  PRO   2          1HD       PRO   2   5.306  -0.526   6.155
   21    H    ARG   3           H        ARG   3   9.472   1.502   3.318
   22    HA   ARG   3           HA       ARG   3   9.869   4.203   4.095
   23    HB2  ARG   3          2HB       ARG   3  10.961   2.525   1.869
   24    HB3  ARG   3          1HB       ARG   3  11.353   4.227   2.073
   25    HG2  ARG   3          2HG       ARG   3  11.813   2.133   4.175
   26    HG3  ARG   3          1HG       ARG   3  13.047   2.705   3.048
   27    HD2  ARG   3          2HD       ARG   3  11.554   4.398   5.067
   28    HD3  ARG   3          1HD       ARG   3  13.223   3.868   5.169
   29    HE   ARG   3           HE       ARG   3  13.486   5.116   2.979
   30   HH11  ARG   3          1HH1      ARG   3  11.179   6.200   5.466
   31   HH12  ARG   3          2HH1      ARG   3  11.375   7.838   5.117
   32   HH21  ARG   3          1HH2      ARG   3  13.694   7.408   2.492
   33   HH22  ARG   3          2HH2      ARG   3  12.791   8.539   3.393
   34    H    CYS   4           H        CYS   4   7.560   2.952   2.526
   35    HA   CYS   4           HA       CYS   4   7.021   4.855   0.440
   36    HB2  CYS   4          2HB       CYS   4   5.181   2.937   1.859
   37    HB3  CYS   4          1HB       CYS   4   4.905   3.692   0.292
   38    H    ASP   5           H        ASP   5   6.733   4.654   3.848
   39    HA   ASP   5           HA       ASP   5   6.027   5.983   5.485
   40    HB2  ASP   5          2HB       ASP   5   6.807   7.892   4.081
   41    HB3  ASP   5          1HB       ASP   5   5.229   7.962   3.317
   42    H    SER   6           H        SER   6   4.212   4.531   3.346
   43    HA   SER   6           HA       SER   6   1.567   5.196   4.231
   44    HB2  SER   6          2HB       SER   6   2.518   2.845   2.588
   45    HB3  SER   6          1HB       SER   6   0.928   3.615   2.562
   46    HG   SER   6           HG       SER   6   1.673   5.226   1.401
   47    HA   PRO   7           HA       PRO   7   2.336   2.246   7.592
   48    HB2  PRO   7          2HB       PRO   7  -0.003   2.624   8.925
   49    HB3  PRO   7          1HB       PRO   7   1.365   3.731   9.048
   50    HG2  PRO   7          2HG       PRO   7  -1.165   4.012   7.507
   51    HG3  PRO   7          1HG       PRO   7  -0.189   5.256   8.297
   52    HD2  PRO   7          2HD       PRO   7  -0.203   4.718   5.578
   53    HD3  PRO   7          1HD       PRO   7   1.092   5.571   6.434
   54    H    PHE   8           H        PHE   8  -0.440   2.306   5.518
   55    HA   PHE   8           HA       PHE   8  -0.581  -0.527   5.403
   56    HB2  PHE   8          2HB       PHE   8  -2.976  -0.679   6.042
   57    HB3  PHE   8          1HB       PHE   8  -2.014  -0.128   7.403
   58    HD1  PHE   8          1HD       PHE   8  -4.616   0.770   4.982
   59    HD2  PHE   8          2HD       PHE   8  -2.244   2.162   8.232
   60    HE1  PHE   8          1HE       PHE   8  -6.114   2.700   5.244
   61    HE2  PHE   8          2HE       PHE   8  -3.746   4.097   8.490
   62    HZ   PHE   8           HZ       PHE   8  -5.678   4.362   6.993
   63    H    CYS   9           H        CYS   9  -2.637  -0.939   3.891
   64    HA   CYS   9           HA       CYS   9  -3.525   1.161   2.261
   65    HB2  CYS   9          2HB       CYS   9  -1.181   0.761   1.347
   66    HB3  CYS   9          1HB       CYS   9  -1.660  -0.897   1.019
   67    H    SER  10           H        SER  10  -4.930  -0.037   0.480
   68    HA   SER  10           HA       SER  10  -5.605  -2.759   1.123
   69    HB2  SER  10          2HB       SER  10  -7.632  -0.533   1.535
   70    HB3  SER  10          1HB       SER  10  -7.959  -2.261   1.648
   71    HG   SER  10           HG       SER  10  -5.893  -1.631   3.210
   72    H    LEU  11           H        LEU  11  -7.477  -3.421  -0.403
   73    HA   LEU  11           HA       LEU  11  -6.878  -2.374  -2.960
   74    HB2  LEU  11          2HB       LEU  11  -8.585  -3.987  -3.818
   75    HB3  LEU  11          1HB       LEU  11  -7.299  -4.655  -2.842
   76    HG   LEU  11           HG       LEU  11  -8.923  -4.770  -0.919
   77   HD11  LEU  11          1HD1      LEU  11 -10.952  -4.249  -3.072
   78   HD12  LEU  11          2HD1      LEU  11 -10.602  -3.219  -1.684
   79   HD13  LEU  11          3HD1      LEU  11 -11.300  -4.821  -1.442
   80   HD21  LEU  11          1HD2      LEU  11  -9.487  -6.389  -3.389
   81   HD22  LEU  11          2HD2      LEU  11  -9.997  -6.809  -1.758
   82   HD23  LEU  11          3HD2      LEU  11  -8.278  -6.731  -2.150
   83    H    PHE  12           H        PHE  12  -9.253  -1.700  -0.689
   84    HA   PHE  12           HA       PHE  12 -10.684   0.031  -2.529
   85    HB2  PHE  12          2HB       PHE  12 -10.932  -0.181   0.487
   86    HB3  PHE  12          1HB       PHE  12 -11.945   0.833  -0.521
   87    HD1  PHE  12          1HD       PHE  12 -12.801  -0.789  -2.700
   88    HD2  PHE  12          2HD       PHE  12 -12.115  -1.937   1.345
   89    HE1  PHE  12          1HE       PHE  12 -14.406  -2.631  -2.951
   90    HE2  PHE  12          2HE       PHE  12 -13.713  -3.786   1.091
   91    HZ   PHE  12           HZ       PHE  12 -14.863  -4.135  -1.058
   92    H    ARG  13           H        ARG  13  -8.825   0.492   0.440
   93    HA   ARG  13           HA       ARG  13  -8.341   3.268  -0.176
   94    HB2  ARG  13          2HB       ARG  13  -7.248   1.585   2.087
   95    HB3  ARG  13          1HB       ARG  13  -7.084   3.321   1.923
   96    HG2  ARG  13          2HG       ARG  13  -9.668   1.833   2.294
   97    HG3  ARG  13          1HG       ARG  13  -8.801   2.736   3.537
   98    HD2  ARG  13          2HD       ARG  13  -9.088   4.785   2.189
   99    HD3  ARG  13          1HD       ARG  13 -10.012   3.847   1.015
  100    HE   ARG  13           HE       ARG  13 -10.943   3.734   3.732
  101   HH11  ARG  13          1HH1      ARG  13 -11.293   5.294   0.579
  102   HH12  ARG  13          2HH1      ARG  13 -12.853   5.890   0.892
  103   HH21  ARG  13          1HH2      ARG  13 -13.115   4.580   4.155
  104   HH22  ARG  13          2HH2      ARG  13 -13.882   5.497   2.943
  105    H    ILE  14           H        ILE  14  -7.280   2.984  -2.129
  106    HA   ILE  14           HA       ILE  14  -4.588   1.820  -2.051
  107    HB   ILE  14           HB       ILE  14  -4.619   2.163  -4.542
  108   HG12  ILE  14          2HG1      ILE  14  -7.530   2.811  -4.067
  109   HG13  ILE  14          1HG1      ILE  14  -6.310   3.973  -4.591
  110   HG21  ILE  14          1HG2      ILE  14  -6.159   0.293  -5.005
  111   HG22  ILE  14          2HG2      ILE  14  -6.801   0.457  -3.364
  112   HG23  ILE  14          3HG2      ILE  14  -5.119  -0.002  -3.610
  113   HD11  ILE  14          1HD1      ILE  14  -7.247   1.549  -6.101
  114   HD12  ILE  14          2HD1      ILE  14  -6.025   2.695  -6.660
  115   HD13  ILE  14          3HD1      ILE  14  -7.700   3.220  -6.444
  116    H    GLY  15           H        GLY  15  -6.025   4.679  -1.525
  117    HA2  GLY  15          2HA       GLY  15  -4.173   6.425  -2.863
  118    HA3  GLY  15          1HA       GLY  15  -5.417   6.899  -1.712
  119    H    LEU  16           H        LEU  16  -3.690   4.456  -0.397
  120    HA   LEU  16           HA       LEU  16  -2.273   6.254   1.349
  121    HB2  LEU  16          2HB       LEU  16  -2.578   3.270   1.321
  122    HB3  LEU  16          1HB       LEU  16  -1.423   4.048   2.373
  123    HG   LEU  16           HG       LEU  16  -3.406   3.485   3.608
  124   HD11  LEU  16          1HD1      LEU  16  -3.264   6.456   3.185
  125   HD12  LEU  16          2HD1      LEU  16  -2.270   5.493   4.279
  126   HD13  LEU  16          3HD1      LEU  16  -4.004   5.630   4.556
  127   HD21  LEU  16          1HD2      LEU  16  -5.588   4.461   3.123
  128   HD22  LEU  16          2HD2      LEU  16  -5.017   3.446   1.792
  129   HD23  LEU  16          3HD2      LEU  16  -4.934   5.202   1.661
  130    H    CYS  17           H        CYS  17  -1.463   4.162  -1.321
  131    HA   CYS  17           HA       CYS  17   1.346   4.896  -0.913
  132    HB2  CYS  17          2HB       CYS  17   0.293   2.530  -2.494
  133    HB3  CYS  17          1HB       CYS  17   1.963   2.900  -2.146
  134    H    GLY  18           H        GLY  18   1.704   6.666  -2.188
  135    HA2  GLY  18          2HA       GLY  18   0.597   6.528  -4.901
  136    HA3  GLY  18          1HA       GLY  18   0.606   8.008  -3.958
  137    H    ASP  19           H        ASP  19   2.021   6.573  -6.431
  138    HA   ASP  19           HA       ASP  19   3.585   7.259  -7.835
  139    HB2  ASP  19          2HB       ASP  19   3.269   9.406  -6.967
  140    HB3  ASP  19          1HB       ASP  19   4.365   9.130  -5.626
  141    H    LYS  20           H        LYS  20   4.503   6.595  -4.681
  142    HA   LYS  20           HA       LYS  20   7.166   5.740  -5.503
  143    HB2  LYS  20          2HB       LYS  20   5.980   6.030  -2.773
  144    HB3  LYS  20          1HB       LYS  20   7.653   5.618  -3.124
  145    HG2  LYS  20          2HG       LYS  20   6.301   8.102  -4.056
  146    HG3  LYS  20          1HG       LYS  20   7.243   8.023  -2.578
  147    HD2  LYS  20          2HD       LYS  20   9.182   7.240  -4.030
  148    HD3  LYS  20          1HD       LYS  20   8.166   7.575  -5.431
  149    HE2  LYS  20          2HE       LYS  20   9.122   9.554  -3.373
  150    HE3  LYS  20          1HE       LYS  20   9.661   9.421  -5.041
  151    HZ1  LYS  20          1HZ       LYS  20   8.137  11.194  -4.895
  152    HZ2  LYS  20          2HZ       LYS  20   6.995  10.258  -4.081
  153    HZ3  LYS  20          3HZ       LYS  20   7.322   9.947  -5.710
  154    H    CYS  21           H        CYS  21   4.248   4.323  -4.001
  155    HA   CYS  21           HA       CYS  21   5.463   1.711  -4.433
  156    HB2  CYS  21          2HB       CYS  21   4.183   2.615  -1.860
  157    HB3  CYS  21          1HB       CYS  21   4.798   1.009  -2.213
  158    H    THR  22           H        THR  22   3.799  -0.023  -4.029
  159    HA   THR  22           HA       THR  22   1.073   0.806  -4.603
  160    HB   THR  22           HB       THR  22   2.593  -1.411  -6.059
  161    HG1  THR  22          1HG       THR  22   2.838  -0.050  -7.714
  162   HG21  THR  22          1HG2      THR  22  -0.174  -0.270  -6.545
  163   HG22  THR  22          2HG2      THR  22   0.175  -1.838  -5.818
  164   HG23  THR  22          3HG2      THR  22   0.603  -1.532  -7.504
  165    H    CYS  23           H        CYS  23  -0.418  -0.819  -3.692
  166    HA   CYS  23           HA       CYS  23   1.006  -2.533  -1.830
  167    HB2  CYS  23          2HB       CYS  23  -1.025  -2.502  -0.436
  168    HB3  CYS  23          1HB       CYS  23  -0.288  -0.924  -0.661
  169    H    VAL  24           H        VAL  24   0.528  -4.581  -1.488
  170    HA   VAL  24           HA       VAL  24  -1.022  -5.946  -3.567
  171    HB   VAL  24           HB       VAL  24   0.927  -7.085  -1.528
  172   HG11  VAL  24          1HG1      VAL  24   0.875  -9.117  -2.900
  173   HG12  VAL  24          2HG1      VAL  24  -0.339  -8.375  -3.942
  174   HG13  VAL  24          3HG1      VAL  24  -0.720  -8.722  -2.256
  175   HG21  VAL  24          1HG2      VAL  24   1.352  -6.518  -4.462
  176   HG22  VAL  24          2HG2      VAL  24   2.495  -7.338  -3.399
  177   HG23  VAL  24          3HG2      VAL  24   2.086  -5.646  -3.117
  178    HA   PRO  25           HA       PRO  25  -3.918  -6.112  -0.067
  179    HB2  PRO  25          2HB       PRO  25  -5.953  -6.808  -2.000
  180    HB3  PRO  25          1HB       PRO  25  -5.790  -5.335  -1.037
  181    HG2  PRO  25          2HG       PRO  25  -5.451  -5.398  -3.753
  182    HG3  PRO  25          1HG       PRO  25  -4.666  -4.221  -2.687
  183    HD2  PRO  25          2HD       PRO  25  -3.561  -6.715  -3.905
  184    HD3  PRO  25          1HD       PRO  25  -2.806  -5.117  -3.686
  185    H    LEU  26           H        LEU  26  -4.151  -7.714   1.173
  186    HA   LEU  26           HA       LEU  26  -5.070 -10.193   0.301
  187    HB2  LEU  26          2HB       LEU  26  -3.001 -11.423   1.336
  188    HB3  LEU  26          1HB       LEU  26  -2.982 -10.835  -0.311
  189    HG   LEU  26           HG       LEU  26  -1.689  -8.815   0.547
  190   HD11  LEU  26          1HD1      LEU  26  -2.125  -8.983   2.911
  191   HD12  LEU  26          2HD1      LEU  26  -0.394  -9.053   2.580
  192   HD13  LEU  26          3HD1      LEU  26  -1.278 -10.526   2.977
  193   HD21  LEU  26          1HD2      LEU  26  -0.406 -11.526   0.726
  194   HD22  LEU  26          2HD2      LEU  26   0.447  -9.995   0.532
  195   HD23  LEU  26          3HD2      LEU  26  -0.641 -10.564  -0.733
  196    HA   PRO  27           HA       PRO  27  -6.814 -10.756   0.693
  197    HB2  PRO  27          2HB       PRO  27  -9.214 -10.263   2.241
  198    HB3  PRO  27          1HB       PRO  27  -8.596 -11.800   1.631
  199    HG2  PRO  27          2HG       PRO  27  -8.685 -11.200   4.276
  200    HG3  PRO  27          1HG       PRO  27  -7.458 -12.265   3.571
  201    HD2  PRO  27          2HD       PRO  27  -7.242  -9.356   4.279
  202    HD3  PRO  27          1HD       PRO  27  -6.095 -10.676   4.598
  203    H    ILE  28           H        ILE  28  -8.407  -8.332   2.806
  204    HA   ILE  28           HA       ILE  28  -8.985  -6.742   0.435
  205    HB   ILE  28           HB       ILE  28  -9.889  -6.308   3.296
  206   HG12  ILE  28          2HG1      ILE  28 -10.840  -8.360   2.404
  207   HG13  ILE  28          1HG1      ILE  28 -12.092  -7.131   2.498
  208   HG21  ILE  28          1HG2      ILE  28 -11.534  -4.741   2.345
  209   HG22  ILE  28          2HG2      ILE  28 -10.801  -4.957   0.758
  210   HG23  ILE  28          3HG2      ILE  28  -9.874  -4.219   2.063
  211   HD11  ILE  28          1HD1      ILE  28 -10.629  -8.000   0.009
  212   HD12  ILE  28          2HD1      ILE  28 -11.862  -6.740   0.083
  213   HD13  ILE  28          3HD1      ILE  28 -12.283  -8.413   0.450
  214    H    PHE  29           H        PHE  29  -7.294  -6.413   3.514
  215    HA   PHE  29           HA       PHE  29  -6.295  -3.831   2.718
  216    HB2  PHE  29          2HB       PHE  29  -5.092  -3.823   4.871
  217    HB3  PHE  29          1HB       PHE  29  -6.785  -4.205   5.113
  218    HD1  PHE  29          1HD       PHE  29  -3.355  -5.380   5.403
  219    HD2  PHE  29          2HD       PHE  29  -7.452  -6.498   5.752
  220    HE1  PHE  29          1HE       PHE  29  -2.705  -7.357   6.696
  221    HE2  PHE  29          2HE       PHE  29  -6.793  -8.477   7.039
  222    HZ   PHE  29           HZ       PHE  29  -4.424  -8.910   7.516
  223    H    GLY  30           H        GLY  30  -3.926  -3.472   2.511
  224    HA2  GLY  30          2HA       GLY  30  -2.593  -5.918   1.646
  225    HA3  GLY  30          1HA       GLY  30  -2.758  -4.570   0.531
  226    H    LEU  31           H        LEU  31  -0.422  -5.789   1.399
  227    HA   LEU  31           HA       LEU  31   0.822  -3.882   3.166
  228    HB2  LEU  31          2HB       LEU  31   2.870  -5.291   2.843
  229    HB3  LEU  31          1HB       LEU  31   1.508  -6.158   3.501
  230    HG   LEU  31           HG       LEU  31   1.140  -6.991   1.068
  231   HD11  LEU  31          1HD1      LEU  31   4.019  -6.150   0.847
  232   HD12  LEU  31          2HD1      LEU  31   2.664  -5.493  -0.068
  233   HD13  LEU  31          3HD1      LEU  31   3.146  -7.173  -0.295
  234   HD21  LEU  31          1HD2      LEU  31   2.714  -8.835   1.413
  235   HD22  LEU  31          2HD2      LEU  31   1.823  -8.430   2.879
  236   HD23  LEU  31          3HD2      LEU  31   3.498  -7.911   2.696
  237    H    CYS  32           H        CYS  32   2.326  -2.373   2.514
  238    HA   CYS  32           HA       CYS  32   2.017  -1.633  -0.281
  239    HB2  CYS  32          2HB       CYS  32   1.598  -0.025   1.645
  240    HB3  CYS  32          1HB       CYS  32   3.337  -0.048   1.924
  241    H    VAL  33           H        VAL  33   3.568  -2.119  -1.712
  242    HA   VAL  33           HA       VAL  33   6.227  -2.666  -0.653
  243    HB   VAL  33           HB       VAL  33   5.160  -4.701  -1.576
  244   HG11  VAL  33          1HG1      VAL  33   3.650  -3.748  -3.186
  245   HG12  VAL  33          2HG1      VAL  33   4.678  -4.956  -3.960
  246   HG13  VAL  33          3HG1      VAL  33   5.003  -3.238  -4.195
  247   HG21  VAL  33          1HG2      VAL  33   7.437  -3.710  -3.290
  248   HG22  VAL  33          2HG2      VAL  33   6.914  -5.389  -3.180
  249   HG23  VAL  33          3HG2      VAL  33   7.571  -4.579  -1.758
  250    HA   PRO  34           HA       PRO  34   7.492   0.940  -2.879
  251    HB2  PRO  34          2HB       PRO  34  10.166   0.275  -3.152
  252    HB3  PRO  34          1HB       PRO  34   9.458   1.034  -1.726
  253    HG2  PRO  34          2HG       PRO  34  10.075  -1.831  -2.238
  254    HG3  PRO  34          1HG       PRO  34  10.306  -0.889  -0.752
  255    HD2  PRO  34          2HD       PRO  34   8.260  -2.587  -1.019
  256    HD3  PRO  34          1HD       PRO  34   8.055  -1.038  -0.171
  257    H    ASP  35           H        ASP  35   7.257   1.381  -4.908
  258    HA   ASP  35           HA       ASP  35   7.570  -0.752  -6.859
  259    HB2  ASP  35          2HB       ASP  35   5.461   0.564  -6.853
  260    HB3  ASP  35          1HB       ASP  35   6.389   2.015  -7.221
  261    H    VAL  36           H        VAL  36   8.402   2.673  -6.568
  262    HA   VAL  36           HA       VAL  36  10.499   2.277  -8.480
  263    HB   VAL  36           HB       VAL  36  10.987   4.757  -8.160
  264   HG11  VAL  36          1HG1      VAL  36   9.602   3.921  -9.989
  265   HG12  VAL  36          2HG1      VAL  36   9.012   5.476  -9.405
  266   HG13  VAL  36          3HG1      VAL  36   8.182   3.987  -8.947
  267   HG21  VAL  36          1HG2      VAL  36   9.229   6.108  -7.069
  268   HG22  VAL  36          2HG2      VAL  36  10.042   5.042  -5.924
  269   HG23  VAL  36          3HG2      VAL  36   8.446   4.616  -6.544
  Start of MODEL    8
    1    H1   LEU   1          1HT       LEU   1  17.325   5.462   4.519
    2    H2   LEU   1          2HT       LEU   1  15.894   5.524   5.436
    3    H3   LEU   1          3HT       LEU   1  16.322   6.824   4.493
    4    HA   LEU   1           HA       LEU   1  15.986   5.630   2.511
    5    HB2  LEU   1          2HB       LEU   1  15.181   3.366   4.348
    6    HB3  LEU   1          1HB       LEU   1  14.856   3.409   2.636
    7    HG   LEU   1           HG       LEU   1  17.610   3.448   3.820
    8   HD11  LEU   1          1HD1      LEU   1  17.745   1.107   3.037
    9   HD12  LEU   1          2HD1      LEU   1  16.045   1.179   2.573
   10   HD13  LEU   1          3HD1      LEU   1  16.505   1.317   4.271
   11   HD21  LEU   1          1HD2      LEU   1  16.632   3.087   1.003
   12   HD22  LEU   1          2HD2      LEU   1  18.308   2.918   1.523
   13   HD23  LEU   1          3HD2      LEU   1  17.505   4.481   1.635
   14    HA   PRO   2           HA       PRO   2  12.080   7.553   3.097
   15    HB2  PRO   2          2HB       PRO   2  11.228   7.450   0.542
   16    HB3  PRO   2          1HB       PRO   2  12.510   8.552   1.052
   17    HG2  PRO   2          2HG       PRO   2  12.722   5.916  -0.345
   18    HG3  PRO   2          1HG       PRO   2  13.634   7.405  -0.634
   19    HD2  PRO   2          2HD       PRO   2  14.630   5.294   0.808
   20    HD3  PRO   2          1HD       PRO   2  15.111   6.973   1.083
   21    H    ARG   3           H        ARG   3  10.323   6.839   3.849
   22    HA   ARG   3           HA       ARG   3   9.273   4.241   2.965
   23    HB2  ARG   3          2HB       ARG   3   8.543   5.830   5.428
   24    HB3  ARG   3          1HB       ARG   3   8.099   4.186   5.037
   25    HG2  ARG   3          2HG       ARG   3  10.423   3.488   5.337
   26    HG3  ARG   3          1HG       ARG   3  10.855   5.153   5.748
   27    HD2  ARG   3          2HD       ARG   3   8.930   3.364   7.238
   28    HD3  ARG   3          1HD       ARG   3  10.519   3.888   7.786
   29    HE   ARG   3           HE       ARG   3   9.639   6.165   7.869
   30   HH11  ARG   3          1HH1      ARG   3   7.274   3.506   7.935
   31   HH12  ARG   3          2HH1      ARG   3   6.043   4.424   8.646
   32   HH21  ARG   3          1HH2      ARG   3   7.924   7.405   8.879
   33   HH22  ARG   3          2HH2      ARG   3   6.394   6.686   9.150
   34    H    CYS   4           H        CYS   4   6.813   4.287   2.992
   35    HA   CYS   4           HA       CYS   4   5.821   6.807   1.921
   36    HB2  CYS   4          2HB       CYS   4   4.444   4.142   2.298
   37    HB3  CYS   4          1HB       CYS   4   3.766   5.531   1.463
   38    H    ASP   5           H        ASP   5   5.917   4.985   4.762
   39    HA   ASP   5           HA       ASP   5   5.145   5.117   6.845
   40    HB2  ASP   5          2HB       ASP   5   5.665   7.575   6.719
   41    HB3  ASP   5          1HB       ASP   5   4.038   7.871   6.119
   42    H    SER   6           H        SER   6   3.747   3.985   4.697
   43    HA   SER   6           HA       SER   6   0.944   4.263   5.431
   44    HB2  SER   6          2HB       SER   6   2.243   2.634   3.235
   45    HB3  SER   6          1HB       SER   6   0.522   2.992   3.406
   46    HG   SER   6           HG       SER   6   1.217   4.474   2.008
   47    HA   PRO   7           HA       PRO   7   1.943   0.679   8.014
   48    HB2  PRO   7          2HB       PRO   7  -0.399   0.640   9.419
   49    HB3  PRO   7          1HB       PRO   7   0.946   1.717   9.805
   50    HG2  PRO   7          2HG       PRO   7  -1.600   2.305   8.373
   51    HG3  PRO   7          1HG       PRO   7  -0.667   3.330   9.473
   52    HD2  PRO   7          2HD       PRO   7  -0.655   3.555   6.728
   53    HD3  PRO   7          1HD       PRO   7   0.650   4.126   7.784
   54    H    PHE   8           H        PHE   8  -0.817   1.128   5.961
   55    HA   PHE   8           HA       PHE   8  -0.874  -1.637   5.274
   56    HB2  PHE   8          2HB       PHE   8  -3.236  -1.999   5.820
   57    HB3  PHE   8          1HB       PHE   8  -2.348  -1.621   7.285
   58    HD1  PHE   8          1HD       PHE   8  -2.763   0.458   8.479
   59    HD2  PHE   8          2HD       PHE   8  -4.887  -0.458   4.907
   60    HE1  PHE   8          1HE       PHE   8  -4.383   2.247   8.975
   61    HE2  PHE   8          2HE       PHE   8  -6.500   1.322   5.400
   62    HZ   PHE   8           HZ       PHE   8  -6.246   2.677   7.435
   63    H    CYS   9           H        CYS   9  -2.852  -1.829   3.668
   64    HA   CYS   9           HA       CYS   9  -3.730   0.580   2.441
   65    HB2  CYS   9          2HB       CYS   9  -1.423   0.168   1.477
   66    HB3  CYS   9          1HB       CYS   9  -2.019  -1.375   0.883
   67    H    SER  10           H        SER  10  -5.233  -0.240   0.544
   68    HA   SER  10           HA       SER  10  -6.071  -2.989   0.764
   69    HB2  SER  10          2HB       SER  10  -7.960  -0.743   1.584
   70    HB3  SER  10          1HB       SER  10  -8.379  -2.451   1.449
   71    HG   SER  10           HG       SER  10  -6.258  -2.240   2.998
   72    H    LEU  11           H        LEU  11  -8.025  -3.268  -0.876
   73    HA   LEU  11           HA       LEU  11  -7.194  -1.921  -3.217
   74    HB2  LEU  11          2HB       LEU  11  -8.885  -3.109  -4.451
   75    HB3  LEU  11          1HB       LEU  11  -8.098  -4.210  -3.346
   76    HG   LEU  11           HG       LEU  11 -10.714  -2.950  -2.634
   77   HD11  LEU  11          1HD1      LEU  11 -10.269  -5.491  -4.218
   78   HD12  LEU  11          2HD1      LEU  11 -10.998  -4.010  -4.836
   79   HD13  LEU  11          3HD1      LEU  11 -11.819  -4.944  -3.584
   80   HD21  LEU  11          1HD2      LEU  11  -9.334  -5.506  -1.878
   81   HD22  LEU  11          2HD2      LEU  11 -10.977  -5.079  -1.415
   82   HD23  LEU  11          3HD2      LEU  11  -9.632  -4.107  -0.835
   83    H    PHE  12           H        PHE  12  -9.750  -1.379  -0.925
   84    HA   PHE  12           HA       PHE  12 -11.008   0.582  -2.650
   85    HB2  PHE  12          2HB       PHE  12 -11.638  -0.059   0.240
   86    HB3  PHE  12          1HB       PHE  12 -12.611   0.908  -0.852
   87    HD1  PHE  12          1HD       PHE  12 -12.438  -2.162   0.663
   88    HD2  PHE  12          2HD       PHE  12 -13.104  -0.448  -3.178
   89    HE1  PHE  12          1HE       PHE  12 -13.663  -4.173  -0.019
   90    HE2  PHE  12          2HE       PHE  12 -14.332  -2.459  -3.860
   91    HZ   PHE  12           HZ       PHE  12 -14.616  -4.327  -2.285
   92    H    ARG  13           H        ARG  13  -8.524   0.446  -0.395
   93    HA   ARG  13           HA       ARG  13  -8.524   3.370  -0.155
   94    HB2  ARG  13          2HB       ARG  13  -7.492   1.461   1.973
   95    HB3  ARG  13          1HB       ARG  13  -7.572   3.208   2.079
   96    HG2  ARG  13          2HG       ARG  13  -9.930   1.338   1.990
   97    HG3  ARG  13          1HG       ARG  13  -9.309   2.160   3.421
   98    HD2  ARG  13          2HD       ARG  13  -9.869   4.308   2.459
   99    HD3  ARG  13          1HD       ARG  13 -10.370   3.529   0.957
  100    HE   ARG  13           HE       ARG  13 -11.751   2.552   3.234
  101   HH11  ARG  13          1HH1      ARG  13 -11.706   5.187   0.863
  102   HH12  ARG  13          2HH1      ARG  13 -13.367   5.527   0.975
  103   HH21  ARG  13          1HH2      ARG  13 -14.072   3.023   3.397
  104   HH22  ARG  13          2HH2      ARG  13 -14.735   4.265   2.452
  105    H    ILE  14           H        ILE  14  -7.276   3.241  -2.060
  106    HA   ILE  14           HA       ILE  14  -4.650   1.976  -1.797
  107    HB   ILE  14           HB       ILE  14  -4.412   2.424  -4.251
  108   HG12  ILE  14          2HG1      ILE  14  -7.341   3.163  -4.074
  109   HG13  ILE  14          1HG1      ILE  14  -6.019   4.283  -4.385
  110   HG21  ILE  14          1HG2      ILE  14  -6.758   0.730  -3.435
  111   HG22  ILE  14          2HG2      ILE  14  -5.065   0.236  -3.482
  112   HG23  ILE  14          3HG2      ILE  14  -5.911   0.631  -4.977
  113   HD11  ILE  14          1HD1      ILE  14  -6.842   1.995  -6.148
  114   HD12  ILE  14          2HD1      ILE  14  -5.541   3.148  -6.468
  115   HD13  ILE  14          3HD1      ILE  14  -7.219   3.699  -6.404
  116    H    GLY  15           H        GLY  15  -6.054   4.834  -1.235
  117    HA2  GLY  15          2HA       GLY  15  -4.169   6.688  -2.267
  118    HA3  GLY  15          1HA       GLY  15  -5.268   6.983  -0.926
  119    H    LEU  16           H        LEU  16  -4.059   4.458   0.266
  120    HA   LEU  16           HA       LEU  16  -2.098   5.665   1.900
  121    HB2  LEU  16          2HB       LEU  16  -2.891   2.786   1.492
  122    HB3  LEU  16          1HB       LEU  16  -1.574   3.229   2.543
  123    HG   LEU  16           HG       LEU  16  -3.520   2.774   3.856
  124   HD11  LEU  16          1HD1      LEU  16  -2.074   4.509   4.678
  125   HD12  LEU  16          2HD1      LEU  16  -3.749   4.816   5.125
  126   HD13  LEU  16          3HD1      LEU  16  -3.009   5.732   3.814
  127   HD21  LEU  16          1HD2      LEU  16  -5.591   4.081   3.688
  128   HD22  LEU  16          2HD2      LEU  16  -5.267   3.186   2.202
  129   HD23  LEU  16          3HD2      LEU  16  -4.944   4.916   2.276
  130    H    CYS  17           H        CYS  17  -1.890   3.473  -0.884
  131    HA   CYS  17           HA       CYS  17   0.918   4.258  -1.041
  132    HB2  CYS  17          2HB       CYS  17  -0.029   1.538  -1.907
  133    HB3  CYS  17          1HB       CYS  17   1.592   2.129  -1.724
  134    H    GLY  18           H        GLY  18   0.427   5.827  -2.477
  135    HA2  GLY  18          2HA       GLY  18  -0.029   4.831  -5.166
  136    HA3  GLY  18          1HA       GLY  18  -0.946   6.218  -4.570
  137    H    ASP  19           H        ASP  19   1.353   5.749  -6.582
  138    HA   ASP  19           HA       ASP  19   2.871   7.014  -7.515
  139    HB2  ASP  19          2HB       ASP  19   1.692   8.871  -7.027
  140    HB3  ASP  19          1HB       ASP  19   2.077   8.871  -5.319
  141    H    LYS  20           H        LYS  20   3.176   6.170  -4.319
  142    HA   LYS  20           HA       LYS  20   6.097   6.459  -4.427
  143    HB2  LYS  20          2HB       LYS  20   4.333   6.394  -1.998
  144    HB3  LYS  20          1HB       LYS  20   6.078   6.669  -2.013
  145    HG2  LYS  20          2HG       LYS  20   5.749   8.651  -3.400
  146    HG3  LYS  20          1HG       LYS  20   4.031   8.369  -3.389
  147    HD2  LYS  20          2HD       LYS  20   3.936   8.635  -1.008
  148    HD3  LYS  20          1HD       LYS  20   5.673   8.930  -0.934
  149    HE2  LYS  20          2HE       LYS  20   4.368  11.047  -0.890
  150    HE3  LYS  20          1HE       LYS  20   5.443  10.938  -2.276
  151    HZ1  LYS  20          1HZ       LYS  20   3.239  11.797  -2.853
  152    HZ2  LYS  20          2HZ       LYS  20   2.514  10.388  -2.349
  153    HZ3  LYS  20          3HZ       LYS  20   3.564  10.377  -3.681
  154    H    CYS  21           H        CYS  21   3.522   4.148  -3.419
  155    HA   CYS  21           HA       CYS  21   5.397   2.023  -3.780
  156    HB2  CYS  21          2HB       CYS  21   4.433   1.138  -1.493
  157    HB3  CYS  21          1HB       CYS  21   5.836   2.196  -1.510
  158    H    THR  22           H        THR  22   4.061  -0.126  -3.433
  159    HA   THR  22           HA       THR  22   1.431   0.368  -4.631
  160    HB   THR  22           HB       THR  22   3.379  -1.869  -5.320
  161    HG1  THR  22          1HG       THR  22   2.648   0.304  -6.992
  162   HG21  THR  22          1HG2      THR  22   0.804  -0.984  -6.657
  163   HG22  THR  22          2HG2      THR  22   1.000  -2.441  -5.685
  164   HG23  THR  22          3HG2      THR  22   1.861  -2.282  -7.217
  165    H    CYS  23           H        CYS  23  -0.228  -1.068  -3.843
  166    HA   CYS  23           HA       CYS  23   0.744  -2.893  -1.800
  167    HB2  CYS  23          2HB       CYS  23  -1.308  -2.540  -0.553
  168    HB3  CYS  23          1HB       CYS  23  -0.371  -1.059  -0.704
  169    H    VAL  24           H        VAL  24  -0.048  -4.861  -1.678
  170    HA   VAL  24           HA       VAL  24  -1.828  -5.662  -3.835
  171    HB   VAL  24           HB       VAL  24   0.318  -6.753  -4.096
  172   HG11  VAL  24          1HG1      VAL  24   1.225  -6.515  -1.861
  173   HG12  VAL  24          2HG1      VAL  24   1.336  -8.196  -2.388
  174   HG13  VAL  24          3HG1      VAL  24   0.082  -7.710  -1.248
  175   HG21  VAL  24          1HG2      VAL  24  -1.654  -8.710  -2.920
  176   HG22  VAL  24          2HG2      VAL  24  -0.286  -9.132  -3.953
  177   HG23  VAL  24          3HG2      VAL  24  -1.606  -8.147  -4.589
  178    HA   PRO  25           HA       PRO  25  -4.592  -6.345  -0.333
  179    HB2  PRO  25          2HB       PRO  25  -6.859  -6.499  -1.798
  180    HB3  PRO  25          1HB       PRO  25  -6.096  -4.959  -1.391
  181    HG2  PRO  25          2HG       PRO  25  -6.020  -6.492  -3.949
  182    HG3  PRO  25          1HG       PRO  25  -6.107  -4.744  -3.696
  183    HD2  PRO  25          2HD       PRO  25  -3.812  -6.099  -4.345
  184    HD3  PRO  25          1HD       PRO  25  -3.846  -4.542  -3.502
  185    H    LEU  26           H        LEU  26  -5.145  -8.195   0.607
  186    HA   LEU  26           HA       LEU  26  -5.915 -10.444  -0.970
  187    HB2  LEU  26          2HB       LEU  26  -4.266 -12.004  -0.071
  188    HB3  LEU  26          1HB       LEU  26  -3.503 -10.740  -0.999
  189    HG   LEU  26           HG       LEU  26  -3.547 -10.839   2.026
  190   HD11  LEU  26          1HD1      LEU  26  -1.387 -11.686   0.092
  191   HD12  LEU  26          2HD1      LEU  26  -2.335 -12.754   1.128
  192   HD13  LEU  26          3HD1      LEU  26  -1.213 -11.599   1.846
  193   HD21  LEU  26          1HD2      LEU  26  -3.165  -8.605   1.129
  194   HD22  LEU  26          2HD2      LEU  26  -1.845  -9.217   0.130
  195   HD23  LEU  26          3HD2      LEU  26  -1.704  -9.233   1.889
  196    HA   PRO  27           HA       PRO  27  -7.787 -10.462  -1.122
  197    HB2  PRO  27          2HB       PRO  27 -10.454 -10.324  -0.022
  198    HB3  PRO  27          1HB       PRO  27  -9.750 -11.608  -1.003
  199    HG2  PRO  27          2HG       PRO  27 -10.428 -11.947   1.613
  200    HG3  PRO  27          1HG       PRO  27  -9.109 -12.838   0.833
  201    HD2  PRO  27          2HD       PRO  27  -8.980 -10.398   2.566
  202    HD3  PRO  27          1HD       PRO  27  -7.970 -11.862   2.616
  203    H    ILE  28           H        ILE  28  -9.030  -8.682   1.720
  204    HA   ILE  28           HA       ILE  28  -9.641  -6.401  -0.018
  205    HB   ILE  28           HB       ILE  28 -10.390  -6.828   2.897
  206   HG12  ILE  28          2HG1      ILE  28 -11.571  -8.414   1.452
  207   HG13  ILE  28          1HG1      ILE  28 -12.686  -7.213   2.090
  208   HG21  ILE  28          1HG2      ILE  28 -11.281  -4.680   0.978
  209   HG22  ILE  28          2HG2      ILE  28 -10.215  -4.470   2.366
  210   HG23  ILE  28          3HG2      ILE  28 -11.904  -4.919   2.612
  211   HD11  ILE  28          1HD1      ILE  28 -12.614  -6.046  -0.075
  212   HD12  ILE  28          2HD1      ILE  28 -13.182  -7.708  -0.218
  213   HD13  ILE  28          3HD1      ILE  28 -11.537  -7.299  -0.697
  214    H    PHE  29           H        PHE  29  -8.146  -7.119   3.081
  215    HA   PHE  29           HA       PHE  29  -6.729  -4.664   3.296
  216    HB2  PHE  29          2HB       PHE  29  -7.400  -6.017   5.254
  217    HB3  PHE  29          1HB       PHE  29  -6.389  -7.338   4.693
  218    HD1  PHE  29          1HD       PHE  29  -6.473  -4.087   6.340
  219    HD2  PHE  29          2HD       PHE  29  -3.960  -7.219   4.924
  220    HE1  PHE  29          1HE       PHE  29  -4.616  -3.206   7.684
  221    HE2  PHE  29          2HE       PHE  29  -2.097  -6.338   6.262
  222    HZ   PHE  29           HZ       PHE  29  -2.419  -4.333   7.645
  223    H    GLY  30           H        GLY  30  -4.579  -4.284   2.692
  224    HA2  GLY  30          2HA       GLY  30  -3.232  -6.528   1.428
  225    HA3  GLY  30          1HA       GLY  30  -3.450  -5.010   0.557
  226    H    LEU  31           H        LEU  31  -1.047  -6.246   1.147
  227    HA   LEU  31           HA       LEU  31   0.114  -4.526   3.191
  228    HB2  LEU  31          2HB       LEU  31   1.288  -6.826   1.641
  229    HB3  LEU  31          1HB       LEU  31   2.158  -5.878   2.829
  230    HG   LEU  31           HG       LEU  31  -0.238  -7.620   3.386
  231   HD11  LEU  31          1HD1      LEU  31   1.373  -8.993   4.600
  232   HD12  LEU  31          2HD1      LEU  31   2.679  -7.957   4.026
  233   HD13  LEU  31          3HD1      LEU  31   1.738  -8.908   2.876
  234   HD21  LEU  31          1HD2      LEU  31   0.262  -7.160   5.743
  235   HD22  LEU  31          2HD2      LEU  31  -0.172  -5.691   4.879
  236   HD23  LEU  31          3HD2      LEU  31   1.520  -6.027   5.257
  237    H    CYS  32           H        CYS  32   1.660  -3.086   2.729
  238    HA   CYS  32           HA       CYS  32   1.708  -2.209  -0.041
  239    HB2  CYS  32          2HB       CYS  32   1.027  -0.702   1.873
  240    HB3  CYS  32          1HB       CYS  32   2.716  -0.768   2.388
  241    H    VAL  33           H        VAL  33   3.671  -1.876  -1.098
  242    HA   VAL  33           HA       VAL  33   6.092  -2.480   0.308
  243    HB   VAL  33           HB       VAL  33   5.373  -4.696  -0.455
  244   HG11  VAL  33          1HG1      VAL  33   5.156  -5.266  -2.827
  245   HG12  VAL  33          2HG1      VAL  33   5.319  -3.561  -3.241
  246   HG13  VAL  33          3HG1      VAL  33   3.934  -4.108  -2.298
  247   HG21  VAL  33          1HG2      VAL  33   7.764  -4.260  -0.447
  248   HG22  VAL  33          2HG2      VAL  33   7.675  -3.647  -2.099
  249   HG23  VAL  33          3HG2      VAL  33   7.341  -5.348  -1.770
  250    HA   PRO  34           HA       PRO  34   7.306   0.673  -2.641
  251    HB2  PRO  34          2HB       PRO  34   9.898   0.876  -1.804
  252    HB3  PRO  34          1HB       PRO  34   8.565   1.670  -0.960
  253    HG2  PRO  34          2HG       PRO  34  10.021  -0.839  -0.292
  254    HG3  PRO  34          1HG       PRO  34   9.390   0.409   0.795
  255    HD2  PRO  34          2HD       PRO  34   8.163  -1.999   0.329
  256    HD3  PRO  34          1HD       PRO  34   7.300  -0.536   0.839
  257    H    ASP  35           H        ASP  35   7.633  -0.010  -4.652
  258    HA   ASP  35           HA       ASP  35   9.083  -2.462  -5.145
  259    HB2  ASP  35          2HB       ASP  35   7.002  -2.024  -6.393
  260    HB3  ASP  35          1HB       ASP  35   7.762  -0.592  -7.089
  261    H    VAL  36           H        VAL  36   9.358   0.898  -6.113
  262    HA   VAL  36           HA       VAL  36  12.045   0.300  -6.975
  263    HB   VAL  36           HB       VAL  36  11.968   2.589  -8.120
  264   HG11  VAL  36          1HG1      VAL  36  10.651   1.733 -10.020
  265   HG12  VAL  36          2HG1      VAL  36  10.025   0.450  -8.983
  266   HG13  VAL  36          3HG1      VAL  36  11.745   0.518  -9.360
  267   HG21  VAL  36          1HG2      VAL  36   9.742   3.507  -8.628
  268   HG22  VAL  36          2HG2      VAL  36  10.050   3.533  -6.889
  269   HG23  VAL  36          3HG2      VAL  36   9.004   2.294  -7.579
  Start of MODEL    9
    1    H1   LEU   1          1HT       LEU   1  15.611   6.929   0.921
    2    H2   LEU   1          2HT       LEU   1  15.301   8.167  -0.150
    3    H3   LEU   1          3HT       LEU   1  16.327   6.927  -0.616
    4    HA   LEU   1           HA       LEU   1  14.182   6.695  -1.650
    5    HB2  LEU   1          2HB       LEU   1  14.611   4.688   0.569
    6    HB3  LEU   1          1HB       LEU   1  13.511   4.460  -0.772
    7    HG   LEU   1           HG       LEU   1  16.488   4.710  -0.951
    8   HD11  LEU   1          1HD1      LEU   1  15.795   2.602   0.050
    9   HD12  LEU   1          2HD1      LEU   1  16.404   2.320  -1.583
   10   HD13  LEU   1          3HD1      LEU   1  14.668   2.323  -1.277
   11   HD21  LEU   1          1HD2      LEU   1  15.453   5.583  -2.955
   12   HD22  LEU   1          2HD2      LEU   1  14.440   4.149  -3.077
   13   HD23  LEU   1          3HD2      LEU   1  16.185   4.015  -3.304
   14    HA   PRO   2           HA       PRO   2  10.682   8.131   0.723
   15    HB2  PRO   2          2HB       PRO   2   8.720   7.251  -0.893
   16    HB3  PRO   2          1HB       PRO   2   9.755   8.602  -1.373
   17    HG2  PRO   2          2HG       PRO   2   9.905   5.720  -2.184
   18    HG3  PRO   2          1HG       PRO   2  10.073   7.173  -3.188
   19    HD2  PRO   2          2HD       PRO   2  12.237   5.759  -2.266
   20    HD3  PRO   2          1HD       PRO   2  12.277   7.504  -2.550
   21    H    ARG   3           H        ARG   3   9.047   7.380   1.977
   22    HA   ARG   3           HA       ARG   3   9.265   4.522   2.581
   23    HB2  ARG   3          2HB       ARG   3   8.242   6.788   4.283
   24    HB3  ARG   3          1HB       ARG   3   8.263   5.101   4.740
   25    HG2  ARG   3          2HG       ARG   3  10.734   5.138   4.561
   26    HG3  ARG   3          1HG       ARG   3  10.632   6.879   4.264
   27    HD2  ARG   3          2HD       ARG   3  11.065   6.546   6.591
   28    HD3  ARG   3          1HD       ARG   3   9.403   7.109   6.420
   29    HE   ARG   3           HE       ARG   3  10.213   4.330   6.918
   30   HH11  ARG   3          1HH1      ARG   3   7.702   6.883   7.249
   31   HH12  ARG   3          2HH1      ARG   3   6.804   5.973   8.368
   32   HH21  ARG   3          1HH2      ARG   3   8.885   3.164   8.506
   33   HH22  ARG   3          2HH2      ARG   3   7.469   3.902   9.106
   34    H    CYS   4           H        CYS   4   7.184   3.628   3.493
   35    HA   CYS   4           HA       CYS   4   5.093   4.144   1.576
   36    HB2  CYS   4          2HB       CYS   4   5.156   2.157   3.861
   37    HB3  CYS   4          1HB       CYS   4   4.087   2.129   2.463
   38    H    ASP   5           H        ASP   5   5.688   4.351   5.038
   39    HA   ASP   5           HA       ASP   5   4.823   5.526   6.729
   40    HB2  ASP   5          2HB       ASP   5   3.947   7.301   4.468
   41    HB3  ASP   5          1HB       ASP   5   3.562   7.698   6.137
   42    H    SER   6           H        SER   6   3.122   3.441   5.389
   43    HA   SER   6           HA       SER   6   0.780   3.914   7.002
   44    HB2  SER   6          2HB       SER   6   0.609   3.366   4.019
   45    HB3  SER   6          1HB       SER   6  -0.753   3.268   5.134
   46    HG   SER   6           HG       SER   6   0.789   5.550   4.470
   47    HA   PRO   7           HA       PRO   7   1.675  -0.334   7.863
   48    HB2  PRO   7          2HB       PRO   7  -0.832  -1.126   8.719
   49    HB3  PRO   7          1HB       PRO   7   0.339  -0.275   9.729
   50    HG2  PRO   7          2HG       PRO   7  -2.027   0.799   8.255
   51    HG3  PRO   7          1HG       PRO   7  -1.404   1.250   9.849
   52    HD2  PRO   7          2HD       PRO   7  -0.986   2.751   7.642
   53    HD3  PRO   7          1HD       PRO   7   0.203   2.649   8.961
   54    H    PHE   8           H        PHE   8  -1.605  -0.037   6.480
   55    HA   PHE   8           HA       PHE   8  -0.882  -1.899   4.351
   56    HB2  PHE   8          2HB       PHE   8  -3.384  -2.132   6.057
   57    HB3  PHE   8          1HB       PHE   8  -3.026  -3.086   4.631
   58    HD1  PHE   8          1HD       PHE   8  -0.721  -4.408   4.802
   59    HD2  PHE   8          2HD       PHE   8  -3.039  -3.061   8.095
   60    HE1  PHE   8          1HE       PHE   8   0.307  -6.129   6.229
   61    HE2  PHE   8          2HE       PHE   8  -2.018  -4.772   9.522
   62    HZ   PHE   8           HZ       PHE   8  -0.336  -6.312   8.585
   63    H    CYS   9           H        CYS   9  -2.787  -1.898   2.798
   64    HA   CYS   9           HA       CYS   9  -4.291   0.613   2.916
   65    HB2  CYS   9          2HB       CYS   9  -4.050   0.944   0.544
   66    HB3  CYS   9          1HB       CYS   9  -2.428   0.656   1.158
   67    H    SER  10           H        SER  10  -5.972  -0.006   0.722
   68    HA   SER  10           HA       SER  10  -6.844  -2.726   1.083
   69    HB2  SER  10          2HB       SER  10  -8.649  -0.346   1.646
   70    HB3  SER  10          1HB       SER  10  -9.154  -2.037   1.613
   71    HG   SER  10           HG       SER  10  -7.091  -1.902   3.206
   72    H    LEU  11           H        LEU  11  -8.498  -3.217  -0.623
   73    HA   LEU  11           HA       LEU  11  -7.729  -2.111  -3.088
   74    HB2  LEU  11          2HB       LEU  11  -9.535  -3.451  -4.107
   75    HB3  LEU  11          1HB       LEU  11  -8.589  -4.360  -2.954
   76    HG   LEU  11           HG       LEU  11 -10.540  -3.867  -1.311
   77   HD11  LEU  11          1HD1      LEU  11 -11.944  -3.431  -3.933
   78   HD12  LEU  11          2HD1      LEU  11 -11.711  -2.238  -2.657
   79   HD13  LEU  11          3HD1      LEU  11 -12.723  -3.653  -2.367
   80   HD21  LEU  11          1HD2      LEU  11 -11.704  -5.865  -2.033
   81   HD22  LEU  11          2HD2      LEU  11  -9.958  -6.083  -2.214
   82   HD23  LEU  11          3HD2      LEU  11 -10.960  -5.745  -3.621
   83    H    PHE  12           H        PHE  12 -10.069  -1.149  -0.872
   84    HA   PHE  12           HA       PHE  12 -11.404   0.731  -2.599
   85    HB2  PHE  12          2HB       PHE  12 -11.402   0.506   0.427
   86    HB3  PHE  12          1HB       PHE  12 -12.416   1.605  -0.492
   87    HD1  PHE  12          1HD       PHE  12 -14.163   0.655  -2.015
   88    HD2  PHE  12          2HD       PHE  12 -12.028  -1.739   0.788
   89    HE1  PHE  12          1HE       PHE  12 -15.901  -1.070  -2.166
   90    HE2  PHE  12          2HE       PHE  12 -13.764  -3.470   0.627
   91    HZ   PHE  12           HZ       PHE  12 -15.700  -3.139  -0.841
   92    H    ARG  13           H        ARG  13  -9.151   0.950   0.125
   93    HA   ARG  13           HA       ARG  13  -8.455   3.680  -0.694
   94    HB2  ARG  13          2HB       ARG  13  -7.989   2.293   1.939
   95    HB3  ARG  13          1HB       ARG  13  -7.562   3.956   1.568
   96    HG2  ARG  13          2HG       ARG  13 -10.322   2.777   1.836
   97    HG3  ARG  13          1HG       ARG  13  -9.538   3.932   2.912
   98    HD2  ARG  13          2HD       ARG  13 -10.439   4.382   0.075
   99    HD3  ARG  13          1HD       ARG  13 -11.124   5.097   1.531
  100    HE   ARG  13           HE       ARG  13  -8.719   6.052   1.720
  101   HH11  ARG  13          1HH1      ARG  13 -10.710   5.724  -1.202
  102   HH12  ARG  13          2HH1      ARG  13  -9.914   6.957  -2.049
  103   HH21  ARG  13          1HH2      ARG  13  -7.639   7.784   0.523
  104   HH22  ARG  13          2HH2      ARG  13  -8.168   8.150  -1.064
  105    H    ILE  14           H        ILE  14  -7.006   3.122  -2.293
  106    HA   ILE  14           HA       ILE  14  -4.635   1.625  -1.458
  107    HB   ILE  14           HB       ILE  14  -3.937   1.784  -3.850
  108   HG12  ILE  14          2HG1      ILE  14  -6.690   2.972  -4.272
  109   HG13  ILE  14          1HG1      ILE  14  -5.171   3.848  -4.427
  110   HG21  ILE  14          1HG2      ILE  14  -5.585   0.188  -4.726
  111   HG22  ILE  14          2HG2      ILE  14  -6.637   0.553  -3.353
  112   HG23  ILE  14          3HG2      ILE  14  -5.065  -0.199  -3.085
  113   HD11  ILE  14          1HD1      ILE  14  -4.544   2.386  -6.287
  114   HD12  ILE  14          2HD1      ILE  14  -6.056   3.244  -6.590
  115   HD13  ILE  14          3HD1      ILE  14  -6.083   1.539  -6.121
  116    H    GLY  15           H        GLY  15  -5.799   4.636  -1.417
  117    HA2  GLY  15          2HA       GLY  15  -3.675   6.261  -2.312
  118    HA3  GLY  15          1HA       GLY  15  -4.976   6.753  -1.241
  119    H    LEU  16           H        LEU  16  -3.802   4.259   0.339
  120    HA   LEU  16           HA       LEU  16  -2.172   5.775   2.119
  121    HB2  LEU  16          2HB       LEU  16  -2.660   2.807   1.891
  122    HB3  LEU  16          1HB       LEU  16  -1.596   3.485   3.100
  123    HG   LEU  16           HG       LEU  16  -3.596   2.988   4.188
  124   HD11  LEU  16          1HD1      LEU  16  -2.718   5.108   4.851
  125   HD12  LEU  16          2HD1      LEU  16  -4.475   5.097   4.967
  126   HD13  LEU  16          3HD1      LEU  16  -3.688   5.931   3.627
  127   HD21  LEU  16          1HD2      LEU  16  -5.080   4.385   1.981
  128   HD22  LEU  16          2HD2      LEU  16  -5.815   3.774   3.463
  129   HD23  LEU  16          3HD2      LEU  16  -5.072   2.655   2.319
  130    H    CYS  17           H        CYS  17  -1.562   3.484  -0.491
  131    HA   CYS  17           HA       CYS  17   1.237   4.282  -0.372
  132    HB2  CYS  17          2HB       CYS  17   0.274   1.500  -1.072
  133    HB3  CYS  17          1HB       CYS  17   1.928   2.062  -1.084
  134    H    GLY  18           H        GLY  18   0.711   5.842  -1.899
  135    HA2  GLY  18          2HA       GLY  18   0.623   4.702  -4.578
  136    HA3  GLY  18          1HA       GLY  18  -0.363   6.107  -4.154
  137    H    ASP  19           H        ASP  19   2.269   5.374  -5.766
  138    HA   ASP  19           HA       ASP  19   4.112   6.397  -6.482
  139    HB2  ASP  19          2HB       ASP  19   2.626   8.302  -6.705
  140    HB3  ASP  19          1HB       ASP  19   2.989   8.829  -5.070
  141    H    LYS  20           H        LYS  20   3.589   5.927  -3.325
  142    HA   LYS  20           HA       LYS  20   6.269   6.654  -2.418
  143    HB2  LYS  20          2HB       LYS  20   3.881   5.580  -0.931
  144    HB3  LYS  20          1HB       LYS  20   5.384   6.141  -0.203
  145    HG2  LYS  20          2HG       LYS  20   5.000   8.364  -0.989
  146    HG3  LYS  20          1HG       LYS  20   3.591   7.837  -1.893
  147    HD2  LYS  20          2HD       LYS  20   2.488   7.196   0.136
  148    HD3  LYS  20          1HD       LYS  20   3.872   7.730   1.096
  149    HE2  LYS  20          2HE       LYS  20   2.084   9.429   1.056
  150    HE3  LYS  20          1HE       LYS  20   3.573  10.015   0.322
  151    HZ1  LYS  20          1HZ       LYS  20   1.621  10.622  -0.973
  152    HZ2  LYS  20          2HZ       LYS  20   1.177   9.032  -1.164
  153    HZ3  LYS  20          3HZ       LYS  20   2.592   9.602  -1.886
  154    H    CYS  21           H        CYS  21   3.994   3.907  -2.317
  155    HA   CYS  21           HA       CYS  21   6.091   2.014  -2.842
  156    HB2  CYS  21          2HB       CYS  21   4.291   1.869  -0.410
  157    HB3  CYS  21          1HB       CYS  21   5.335   0.581  -0.969
  158    H    THR  22           H        THR  22   4.719  -0.255  -2.742
  159    HA   THR  22           HA       THR  22   2.285   0.340  -4.208
  160    HB   THR  22           HB       THR  22   4.389  -1.762  -4.773
  161    HG1  THR  22          1HG       THR  22   4.951   0.272  -5.474
  162   HG21  THR  22          1HG2      THR  22   3.017  -2.341  -6.763
  163   HG22  THR  22          2HG2      THR  22   1.755  -1.237  -6.211
  164   HG23  THR  22          3HG2      THR  22   2.153  -2.669  -5.265
  165    H    CYS  23           H        CYS  23   0.510  -0.771  -3.460
  166    HA   CYS  23           HA       CYS  23   1.139  -2.935  -1.641
  167    HB2  CYS  23          2HB       CYS  23  -0.766  -2.320  -0.257
  168    HB3  CYS  23          1HB       CYS  23   0.393  -1.006  -0.360
  169    H    VAL  24           H        VAL  24   0.225  -4.752  -1.968
  170    HA   VAL  24           HA       VAL  24  -1.641  -5.023  -4.204
  171    HB   VAL  24           HB       VAL  24  -0.088  -7.133  -2.666
  172   HG11  VAL  24          1HG1      VAL  24  -2.068  -8.047  -3.711
  173   HG12  VAL  24          2HG1      VAL  24  -0.623  -8.620  -4.544
  174   HG13  VAL  24          3HG1      VAL  24  -1.606  -7.345  -5.260
  175   HG21  VAL  24          1HG2      VAL  24   1.390  -7.246  -4.640
  176   HG22  VAL  24          2HG2      VAL  24   1.456  -5.682  -3.830
  177   HG23  VAL  24          3HG2      VAL  24   0.544  -5.858  -5.328
  178    HA   PRO  25           HA       PRO  25  -4.575  -5.671  -0.786
  179    HB2  PRO  25          2HB       PRO  25  -6.671  -5.869  -2.779
  180    HB3  PRO  25          1HB       PRO  25  -6.390  -4.593  -1.592
  181    HG2  PRO  25          2HG       PRO  25  -6.071  -4.237  -4.285
  182    HG3  PRO  25          1HG       PRO  25  -5.186  -3.312  -3.058
  183    HD2  PRO  25          2HD       PRO  25  -4.284  -5.660  -4.681
  184    HD3  PRO  25          1HD       PRO  25  -3.406  -4.179  -4.228
  185    H    LEU  26           H        LEU  26  -4.722  -7.621   0.106
  186    HA   LEU  26           HA       LEU  26  -5.974  -9.723  -1.342
  187    HB2  LEU  26          2HB       LEU  26  -4.286 -11.441  -0.910
  188    HB3  LEU  26          1HB       LEU  26  -3.667 -10.196  -1.969
  189    HG   LEU  26           HG       LEU  26  -2.999 -10.281   0.984
  190   HD11  LEU  26          1HD1      LEU  26  -1.505 -11.526  -1.316
  191   HD12  LEU  26          2HD1      LEU  26  -2.319 -12.406  -0.012
  192   HD13  LEU  26          3HD1      LEU  26  -0.921 -11.382   0.341
  193   HD21  LEU  26          1HD2      LEU  26  -1.034  -9.035   0.280
  194   HD22  LEU  26          2HD2      LEU  26  -2.522  -8.198  -0.167
  195   HD23  LEU  26          3HD2      LEU  26  -1.601  -9.075  -1.388
  196    HA   PRO  27           HA       PRO  27  -7.752 -10.258  -1.060
  197    HB2  PRO  27          2HB       PRO  27 -10.133 -10.099   0.521
  198    HB3  PRO  27          1HB       PRO  27  -9.497 -11.505  -0.329
  199    HG2  PRO  27          2HG       PRO  27  -9.655 -11.272   2.419
  200    HG3  PRO  27          1HG       PRO  27  -8.569 -12.367   1.556
  201    HD2  PRO  27          2HD       PRO  27  -7.975  -9.712   2.805
  202    HD3  PRO  27          1HD       PRO  27  -6.979 -11.176   2.726
  203    H    ILE  28           H        ILE  28  -9.047  -8.361   1.688
  204    HA   ILE  28           HA       ILE  28  -9.687  -6.237  -0.183
  205    HB   ILE  28           HB       ILE  28 -10.460  -6.485   2.744
  206   HG12  ILE  28          2HG1      ILE  28 -12.102  -6.931   0.240
  207   HG13  ILE  28          1HG1      ILE  28 -11.484  -8.207   1.282
  208   HG21  ILE  28          1HG2      ILE  28 -10.360  -4.152   2.013
  209   HG22  ILE  28          2HG2      ILE  28 -12.026  -4.656   2.289
  210   HG23  ILE  28          3HG2      ILE  28 -11.408  -4.530   0.645
  211   HD11  ILE  28          1HD1      ILE  28 -13.454  -6.082   2.080
  212   HD12  ILE  28          2HD1      ILE  28 -12.871  -7.397   3.105
  213   HD13  ILE  28          3HD1      ILE  28 -13.842  -7.754   1.676
  214    H    PHE  29           H        PHE  29  -7.817  -6.790   2.784
  215    HA   PHE  29           HA       PHE  29  -6.753  -4.104   2.628
  216    HB2  PHE  29          2HB       PHE  29  -5.589  -4.563   4.689
  217    HB3  PHE  29          1HB       PHE  29  -7.187  -5.263   4.864
  218    HD1  PHE  29          1HD       PHE  29  -7.454  -7.748   4.782
  219    HD2  PHE  29          2HD       PHE  29  -3.624  -5.883   4.753
  220    HE1  PHE  29          1HE       PHE  29  -6.399  -9.881   5.400
  221    HE2  PHE  29          2HE       PHE  29  -2.574  -8.009   5.368
  222    HZ   PHE  29           HZ       PHE  29  -3.959 -10.011   5.691
  223    H    GLY  30           H        GLY  30  -4.483  -3.726   2.295
  224    HA2  GLY  30          2HA       GLY  30  -3.259  -5.928   0.776
  225    HA3  GLY  30          1HA       GLY  30  -3.277  -4.275   0.157
  226    H    LEU  31           H        LEU  31  -1.195  -6.178   0.743
  227    HA   LEU  31           HA       LEU  31   0.297  -5.129   2.991
  228    HB2  LEU  31          2HB       LEU  31   1.110  -7.046   0.795
  229    HB3  LEU  31          1HB       LEU  31   2.030  -6.703   2.243
  230    HG   LEU  31           HG       LEU  31  -0.663  -8.073   2.171
  231   HD11  LEU  31          1HD1      LEU  31   0.583 -10.074   2.796
  232   HD12  LEU  31          2HD1      LEU  31   2.096  -9.177   2.668
  233   HD13  LEU  31          3HD1      LEU  31   1.109  -9.454   1.231
  234   HD21  LEU  31          1HD2      LEU  31   1.246  -7.578   4.450
  235   HD22  LEU  31          2HD2      LEU  31  -0.218  -8.559   4.531
  236   HD23  LEU  31          3HD2      LEU  31  -0.332  -6.825   4.227
  237    H    CYS  32           H        CYS  32   1.711  -3.529   2.822
  238    HA   CYS  32           HA       CYS  32   2.050  -2.320   0.190
  239    HB2  CYS  32          2HB       CYS  32   1.086  -0.972   2.066
  240    HB3  CYS  32          1HB       CYS  32   2.637  -1.134   2.899
  241    H    VAL  33           H        VAL  33   3.873  -2.713  -0.812
  242    HA   VAL  33           HA       VAL  33   6.227  -3.248   0.812
  243    HB   VAL  33           HB       VAL  33   5.476  -5.292  -0.328
  244   HG11  VAL  33          1HG1      VAL  33   5.757  -3.777  -2.907
  245   HG12  VAL  33          2HG1      VAL  33   4.257  -4.352  -2.179
  246   HG13  VAL  33          3HG1      VAL  33   5.459  -5.508  -2.757
  247   HG21  VAL  33          1HG2      VAL  33   7.521  -5.876  -1.559
  248   HG22  VAL  33          2HG2      VAL  33   7.870  -5.039  -0.048
  249   HG23  VAL  33          3HG2      VAL  33   7.983  -4.173  -1.581
  250    HA   PRO  34           HA       PRO  34   7.840   0.303  -1.337
  251    HB2  PRO  34          2HB       PRO  34  10.457  -0.037  -0.658
  252    HB3  PRO  34          1HB       PRO  34   9.264   0.659   0.446
  253    HG2  PRO  34          2HG       PRO  34  10.333  -2.136   0.331
  254    HG3  PRO  34          1HG       PRO  34   9.993  -1.135   1.751
  255    HD2  PRO  34          2HD       PRO  34   8.327  -3.077   0.913
  256    HD3  PRO  34          1HD       PRO  34   7.737  -1.593   1.688
  257    H    ASP  35           H        ASP  35   7.894   0.099  -3.447
  258    HA   ASP  35           HA       ASP  35   9.192  -2.149  -4.725
  259    HB2  ASP  35          2HB       ASP  35   8.286  -1.139  -6.774
  260    HB3  ASP  35          1HB       ASP  35   7.047  -1.560  -5.571
  261    H    VAL  36           H        VAL  36  10.074   0.784  -3.729
  262    HA   VAL  36           HA       VAL  36  11.764   1.450  -5.967
  263    HB   VAL  36           HB       VAL  36  11.748   2.848  -3.287
  264   HG11  VAL  36          1HG1      VAL  36  13.639   3.339  -4.766
  265   HG12  VAL  36          2HG1      VAL  36  12.602   4.746  -4.532
  266   HG13  VAL  36          3HG1      VAL  36  12.511   3.824  -6.033
  267   HG21  VAL  36          1HG2      VAL  36  10.165   4.433  -4.250
  268   HG22  VAL  36          2HG2      VAL  36   9.480   2.808  -4.150
  269   HG23  VAL  36          3HG2      VAL  36  10.048   3.436  -5.700
  Start of MODEL   10
    1    H1   LEU   1          1HT       LEU   1  15.513   4.381   5.191
    2    H2   LEU   1          2HT       LEU   1  15.682   3.153   6.333
    3    H3   LEU   1          3HT       LEU   1  14.413   4.274   6.442
    4    HA   LEU   1           HA       LEU   1  14.736   2.385   4.218
    5    HB2  LEU   1          2HB       LEU   1  12.849   2.357   6.580
    6    HB3  LEU   1          1HB       LEU   1  12.624   1.386   5.146
    7    HG   LEU   1           HG       LEU   1  15.002   1.177   6.972
    8   HD11  LEU   1          1HD1      LEU   1  12.530  -0.549   6.777
    9   HD12  LEU   1          2HD1      LEU   1  12.948   0.507   8.124
   10   HD13  LEU   1          3HD1      LEU   1  13.946  -0.902   7.767
   11   HD21  LEU   1          1HD2      LEU   1  15.377  -0.947   5.790
   12   HD22  LEU   1          2HD2      LEU   1  15.471   0.441   4.713
   13   HD23  LEU   1          3HD2      LEU   1  14.028  -0.573   4.718
   14    HA   PRO   2           HA       PRO   2  11.923   5.236   2.249
   15    HB2  PRO   2          2HB       PRO   2  11.024   3.610   0.290
   16    HB3  PRO   2          1HB       PRO   2  12.653   4.298   0.247
   17    HG2  PRO   2          2HG       PRO   2  11.764   1.560   1.077
   18    HG3  PRO   2          1HG       PRO   2  13.167   2.025   0.100
   19    HD2  PRO   2          2HD       PRO   2  13.349   1.410   2.754
   20    HD3  PRO   2          1HD       PRO   2  14.434   2.562   1.956
   21    H    ARG   3           H        ARG   3   9.994   5.773   2.792
   22    HA   ARG   3           HA       ARG   3   8.241   3.657   3.766
   23    HB2  ARG   3          2HB       ARG   3   8.329   6.556   4.569
   24    HB3  ARG   3          1HB       ARG   3   7.172   5.370   5.146
   25    HG2  ARG   3          2HG       ARG   3   9.081   4.064   6.080
   26    HG3  ARG   3          1HG       ARG   3  10.137   5.414   5.646
   27    HD2  ARG   3          2HD       ARG   3   9.510   5.630   7.954
   28    HD3  ARG   3          1HD       ARG   3   8.710   6.894   7.016
   29    HE   ARG   3           HE       ARG   3   7.215   4.447   7.500
   30   HH11  ARG   3          1HH1      ARG   3   7.731   7.822   8.413
   31   HH12  ARG   3          2HH1      ARG   3   6.245   7.977   9.210
   32   HH21  ARG   3          1HH2      ARG   3   5.186   4.655   8.605
   33   HH22  ARG   3          2HH2      ARG   3   4.773   6.144   9.339
   34    H    CYS   4           H        CYS   4   6.096   3.756   3.249
   35    HA   CYS   4           HA       CYS   4   5.624   5.031   0.667
   36    HB2  CYS   4          2HB       CYS   4   4.223   2.814   2.118
   37    HB3  CYS   4          1HB       CYS   4   3.814   3.372   0.502
   38    H    ASP   5           H        ASP   5   5.017   5.572   3.862
   39    HA   ASP   5           HA       ASP   5   3.719   6.933   5.076
   40    HB2  ASP   5          2HB       ASP   5   2.521   7.733   2.434
   41    HB3  ASP   5          1HB       ASP   5   2.178   8.559   3.959
   42    H    SER   6           H        SER   6   2.973   4.257   3.918
   43    HA   SER   6           HA       SER   6   0.073   4.311   4.302
   44    HB2  SER   6          2HB       SER   6   1.771   2.128   3.128
   45    HB3  SER   6          1HB       SER   6   0.017   2.289   3.045
   46    HG   SER   6           HG       SER   6   0.734   3.054   1.151
   47    HA   PRO   7           HA       PRO   7   1.106   2.021   8.104
   48    HB2  PRO   7          2HB       PRO   7  -1.433   2.102   9.122
   49    HB3  PRO   7          1HB       PRO   7  -0.284   3.429   9.309
   50    HG2  PRO   7          2HG       PRO   7  -2.580   3.162   7.430
   51    HG3  PRO   7          1HG       PRO   7  -1.972   4.600   8.262
   52    HD2  PRO   7          2HD       PRO   7  -1.490   3.999   5.635
   53    HD3  PRO   7          1HD       PRO   7  -0.439   5.031   6.622
   54    H    PHE   8           H        PHE   8  -1.272   1.596   5.677
   55    HA   PHE   8           HA       PHE   8  -0.954  -1.164   5.383
   56    HB2  PHE   8          2HB       PHE   8  -3.231  -1.905   5.923
   57    HB3  PHE   8          1HB       PHE   8  -2.571  -1.148   7.363
   58    HD1  PHE   8          1HD       PHE   8  -3.310   1.215   7.920
   59    HD2  PHE   8          2HD       PHE   8  -5.226  -1.139   4.940
   60    HE1  PHE   8          1HE       PHE   8  -5.278   2.694   8.010
   61    HE2  PHE   8          2HE       PHE   8  -7.182   0.324   5.029
   62    HZ   PHE   8           HZ       PHE   8  -7.213   2.251   6.560
   63    H    CYS   9           H        CYS   9  -2.822  -1.732   3.640
   64    HA   CYS   9           HA       CYS   9  -3.828   0.590   2.269
   65    HB2  CYS   9          2HB       CYS   9  -1.524   0.178   1.309
   66    HB3  CYS   9          1HB       CYS   9  -2.071  -1.431   0.852
   67    H    SER  10           H        SER  10  -5.352  -0.277   0.513
   68    HA   SER  10           HA       SER  10  -6.169  -3.046   0.791
   69    HB2  SER  10          2HB       SER  10  -8.108  -0.846   1.541
   70    HB3  SER  10          1HB       SER  10  -8.380  -2.582   1.622
   71    HG   SER  10           HG       SER  10  -6.252  -2.103   3.051
   72    H    LEU  11           H        LEU  11  -7.900  -3.495  -0.792
   73    HA   LEU  11           HA       LEU  11  -7.707  -2.182  -3.257
   74    HB2  LEU  11          2HB       LEU  11 -10.012  -3.795  -2.160
   75    HB3  LEU  11          1HB       LEU  11  -9.821  -3.349  -3.839
   76    HG   LEU  11           HG       LEU  11  -7.944  -5.147  -2.301
   77   HD11  LEU  11          1HD1      LEU  11 -10.022  -5.799  -4.388
   78   HD12  LEU  11          2HD1      LEU  11 -10.136  -6.175  -2.669
   79   HD13  LEU  11          3HD1      LEU  11  -8.892  -6.941  -3.658
   80   HD21  LEU  11          1HD2      LEU  11  -6.805  -3.939  -4.074
   81   HD22  LEU  11          2HD2      LEU  11  -8.071  -4.391  -5.215
   82   HD23  LEU  11          3HD2      LEU  11  -7.022  -5.630  -4.527
   83    H    PHE  12           H        PHE  12  -9.640  -1.439  -0.506
   84    HA   PHE  12           HA       PHE  12 -11.129   0.597  -2.008
   85    HB2  PHE  12          2HB       PHE  12 -11.651  -0.525   0.753
   86    HB3  PHE  12          1HB       PHE  12 -12.664   0.644  -0.090
   87    HD1  PHE  12          1HD       PHE  12 -11.793  -2.851   0.277
   88    HD2  PHE  12          2HD       PHE  12 -13.859  -0.034  -2.147
   89    HE1  PHE  12          1HE       PHE  12 -12.989  -4.683  -0.833
   90    HE2  PHE  12          2HE       PHE  12 -15.058  -1.860  -3.251
   91    HZ   PHE  12           HZ       PHE  12 -14.618  -4.192  -2.597
   92    H    ARG  13           H        ARG  13  -8.356   0.406  -0.391
   93    HA   ARG  13           HA       ARG  13  -8.420   3.209   0.383
   94    HB2  ARG  13          2HB       ARG  13  -7.345   1.021   2.216
   95    HB3  ARG  13          1HB       ARG  13  -6.954   2.705   2.383
   96    HG2  ARG  13          2HG       ARG  13  -8.530   2.138   4.070
   97    HG3  ARG  13          1HG       ARG  13  -9.365   3.143   2.895
   98    HD2  ARG  13          2HD       ARG  13 -10.598   1.333   2.069
   99    HD3  ARG  13          1HD       ARG  13  -9.492   0.150   2.763
  100    HE   ARG  13           HE       ARG  13 -10.297   0.843   4.941
  101   HH11  ARG  13          1HH1      ARG  13 -12.466   1.743   2.241
  102   HH12  ARG  13          2HH1      ARG  13 -13.871   1.412   3.132
  103   HH21  ARG  13          1HH2      ARG  13 -12.290   0.462   6.127
  104   HH22  ARG  13          2HH2      ARG  13 -13.778   0.733   5.340
  105    H    ILE  14           H        ILE  14  -7.285   3.261  -1.679
  106    HA   ILE  14           HA       ILE  14  -4.580   2.124  -1.572
  107    HB   ILE  14           HB       ILE  14  -4.482   2.633  -4.028
  108   HG12  ILE  14          2HG1      ILE  14  -7.442   3.130  -3.708
  109   HG13  ILE  14          1HG1      ILE  14  -6.248   4.378  -4.058
  110   HG21  ILE  14          1HG2      ILE  14  -6.658   0.760  -3.130
  111   HG22  ILE  14          2HG2      ILE  14  -4.941   0.388  -3.284
  112   HG23  ILE  14          3HG2      ILE  14  -5.900   0.755  -4.720
  113   HD11  ILE  14          1HD1      ILE  14  -5.781   3.284  -6.200
  114   HD12  ILE  14          2HD1      ILE  14  -7.484   3.722  -6.047
  115   HD13  ILE  14          3HD1      ILE  14  -6.976   2.047  -5.818
  116    H    GLY  15           H        GLY  15  -6.181   4.885  -0.942
  117    HA2  GLY  15          2HA       GLY  15  -4.511   6.835  -2.154
  118    HA3  GLY  15          1HA       GLY  15  -5.646   7.107  -0.842
  119    H    LEU  16           H        LEU  16  -4.005   4.797   0.483
  120    HA   LEU  16           HA       LEU  16  -2.375   6.451   2.086
  121    HB2  LEU  16          2HB       LEU  16  -2.374   3.452   1.747
  122    HB3  LEU  16          1HB       LEU  16  -1.362   4.286   2.891
  123    HG   LEU  16           HG       LEU  16  -3.135   3.394   4.119
  124   HD11  LEU  16          1HD1      LEU  16  -4.308   5.268   5.048
  125   HD12  LEU  16          2HD1      LEU  16  -3.836   6.264   3.673
  126   HD13  LEU  16          3HD1      LEU  16  -2.603   5.640   4.773
  127   HD21  LEU  16          1HD2      LEU  16  -4.672   2.848   2.348
  128   HD22  LEU  16          2HD2      LEU  16  -5.035   4.554   2.106
  129   HD23  LEU  16          3HD2      LEU  16  -5.508   3.758   3.609
  130    H    CYS  17           H        CYS  17  -1.666   4.227  -0.566
  131    HA   CYS  17           HA       CYS  17   1.129   4.972  -0.498
  132    HB2  CYS  17          2HB       CYS  17  -0.242   3.187  -2.562
  133    HB3  CYS  17          1HB       CYS  17   1.462   3.295  -2.183
  134    H    GLY  18           H        GLY  18   1.210   7.101  -1.086
  135    HA2  GLY  18          2HA       GLY  18  -0.425   8.102  -3.217
  136    HA3  GLY  18          1HA       GLY  18   0.770   8.999  -2.294
  137    H    ASP  19           H        ASP  19   0.557   6.414  -4.673
  138    HA   ASP  19           HA       ASP  19   1.526   5.993  -6.669
  139    HB2  ASP  19          2HB       ASP  19   1.092   8.331  -7.077
  140    HB3  ASP  19          1HB       ASP  19   2.667   8.776  -6.441
  141    H    LYS  20           H        LYS  20   3.355   6.920  -4.065
  142    HA   LYS  20           HA       LYS  20   6.008   6.515  -4.956
  143    HB2  LYS  20          2HB       LYS  20   4.928   6.227  -2.167
  144    HB3  LYS  20          1HB       LYS  20   6.622   6.387  -2.597
  145    HG2  LYS  20          2HG       LYS  20   6.199   8.614  -3.480
  146    HG3  LYS  20          1HG       LYS  20   4.486   8.448  -3.079
  147    HD2  LYS  20          2HD       LYS  20   5.152   8.074  -0.728
  148    HD3  LYS  20          1HD       LYS  20   6.810   8.467  -1.171
  149    HE2  LYS  20          2HE       LYS  20   6.123  10.676  -1.917
  150    HE3  LYS  20          1HE       LYS  20   4.443  10.307  -1.539
  151    HZ1  LYS  20          1HZ       LYS  20   5.389  11.594   0.221
  152    HZ2  LYS  20          2HZ       LYS  20   6.691  10.550   0.379
  153    HZ3  LYS  20          3HZ       LYS  20   5.157  10.029   0.814
  154    H    CYS  21           H        CYS  21   3.617   4.291  -3.723
  155    HA   CYS  21           HA       CYS  21   5.478   2.099  -4.227
  156    HB2  CYS  21          2HB       CYS  21   3.817   2.366  -1.733
  157    HB3  CYS  21          1HB       CYS  21   4.807   0.991  -2.175
  158    H    THR  22           H        THR  22   4.103  -0.032  -3.790
  159    HA   THR  22           HA       THR  22   1.488   0.286  -5.046
  160    HB   THR  22           HB       THR  22   3.462  -2.003  -5.378
  161    HG1  THR  22          1HG       THR  22   4.070  -1.101  -7.290
  162   HG21  THR  22          1HG2      THR  22   2.058  -2.594  -7.313
  163   HG22  THR  22          2HG2      THR  22   0.989  -1.242  -6.952
  164   HG23  THR  22          3HG2      THR  22   1.117  -2.588  -5.821
  165    H    CYS  23           H        CYS  23  -0.106  -1.212  -4.028
  166    HA   CYS  23           HA       CYS  23   1.085  -2.601  -1.764
  167    HB2  CYS  23          2HB       CYS  23  -0.989  -2.378  -0.516
  168    HB3  CYS  23          1HB       CYS  23  -0.269  -0.815  -0.876
  169    H    VAL  24           H        VAL  24   0.750  -4.608  -1.408
  170    HA   VAL  24           HA       VAL  24  -0.851  -6.012  -3.360
  171    HB   VAL  24           HB       VAL  24   1.449  -6.791  -3.284
  172   HG11  VAL  24          1HG1      VAL  24   2.475  -7.785  -1.295
  173   HG12  VAL  24          2HG1      VAL  24   1.069  -7.305  -0.343
  174   HG13  VAL  24          3HG1      VAL  24   2.103  -6.074  -1.068
  175   HG21  VAL  24          1HG2      VAL  24  -0.374  -8.780  -1.942
  176   HG22  VAL  24          2HG2      VAL  24   1.136  -9.171  -2.764
  177   HG23  VAL  24          3HG2      VAL  24  -0.218  -8.502  -3.678
  178    HA   PRO  25           HA       PRO  25  -3.668  -6.592   0.066
  179    HB2  PRO  25          2HB       PRO  25  -5.857  -6.994  -1.385
  180    HB3  PRO  25          1HB       PRO  25  -5.108  -5.401  -1.300
  181    HG2  PRO  25          2HG       PRO  25  -5.009  -7.408  -3.495
  182    HG3  PRO  25          1HG       PRO  25  -5.073  -5.641  -3.588
  183    HD2  PRO  25          2HD       PRO  25  -2.771  -7.236  -3.821
  184    HD3  PRO  25          1HD       PRO  25  -2.821  -5.479  -3.564
  185    H    LEU  26           H        LEU  26  -4.524  -8.362   1.088
  186    HA   LEU  26           HA       LEU  26  -4.634 -10.818  -0.403
  187    HB2  LEU  26          2HB       LEU  26  -3.435 -12.084   1.369
  188    HB3  LEU  26          1HB       LEU  26  -2.429 -10.990   0.457
  189    HG   LEU  26           HG       LEU  26  -3.472 -10.287   3.211
  190   HD11  LEU  26          1HD1      LEU  26  -2.200 -12.380   3.340
  191   HD12  LEU  26          2HD1      LEU  26  -1.318 -11.043   4.079
  192   HD13  LEU  26          3HD1      LEU  26  -0.870 -11.612   2.471
  193   HD21  LEU  26          1HD2      LEU  26  -1.079  -9.314   1.637
  194   HD22  LEU  26          2HD2      LEU  26  -1.562  -8.760   3.241
  195   HD23  LEU  26          3HD2      LEU  26  -2.591  -8.436   1.846
  196    HA   PRO  27           HA       PRO  27  -6.291 -10.723  -1.227
  197    HB2  PRO  27          2HB       PRO  27  -9.115 -10.959  -1.395
  198    HB3  PRO  27          1HB       PRO  27  -7.927 -12.213  -1.739
  199    HG2  PRO  27          2HG       PRO  27  -9.753 -12.293   0.347
  200    HG3  PRO  27          1HG       PRO  27  -8.262 -13.239   0.272
  201    HD2  PRO  27          2HD       PRO  27  -8.826 -10.689   1.715
  202    HD3  PRO  27          1HD       PRO  27  -7.856 -12.084   2.240
  203    H    ILE  28           H        ILE  28  -8.093  -8.940   1.118
  204    HA   ILE  28           HA       ILE  28  -8.804  -6.881  -0.875
  205    HB   ILE  28           HB       ILE  28 -10.009  -7.370   1.867
  206   HG12  ILE  28          2HG1      ILE  28 -11.177  -7.814  -0.895
  207   HG13  ILE  28          1HG1      ILE  28 -10.576  -9.083   0.164
  208   HG21  ILE  28          1HG2      ILE  28 -11.688  -5.686   1.223
  209   HG22  ILE  28          2HG2      ILE  28 -10.796  -5.378  -0.267
  210   HG23  ILE  28          3HG2      ILE  28 -10.064  -4.997   1.290
  211   HD11  ILE  28          1HD1      ILE  28 -12.901  -7.262   0.734
  212   HD12  ILE  28          2HD1      ILE  28 -12.315  -8.553   1.785
  213   HD13  ILE  28          3HD1      ILE  28 -13.003  -8.943   0.208
  214    H    PHE  29           H        PHE  29  -7.558  -7.279   2.403
  215    HA   PHE  29           HA       PHE  29  -6.533  -4.538   2.402
  216    HB2  PHE  29          2HB       PHE  29  -6.754  -6.598   4.631
  217    HB3  PHE  29          1HB       PHE  29  -6.099  -4.982   4.826
  218    HD1  PHE  29          1HD       PHE  29  -7.551  -3.087   5.055
  219    HD2  PHE  29          2HD       PHE  29  -9.189  -6.929   4.237
  220    HE1  PHE  29          1HE       PHE  29  -9.789  -2.248   5.601
  221    HE2  PHE  29          2HE       PHE  29 -11.430  -6.087   4.772
  222    HZ   PHE  29           HZ       PHE  29 -11.737  -3.748   5.459
  223    H    GLY  30           H        GLY  30  -4.240  -4.184   2.724
  224    HA2  GLY  30          2HA       GLY  30  -2.526  -6.479   2.891
  225    HA3  GLY  30          1HA       GLY  30  -2.539  -5.712   1.319
  226    H    LEU  31           H        LEU  31  -0.306  -5.540   1.867
  227    HA   LEU  31           HA       LEU  31   0.233  -3.212   3.538
  228    HB2  LEU  31          2HB       LEU  31   2.515  -4.154   3.864
  229    HB3  LEU  31          1HB       LEU  31   1.244  -5.135   4.547
  230    HG   LEU  31           HG       LEU  31   1.476  -6.558   2.395
  231   HD11  LEU  31          1HD1      LEU  31   4.135  -5.157   2.320
  232   HD12  LEU  31          2HD1      LEU  31   2.863  -5.059   1.104
  233   HD13  LEU  31          3HD1      LEU  31   3.694  -6.588   1.389
  234   HD21  LEU  31          1HD2      LEU  31   3.648  -6.539   4.481
  235   HD22  LEU  31          2HD2      LEU  31   3.270  -7.883   3.408
  236   HD23  LEU  31          3HD2      LEU  31   2.087  -7.349   4.602
  237    H    CYS  32           H        CYS  32   1.968  -1.823   2.788
  238    HA   CYS  32           HA       CYS  32   1.881  -1.684  -0.123
  239    HB2  CYS  32          2HB       CYS  32   1.087   0.212   1.447
  240    HB3  CYS  32          1HB       CYS  32   2.798   0.482   1.751
  241    H    VAL  33           H        VAL  33   3.787  -1.613  -1.313
  242    HA   VAL  33           HA       VAL  33   6.294  -1.769   0.137
  243    HB   VAL  33           HB       VAL  33   5.555  -4.100  -0.204
  244   HG11  VAL  33          1HG1      VAL  33   5.485  -3.478  -3.145
  245   HG12  VAL  33          2HG1      VAL  33   4.108  -3.855  -2.109
  246   HG13  VAL  33          3HG1      VAL  33   5.331  -5.087  -2.434
  247   HG21  VAL  33          1HG2      VAL  33   7.866  -3.360  -2.002
  248   HG22  VAL  33          2HG2      VAL  33   7.517  -4.985  -1.417
  249   HG23  VAL  33          3HG2      VAL  33   7.948  -3.713  -0.275
  250    HA   PRO  34           HA       PRO  34   7.409   0.911  -3.304
  251    HB2  PRO  34          2HB       PRO  34  10.139   0.795  -2.927
  252    HB3  PRO  34          1HB       PRO  34   9.077   1.882  -2.026
  253    HG2  PRO  34          2HG       PRO  34  10.258  -0.729  -1.205
  254    HG3  PRO  34          1HG       PRO  34   9.983   0.731  -0.242
  255    HD2  PRO  34          2HD       PRO  34   8.386  -1.460  -0.118
  256    HD3  PRO  34          1HD       PRO  34   7.786   0.187   0.175
  257    H    ASP  35           H        ASP  35   8.018   0.462  -5.408
  258    HA   ASP  35           HA       ASP  35   8.325  -2.344  -6.012
  259    HB2  ASP  35          2HB       ASP  35   6.831  -0.760  -7.307
  260    HB3  ASP  35          1HB       ASP  35   8.306   0.002  -7.900
  261    H    VAL  36           H        VAL  36  10.108   0.613  -6.087
  262    HA   VAL  36           HA       VAL  36  12.476  -0.857  -6.902
  263    HB   VAL  36           HB       VAL  36  11.966   2.128  -7.131
  264   HG11  VAL  36          1HG1      VAL  36  14.283   1.577  -6.862
  265   HG12  VAL  36          2HG1      VAL  36  13.970   2.145  -8.508
  266   HG13  VAL  36          3HG1      VAL  36  14.187   0.415  -8.189
  267   HG21  VAL  36          1HG2      VAL  36  11.801   1.759  -9.559
  268   HG22  VAL  36          2HG2      VAL  36  10.523   0.919  -8.682
  269   HG23  VAL  36          3HG2      VAL  36  11.909   0.018  -9.294
  Start of MODEL   11
    1    H1   LEU   1          1HT       LEU   1  14.895   4.560   2.564
    2    H2   LEU   1          2HT       LEU   1  14.960   4.797   0.911
    3    H3   LEU   1          3HT       LEU   1  15.787   3.499   1.569
    4    HA   LEU   1           HA       LEU   1  13.797   2.796   0.497
    5    HB2  LEU   1          2HB       LEU   1  13.334   2.833   3.504
    6    HB3  LEU   1          1HB       LEU   1  12.471   1.824   2.373
    7    HG   LEU   1           HG       LEU   1  14.772   0.772   1.856
    8   HD11  LEU   1          1HD1      LEU   1  15.443   2.073   4.483
    9   HD12  LEU   1          2HD1      LEU   1  16.199   2.397   2.921
   10   HD13  LEU   1          3HD1      LEU   1  16.387   0.819   3.679
   11   HD21  LEU   1          1HD2      LEU   1  14.558  -0.772   3.744
   12   HD22  LEU   1          2HD2      LEU   1  12.998  -0.397   3.016
   13   HD23  LEU   1          3HD2      LEU   1  13.464   0.363   4.538
   14    HA   PRO   2           HA       PRO   2  10.768   6.061   0.133
   15    HB2  PRO   2          2HB       PRO   2   8.906   3.902  -0.626
   16    HB3  PRO   2          1HB       PRO   2   9.401   5.329  -1.543
   17    HG2  PRO   2          2HG       PRO   2  10.251   2.890  -2.222
   18    HG3  PRO   2          1HG       PRO   2  11.293   4.318  -2.363
   19    HD2  PRO   2          2HD       PRO   2  11.309   2.174  -0.281
   20    HD3  PRO   2          1HD       PRO   2  12.658   3.021  -1.068
   21    H    ARG   3           H        ARG   3   9.546   6.931   1.509
   22    HA   ARG   3           HA       ARG   3   8.588   5.420   3.744
   23    HB2  ARG   3          2HB       ARG   3   8.405   8.362   3.097
   24    HB3  ARG   3          1HB       ARG   3   7.755   7.622   4.548
   25    HG2  ARG   3          2HG       ARG   3  10.661   7.641   3.754
   26    HG3  ARG   3          1HG       ARG   3   9.922   8.708   4.946
   27    HD2  ARG   3          2HD       ARG   3  10.068   5.690   5.125
   28    HD3  ARG   3          1HD       ARG   3  11.097   6.816   5.997
   29    HE   ARG   3           HE       ARG   3   8.656   7.601   6.768
   30   HH11  ARG   3          1HH1      ARG   3  10.070   4.344   6.655
   31   HH12  ARG   3          2HH1      ARG   3   9.236   3.782   8.018
   32   HH21  ARG   3          1HH2      ARG   3   7.523   6.814   8.665
   33   HH22  ARG   3          2HH2      ARG   3   7.771   5.224   9.211
   34    H    CYS   4           H        CYS   4   7.064   4.146   3.056
   35    HA   CYS   4           HA       CYS   4   4.870   4.970   1.438
   36    HB2  CYS   4          2HB       CYS   4   4.987   2.588   3.304
   37    HB3  CYS   4          1HB       CYS   4   4.016   2.761   1.848
   38    H    ASP   5           H        ASP   5   5.503   4.328   4.837
   39    HA   ASP   5           HA       ASP   5   4.571   4.899   6.831
   40    HB2  ASP   5          2HB       ASP   5   5.005   7.207   5.840
   41    HB3  ASP   5          1HB       ASP   5   3.322   7.243   5.345
   42    H    SER   6           H        SER   6   3.045   3.292   4.830
   43    HA   SER   6           HA       SER   6   0.278   3.819   5.187
   44    HB2  SER   6          2HB       SER   6   1.559   1.341   4.108
   45    HB3  SER   6          1HB       SER   6   0.041   2.102   3.627
   46    HG   SER   6           HG       SER   6   1.216   3.782   2.670
   47    HA   PRO   7           HA       PRO   7   0.319   1.257   9.011
   48    HB2  PRO   7          2HB       PRO   7  -2.568   1.890   8.910
   49    HB3  PRO   7          1HB       PRO   7  -1.421   2.174  10.221
   50    HG2  PRO   7          2HG       PRO   7  -2.426   4.188   8.734
   51    HG3  PRO   7          1HG       PRO   7  -0.790   4.228   9.403
   52    HD2  PRO   7          2HD       PRO   7  -1.641   3.691   6.571
   53    HD3  PRO   7          1HD       PRO   7  -0.213   4.519   7.208
   54    H    PHE   8           H        PHE   8  -2.314   1.395   6.637
   55    HA   PHE   8           HA       PHE   8  -2.035  -1.408   6.003
   56    HB2  PHE   8          2HB       PHE   8  -4.710  -0.146   6.724
   57    HB3  PHE   8          1HB       PHE   8  -4.471  -1.772   6.109
   58    HD1  PHE   8          1HD       PHE   8  -4.851   0.239   8.973
   59    HD2  PHE   8          2HD       PHE   8  -3.042  -3.351   7.596
   60    HE1  PHE   8          1HE       PHE   8  -4.715  -0.568  11.285
   61    HE2  PHE   8          2HE       PHE   8  -2.899  -4.165   9.916
   62    HZ   PHE   8           HZ       PHE   8  -3.742  -2.771  11.757
   63    H    CYS   9           H        CYS   9  -3.308  -1.762   3.941
   64    HA   CYS   9           HA       CYS   9  -4.223   0.560   2.560
   65    HB2  CYS   9          2HB       CYS   9  -1.733   0.550   2.157
   66    HB3  CYS   9          1HB       CYS   9  -1.924  -1.067   1.472
   67    H    SER  10           H        SER  10  -5.286  -0.138   0.621
   68    HA   SER  10           HA       SER  10  -5.922  -2.988   0.420
   69    HB2  SER  10          2HB       SER  10  -8.036  -0.866   0.917
   70    HB3  SER  10          1HB       SER  10  -8.336  -2.573   0.610
   71    HG   SER  10           HG       SER  10  -6.697  -1.753   2.728
   72    H    LEU  11           H        LEU  11  -7.582  -3.221  -1.515
   73    HA   LEU  11           HA       LEU  11  -6.515  -1.785  -3.694
   74    HB2  LEU  11          2HB       LEU  11  -8.075  -2.943  -5.130
   75    HB3  LEU  11          1HB       LEU  11  -7.399  -4.069  -3.980
   76    HG   LEU  11           HG       LEU  11 -10.089  -2.835  -3.518
   77   HD11  LEU  11          1HD1      LEU  11 -10.142  -3.848  -5.759
   78   HD12  LEU  11          2HD1      LEU  11 -11.077  -4.820  -4.623
   79   HD13  LEU  11          3HD1      LEU  11  -9.462  -5.338  -5.105
   80   HD21  LEU  11          1HD2      LEU  11  -9.195  -4.034  -1.633
   81   HD22  LEU  11          2HD2      LEU  11  -8.793  -5.411  -2.657
   82   HD23  LEU  11          3HD2      LEU  11 -10.479  -4.998  -2.360
   83    H    PHE  12           H        PHE  12  -9.128  -1.250  -1.591
   84    HA   PHE  12           HA       PHE  12 -10.335   0.796  -3.252
   85    HB2  PHE  12          2HB       PHE  12 -10.855   0.076  -0.353
   86    HB3  PHE  12          1HB       PHE  12 -11.797   1.226  -1.287
   87    HD1  PHE  12          1HD       PHE  12 -11.485  -2.161  -0.280
   88    HD2  PHE  12          2HD       PHE  12 -12.937   0.323  -3.413
   89    HE1  PHE  12          1HE       PHE  12 -12.955  -3.975  -1.039
   90    HE2  PHE  12          2HE       PHE  12 -14.407  -1.491  -4.173
   91    HZ   PHE  12           HZ       PHE  12 -14.421  -3.644  -2.988
   92    H    ARG  13           H        ARG  13  -8.716   0.692  -0.099
   93    HA   ARG  13           HA       ARG  13  -8.101   3.498  -0.384
   94    HB2  ARG  13          2HB       ARG  13  -7.806   1.642   1.984
   95    HB3  ARG  13          1HB       ARG  13  -7.073   3.235   1.957
   96    HG2  ARG  13          2HG       ARG  13  -9.128   3.350   3.180
   97    HG3  ARG  13          1HG       ARG  13  -9.333   4.223   1.667
   98    HD2  ARG  13          2HD       ARG  13 -10.431   2.197   0.729
   99    HD3  ARG  13          1HD       ARG  13 -10.310   1.454   2.324
  100    HE   ARG  13           HE       ARG  13 -11.585   3.982   2.425
  101   HH11  ARG  13          1HH1      ARG  13 -12.174   0.575   1.696
  102   HH12  ARG  13          2HH1      ARG  13 -13.855   0.661   1.947
  103   HH21  ARG  13          1HH2      ARG  13 -13.849   4.117   2.765
  104   HH22  ARG  13          2HH2      ARG  13 -14.843   2.748   2.593
  105    H    ILE  14           H        ILE  14  -6.778   3.250  -2.105
  106    HA   ILE  14           HA       ILE  14  -4.235   1.863  -1.756
  107    HB   ILE  14           HB       ILE  14  -3.801   2.593  -4.121
  108   HG12  ILE  14          2HG1      ILE  14  -6.685   3.524  -4.013
  109   HG13  ILE  14          1HG1      ILE  14  -5.279   4.574  -4.139
  110   HG21  ILE  14          1HG2      ILE  14  -5.382   1.009  -5.142
  111   HG22  ILE  14          2HG2      ILE  14  -6.280   0.972  -3.622
  112   HG23  ILE  14          3HG2      ILE  14  -4.621   0.383  -3.679
  113   HD11  ILE  14          1HD1      ILE  14  -6.186   2.556  -6.186
  114   HD12  ILE  14          2HD1      ILE  14  -4.771   3.600  -6.330
  115   HD13  ILE  14          3HD1      ILE  14  -6.387   4.308  -6.284
  116    H    GLY  15           H        GLY  15  -5.545   4.894  -1.275
  117    HA2  GLY  15          2HA       GLY  15  -3.446   6.604  -2.088
  118    HA3  GLY  15          1HA       GLY  15  -4.736   7.006  -0.970
  119    H    LEU  16           H        LEU  16  -3.457   4.405   0.398
  120    HA   LEU  16           HA       LEU  16  -1.888   5.928   2.243
  121    HB2  LEU  16          2HB       LEU  16  -2.496   2.987   2.068
  122    HB3  LEU  16          1HB       LEU  16  -1.437   3.659   3.287
  123    HG   LEU  16           HG       LEU  16  -3.535   3.278   4.296
  124   HD11  LEU  16          1HD1      LEU  16  -2.469   5.306   4.995
  125   HD12  LEU  16          2HD1      LEU  16  -4.222   5.461   5.051
  126   HD13  LEU  16          3HD1      LEU  16  -3.318   6.215   3.740
  127   HD21  LEU  16          1HD2      LEU  16  -5.642   4.228   3.505
  128   HD22  LEU  16          2HD2      LEU  16  -4.935   3.130   2.315
  129   HD23  LEU  16          3HD2      LEU  16  -4.818   4.875   2.085
  130    H    CYS  17           H        CYS  17  -1.299   4.031  -0.554
  131    HA   CYS  17           HA       CYS  17   1.578   4.338  -0.090
  132    HB2  CYS  17          2HB       CYS  17   0.236   2.366  -1.959
  133    HB3  CYS  17          1HB       CYS  17   1.935   2.459  -1.574
  134    H    GLY  18           H        GLY  18   1.638   6.414  -0.905
  135    HA2  GLY  18          2HA       GLY  18   0.295   6.949  -3.417
  136    HA3  GLY  18          1HA       GLY  18   1.010   8.122  -2.326
  137    H    ASP  19           H        ASP  19   1.572   5.905  -4.906
  138    HA   ASP  19           HA       ASP  19   2.797   6.075  -6.766
  139    HB2  ASP  19          2HB       ASP  19   2.427   8.383  -6.632
  140    HB3  ASP  19          1HB       ASP  19   3.774   8.636  -5.537
  141    H    LYS  20           H        LYS  20   4.348   6.387  -3.833
  142    HA   LYS  20           HA       LYS  20   6.964   5.595  -4.905
  143    HB2  LYS  20          2HB       LYS  20   6.368   5.910  -1.974
  144    HB3  LYS  20          1HB       LYS  20   7.893   6.133  -2.819
  145    HG2  LYS  20          2HG       LYS  20   5.487   7.928  -2.941
  146    HG3  LYS  20          1HG       LYS  20   7.004   8.276  -2.133
  147    HD2  LYS  20          2HD       LYS  20   8.154   8.357  -4.278
  148    HD3  LYS  20          1HD       LYS  20   6.687   7.829  -5.109
  149    HE2  LYS  20          2HE       LYS  20   5.563   9.891  -4.191
  150    HE3  LYS  20          1HE       LYS  20   7.162  10.417  -3.667
  151    HZ1  LYS  20          1HZ       LYS  20   7.894  10.393  -5.966
  152    HZ2  LYS  20          2HZ       LYS  20   6.519  11.355  -5.800
  153    HZ3  LYS  20          3HZ       LYS  20   6.380   9.804  -6.447
  154    H    CYS  21           H        CYS  21   4.258   4.164  -3.297
  155    HA   CYS  21           HA       CYS  21   5.660   1.616  -3.221
  156    HB2  CYS  21          2HB       CYS  21   3.916   2.585  -0.942
  157    HB3  CYS  21          1HB       CYS  21   4.869   1.126  -1.032
  158    H    THR  22           H        THR  22   4.040  -0.157  -3.000
  159    HA   THR  22           HA       THR  22   1.373   0.589  -3.915
  160    HB   THR  22           HB       THR  22   3.096  -1.622  -5.085
  161    HG1  THR  22          1HG       THR  22   2.434   0.978  -5.922
  162   HG21  THR  22          1HG2      THR  22   1.288  -1.859  -6.738
  163   HG22  THR  22          2HG2      THR  22   0.377  -0.589  -5.925
  164   HG23  THR  22          3HG2      THR  22   0.670  -2.123  -5.106
  165    H    CYS  23           H        CYS  23  -0.199  -0.761  -2.999
  166    HA   CYS  23           HA       CYS  23   0.869  -2.710  -1.139
  167    HB2  CYS  23          2HB       CYS  23  -1.322  -2.567   0.001
  168    HB3  CYS  23          1HB       CYS  23  -0.426  -1.052  -0.020
  169    H    VAL  24           H        VAL  24   0.373  -4.731  -1.176
  170    HA   VAL  24           HA       VAL  24  -1.076  -5.731  -3.510
  171    HB   VAL  24           HB       VAL  24   0.698  -7.203  -1.530
  172   HG11  VAL  24          1HG1      VAL  24   0.683  -9.021  -3.173
  173   HG12  VAL  24          2HG1      VAL  24  -0.461  -8.109  -4.160
  174   HG13  VAL  24          3HG1      VAL  24  -0.932  -8.676  -2.558
  175   HG21  VAL  24          1HG2      VAL  24   2.374  -7.249  -3.319
  176   HG22  VAL  24          2HG2      VAL  24   1.986  -5.594  -2.845
  177   HG23  VAL  24          3HG2      VAL  24   1.318  -6.266  -4.332
  178    HA   PRO  25           HA       PRO  25  -4.234  -6.322  -0.280
  179    HB2  PRO  25          2HB       PRO  25  -6.136  -6.723  -2.414
  180    HB3  PRO  25          1HB       PRO  25  -5.992  -5.359  -1.306
  181    HG2  PRO  25          2HG       PRO  25  -5.474  -5.194  -3.990
  182    HG3  PRO  25          1HG       PRO  25  -4.738  -4.133  -2.775
  183    HD2  PRO  25          2HD       PRO  25  -3.611  -6.549  -4.125
  184    HD3  PRO  25          1HD       PRO  25  -2.841  -4.992  -3.727
  185    H    LEU  26           H        LEU  26  -4.839  -8.204   0.680
  186    HA   LEU  26           HA       LEU  26  -5.543 -10.411  -0.980
  187    HB2  LEU  26          2HB       LEU  26  -4.150 -12.065   0.187
  188    HB3  LEU  26          1HB       LEU  26  -3.210 -10.904  -0.707
  189    HG   LEU  26           HG       LEU  26  -3.569 -10.773   2.291
  190   HD11  LEU  26          1HD1      LEU  26  -1.382 -11.837   2.441
  191   HD12  LEU  26          2HD1      LEU  26  -1.337 -12.013   0.688
  192   HD13  LEU  26          3HD1      LEU  26  -2.530 -12.902   1.631
  193   HD21  LEU  26          1HD2      LEU  26  -2.818  -8.697   1.208
  194   HD22  LEU  26          2HD2      LEU  26  -1.492  -9.580   0.450
  195   HD23  LEU  26          3HD2      LEU  26  -1.546  -9.406   2.203
  196    HA   PRO  27           HA       PRO  27  -7.317 -10.482  -1.446
  197    HB2  PRO  27          2HB       PRO  27 -10.122 -10.312  -0.798
  198    HB3  PRO  27          1HB       PRO  27  -9.271 -11.634  -1.595
  199    HG2  PRO  27          2HG       PRO  27 -10.376 -11.874   0.878
  200    HG3  PRO  27          1HG       PRO  27  -8.939 -12.777   0.372
  201    HD2  PRO  27          2HD       PRO  27  -9.104 -10.259   1.997
  202    HD3  PRO  27          1HD       PRO  27  -8.134 -11.725   2.280
  203    H    ILE  28           H        ILE  28  -8.607  -8.572   1.173
  204    HA   ILE  28           HA       ILE  28  -9.249  -6.386  -0.676
  205    HB   ILE  28           HB       ILE  28 -10.049  -6.728   2.226
  206   HG12  ILE  28          2HG1      ILE  28 -11.248  -8.240   0.735
  207   HG13  ILE  28          1HG1      ILE  28 -12.337  -6.998   1.341
  208   HG21  ILE  28          1HG2      ILE  28  -9.764  -4.367   1.735
  209   HG22  ILE  28          2HG2      ILE  28 -11.470  -4.754   1.939
  210   HG23  ILE  28          3HG2      ILE  28 -10.810  -4.516   0.321
  211   HD11  ILE  28          1HD1      ILE  28 -12.763  -7.428  -1.002
  212   HD12  ILE  28          2HD1      ILE  28 -11.080  -7.121  -1.398
  213   HD13  ILE  28          3HD1      ILE  28 -12.099  -5.806  -0.812
  214    H    PHE  29           H        PHE  29  -7.714  -6.787   2.516
  215    HA   PHE  29           HA       PHE  29  -6.195  -4.373   1.932
  216    HB2  PHE  29          2HB       PHE  29  -5.643  -4.352   4.356
  217    HB3  PHE  29          1HB       PHE  29  -7.375  -4.289   4.070
  218    HD1  PHE  29          1HD       PHE  29  -8.800  -6.147   4.698
  219    HD2  PHE  29          2HD       PHE  29  -4.602  -6.292   5.359
  220    HE1  PHE  29          1HE       PHE  29  -9.101  -8.054   6.207
  221    HE2  PHE  29          2HE       PHE  29  -4.901  -8.208   6.865
  222    HZ   PHE  29           HZ       PHE  29  -7.146  -9.089   7.292
  223    H    GLY  30           H        GLY  30  -3.911  -4.403   2.465
  224    HA2  GLY  30          2HA       GLY  30  -2.654  -7.017   2.643
  225    HA3  GLY  30          1HA       GLY  30  -2.441  -6.165   1.126
  226    H    LEU  31           H        LEU  31  -0.220  -6.343   1.719
  227    HA   LEU  31           HA       LEU  31   0.559  -4.349   3.673
  228    HB2  LEU  31          2HB       LEU  31   2.882  -5.368   3.424
  229    HB3  LEU  31          1HB       LEU  31   1.675  -6.309   4.259
  230    HG   LEU  31           HG       LEU  31   1.408  -7.705   2.196
  231   HD11  LEU  31          1HD1      LEU  31   3.814  -6.191   1.192
  232   HD12  LEU  31          2HD1      LEU  31   2.187  -6.141   0.511
  233   HD13  LEU  31          3HD1      LEU  31   3.113  -7.640   0.464
  234   HD21  LEU  31          1HD2      LEU  31   3.512  -8.913   2.492
  235   HD22  LEU  31          2HD2      LEU  31   2.788  -8.422   4.023
  236   HD23  LEU  31          3HD2      LEU  31   4.164  -7.532   3.374
  237    H    CYS  32           H        CYS  32   2.253  -2.865   3.149
  238    HA   CYS  32           HA       CYS  32   2.032  -2.093   0.348
  239    HB2  CYS  32          2HB       CYS  32   1.291  -0.500   2.163
  240    HB3  CYS  32          1HB       CYS  32   2.975  -0.403   2.666
  241    H    VAL  33           H        VAL  33   3.729  -2.221  -0.921
  242    HA   VAL  33           HA       VAL  33   6.340  -2.682   0.305
  243    HB   VAL  33           HB       VAL  33   5.468  -4.769  -0.701
  244   HG11  VAL  33          1HG1      VAL  33   3.949  -3.891  -2.346
  245   HG12  VAL  33          2HG1      VAL  33   5.089  -5.000  -3.110
  246   HG13  VAL  33          3HG1      VAL  33   5.294  -3.260  -3.294
  247   HG21  VAL  33          1HG2      VAL  33   7.721  -3.587  -2.325
  248   HG22  VAL  33          2HG2      VAL  33   7.311  -5.301  -2.261
  249   HG23  VAL  33          3HG2      VAL  33   7.872  -4.474  -0.808
  250    HA   PRO  34           HA       PRO  34   7.492   1.001  -1.912
  251    HB2  PRO  34          2HB       PRO  34  10.159   0.374  -2.261
  252    HB3  PRO  34          1HB       PRO  34   9.489   1.145  -0.819
  253    HG2  PRO  34          2HG       PRO  34  10.154  -1.724  -1.303
  254    HG3  PRO  34          1HG       PRO  34  10.393  -0.756   0.166
  255    HD2  PRO  34          2HD       PRO  34   8.384  -2.491  -0.038
  256    HD3  PRO  34          1HD       PRO  34   8.155  -0.930   0.784
  257    H    ASP  35           H        ASP  35   7.265   1.417  -3.982
  258    HA   ASP  35           HA       ASP  35   7.359  -0.809  -5.856
  259    HB2  ASP  35          2HB       ASP  35   5.325   0.563  -5.835
  260    HB3  ASP  35          1HB       ASP  35   6.276   2.002  -6.170
  261    H    VAL  36           H        VAL  36   8.718   2.337  -5.296
  262    HA   VAL  36           HA       VAL  36  10.378   2.082  -7.610
  263    HB   VAL  36           HB       VAL  36   9.569   4.307  -7.210
  264   HG11  VAL  36          1HG1      VAL  36  10.812   4.182  -4.477
  265   HG12  VAL  36          2HG1      VAL  36   9.089   4.207  -4.850
  266   HG13  VAL  36          3HG1      VAL  36  10.088   5.616  -5.202
  267   HG21  VAL  36          1HG2      VAL  36  12.483   4.128  -6.506
  268   HG22  VAL  36          2HG2      VAL  36  11.677   5.599  -7.040
  269   HG23  VAL  36          3HG2      VAL  36  11.799   4.209  -8.127
  Start of MODEL   12
    1    H1   LEU   1          1HT       LEU   1  12.753   7.371   9.411
    2    H2   LEU   1          2HT       LEU   1  13.181   6.266   8.199
    3    H3   LEU   1          3HT       LEU   1  12.211   5.773   9.468
    4    HA   LEU   1           HA       LEU   1  10.425   7.068   8.753
    5    HB2  LEU   1          2HB       LEU   1  12.342   7.975   6.585
    6    HB3  LEU   1          1HB       LEU   1  10.614   8.069   6.389
    7    HG   LEU   1           HG       LEU   1  10.518   9.636   8.329
    8   HD11  LEU   1          1HD1      LEU   1  13.512   9.528   8.171
    9   HD12  LEU   1          2HD1      LEU   1  12.493   9.060   9.544
   10   HD13  LEU   1          3HD1      LEU   1  12.580  10.743   9.040
   11   HD21  LEU   1          1HD2      LEU   1  10.530  10.485   6.069
   12   HD22  LEU   1          2HD2      LEU   1  12.290  10.445   6.040
   13   HD23  LEU   1          3HD2      LEU   1  11.452  11.555   7.127
   14    HA   PRO   2           HA       PRO   2   9.655   3.360   6.345
   15    HB2  PRO   2          2HB       PRO   2   7.081   4.400   5.550
   16    HB3  PRO   2          1HB       PRO   2   7.422   3.143   6.738
   17    HG2  PRO   2          2HG       PRO   2   6.375   5.574   7.382
   18    HG3  PRO   2          1HG       PRO   2   7.358   4.599   8.488
   19    HD2  PRO   2          2HD       PRO   2   8.138   6.956   6.828
   20    HD3  PRO   2          1HD       PRO   2   8.597   6.532   8.495
   21    H    ARG   3           H        ARG   3   9.580   2.684   4.289
   22    HA   ARG   3           HA       ARG   3  10.550   4.612   2.422
   23    HB2  ARG   3          2HB       ARG   3  10.172   1.650   2.262
   24    HB3  ARG   3          1HB       ARG   3  10.716   2.620   0.903
   25    HG2  ARG   3          2HG       ARG   3  12.122   2.523   3.555
   26    HG3  ARG   3          1HG       ARG   3  12.553   1.494   2.191
   27    HD2  ARG   3          2HD       ARG   3  12.616   4.512   2.257
   28    HD3  ARG   3          1HD       ARG   3  14.010   3.434   2.272
   29    HE   ARG   3           HE       ARG   3  12.677   2.721   0.036
   30   HH11  ARG   3          1HH1      ARG   3  14.042   5.786   1.204
   31   HH12  ARG   3          2HH1      ARG   3  14.228   6.444  -0.353
   32   HH21  ARG   3          1HH2      ARG   3  12.936   3.648  -2.096
   33   HH22  ARG   3          2HH2      ARG   3  13.570   5.211  -2.269
   34    H    CYS   4           H        CYS   4   7.726   3.221   2.982
   35    HA   CYS   4           HA       CYS   4   6.608   4.293   0.460
   36    HB2  CYS   4          2HB       CYS   4   5.518   2.027   2.126
   37    HB3  CYS   4          1HB       CYS   4   4.723   2.696   0.716
   38    H    ASP   5           H        ASP   5   6.688   4.652   3.743
   39    HA   ASP   5           HA       ASP   5   5.714   6.024   5.250
   40    HB2  ASP   5          2HB       ASP   5   4.854   7.423   2.725
   41    HB3  ASP   5          1HB       ASP   5   4.491   8.065   4.323
   42    H    SER   6           H        SER   6   4.211   3.692   4.158
   43    HA   SER   6           HA       SER   6   1.553   4.595   4.952
   44    HB2  SER   6          2HB       SER   6   1.655   4.013   2.573
   45    HB3  SER   6          1HB       SER   6   2.295   2.425   2.985
   46    HG   SER   6           HG       SER   6   0.119   2.282   2.615
   47    HA   PRO   7           HA       PRO   7   2.359   1.593   8.188
   48    HB2  PRO   7          2HB       PRO   7  -0.074   1.865   9.434
   49    HB3  PRO   7          1HB       PRO   7   1.277   2.970   9.691
   50    HG2  PRO   7          2HG       PRO   7  -1.128   3.297   7.949
   51    HG3  PRO   7          1HG       PRO   7  -0.303   4.499   8.961
   52    HD2  PRO   7          2HD       PRO   7   0.008   4.341   6.274
   53    HD3  PRO   7          1HD       PRO   7   1.291   4.921   7.357
   54    H    PHE   8           H        PHE   8  -0.650   1.759   6.309
   55    HA   PHE   8           HA       PHE   8  -0.556  -0.897   5.444
   56    HB2  PHE   8          2HB       PHE   8  -2.537  -1.819   6.561
   57    HB3  PHE   8          1HB       PHE   8  -1.345  -1.393   7.776
   58    HD1  PHE   8          1HD       PHE   8  -1.737   0.558   9.252
   59    HD2  PHE   8          2HD       PHE   8  -4.682  -0.745   6.463
   60    HE1  PHE   8          1HE       PHE   8  -3.446   1.873  10.439
   61    HE2  PHE   8          2HE       PHE   8  -6.386   0.563   7.644
   62    HZ   PHE   8           HZ       PHE   8  -5.772   1.876   9.635
   63    H    CYS   9           H        CYS   9  -2.500  -1.343   4.093
   64    HA   CYS   9           HA       CYS   9  -4.239   0.878   3.623
   65    HB2  CYS   9          2HB       CYS   9  -3.741   0.777   1.121
   66    HB3  CYS   9          1HB       CYS   9  -2.505   1.524   2.122
   67    H    SER  10           H        SER  10  -5.599  -0.053   1.420
   68    HA   SER  10           HA       SER  10  -6.024  -2.889   1.572
   69    HB2  SER  10          2HB       SER  10  -8.175  -0.935   2.460
   70    HB3  SER  10          1HB       SER  10  -8.478  -2.636   2.101
   71    HG   SER  10           HG       SER  10  -6.482  -1.978   3.937
   72    H    LEU  11           H        LEU  11  -7.952  -3.378  -0.077
   73    HA   LEU  11           HA       LEU  11  -7.189  -2.075  -2.444
   74    HB2  LEU  11          2HB       LEU  11  -8.811  -3.446  -3.630
   75    HB3  LEU  11          1HB       LEU  11  -7.933  -4.373  -2.442
   76    HG   LEU  11           HG       LEU  11 -10.043  -4.081  -0.964
   77   HD11  LEU  11          1HD1      LEU  11 -12.131  -3.876  -2.205
   78   HD12  LEU  11          2HD1      LEU  11 -11.227  -3.540  -3.682
   79   HD13  LEU  11          3HD1      LEU  11 -11.163  -2.407  -2.332
   80   HD21  LEU  11          1HD2      LEU  11  -9.279  -6.188  -1.931
   81   HD22  LEU  11          2HD2      LEU  11 -10.119  -5.800  -3.432
   82   HD23  LEU  11          3HD2      LEU  11 -11.037  -6.062  -1.950
   83    H    PHE  12           H        PHE  12  -9.697  -1.380  -0.241
   84    HA   PHE  12           HA       PHE  12 -11.086   0.400  -2.041
   85    HB2  PHE  12          2HB       PHE  12 -11.368   0.162   0.960
   86    HB3  PHE  12          1HB       PHE  12 -12.416   1.089  -0.087
   87    HD1  PHE  12          1HD       PHE  12 -11.719  -2.148   1.328
   88    HD2  PHE  12          2HD       PHE  12 -13.855  -0.122  -1.753
   89    HE1  PHE  12          1HE       PHE  12 -13.195  -4.095   1.065
   90    HE2  PHE  12          2HE       PHE  12 -15.325  -2.071  -2.015
   91    HZ   PHE  12           HZ       PHE  12 -14.998  -4.056  -0.607
   92    H    ARG  13           H        ARG  13  -8.396   0.633   0.055
   93    HA   ARG  13           HA       ARG  13  -8.267   3.496  -0.444
   94    HB2  ARG  13          2HB       ARG  13  -7.720   2.190   2.237
   95    HB3  ARG  13          1HB       ARG  13  -7.087   3.764   1.813
   96    HG2  ARG  13          2HG       ARG  13  -8.989   4.152   3.167
   97    HG3  ARG  13          1HG       ARG  13  -9.489   4.520   1.522
   98    HD2  ARG  13          2HD       ARG  13 -10.571   2.354   1.350
   99    HD3  ARG  13          1HD       ARG  13 -10.009   1.935   2.965
  100    HE   ARG  13           HE       ARG  13 -11.493   4.328   3.053
  101   HH11  ARG  13          1HH1      ARG  13 -11.984   0.841   2.737
  102   HH12  ARG  13          2HH1      ARG  13 -13.589   0.861   3.288
  103   HH21  ARG  13          1HH2      ARG  13 -13.666   4.368   3.822
  104   HH22  ARG  13          2HH2      ARG  13 -14.593   2.946   3.936
  105    H    ILE  14           H        ILE  14  -6.976   2.933  -2.156
  106    HA   ILE  14           HA       ILE  14  -4.388   1.725  -1.478
  107    HB   ILE  14           HB       ILE  14  -4.003   1.579  -3.938
  108   HG12  ILE  14          2HG1      ILE  14  -6.910   2.399  -4.163
  109   HG13  ILE  14          1HG1      ILE  14  -5.541   3.410  -4.607
  110   HG21  ILE  14          1HG2      ILE  14  -6.472   0.189  -2.928
  111   HG22  ILE  14          2HG2      ILE  14  -4.805  -0.346  -2.723
  112   HG23  ILE  14          3HG2      ILE  14  -5.524  -0.297  -4.333
  113   HD11  ILE  14          1HD1      ILE  14  -6.559   2.408  -6.558
  114   HD12  ILE  14          2HD1      ILE  14  -6.312   0.796  -5.883
  115   HD13  ILE  14          3HD1      ILE  14  -4.924   1.790  -6.332
  116    H    GLY  15           H        GLY  15  -5.768   4.678  -1.715
  117    HA2  GLY  15          2HA       GLY  15  -3.871   6.200  -3.167
  118    HA3  GLY  15          1HA       GLY  15  -5.034   6.826  -2.009
  119    H    LEU  16           H        LEU  16  -3.606   4.672  -0.221
  120    HA   LEU  16           HA       LEU  16  -1.873   6.421   1.166
  121    HB2  LEU  16          2HB       LEU  16  -2.197   3.431   1.259
  122    HB3  LEU  16          1HB       LEU  16  -1.015   4.255   2.242
  123    HG   LEU  16           HG       LEU  16  -2.913   3.717   3.583
  124   HD11  LEU  16          1HD1      LEU  16  -1.839   5.786   4.119
  125   HD12  LEU  16          2HD1      LEU  16  -3.566   5.884   4.444
  126   HD13  LEU  16          3HD1      LEU  16  -2.897   6.660   3.011
  127   HD21  LEU  16          1HD2      LEU  16  -4.627   3.499   1.877
  128   HD22  LEU  16          2HD2      LEU  16  -4.595   5.238   1.597
  129   HD23  LEU  16          3HD2      LEU  16  -5.165   4.607   3.142
  130    H    CYS  17           H        CYS  17  -1.366   4.107  -1.422
  131    HA   CYS  17           HA       CYS  17   1.453   4.886  -1.440
  132    HB2  CYS  17          2HB       CYS  17   0.434   2.130  -2.133
  133    HB3  CYS  17          1HB       CYS  17   2.091   2.678  -2.106
  134    H    GLY  18           H        GLY  18   1.424   6.267  -3.095
  135    HA2  GLY  18          2HA       GLY  18   0.699   5.137  -5.686
  136    HA3  GLY  18          1HA       GLY  18   0.176   6.761  -5.230
  137    H    ASP  19           H        ASP  19   2.037   5.790  -7.348
  138    HA   ASP  19           HA       ASP  19   3.734   6.642  -8.482
  139    HB2  ASP  19          2HB       ASP  19   3.116   8.735  -7.735
  140    HB3  ASP  19          1HB       ASP  19   3.859   8.533  -6.160
  141    H    LYS  20           H        LYS  20   4.200   5.616  -5.339
  142    HA   LYS  20           HA       LYS  20   7.066   5.130  -5.897
  143    HB2  LYS  20          2HB       LYS  20   5.904   5.602  -3.170
  144    HB3  LYS  20          1HB       LYS  20   7.604   5.503  -3.618
  145    HG2  LYS  20          2HG       LYS  20   7.282   7.491  -5.065
  146    HG3  LYS  20          1HG       LYS  20   5.648   7.629  -4.436
  147    HD2  LYS  20          2HD       LYS  20   6.640   7.772  -2.170
  148    HD3  LYS  20          1HD       LYS  20   8.230   7.887  -2.927
  149    HE2  LYS  20          2HE       LYS  20   5.916   9.805  -3.247
  150    HE3  LYS  20          1HE       LYS  20   7.471  10.134  -2.493
  151    HZ1  LYS  20          1HZ       LYS  20   7.021   9.586  -5.398
  152    HZ2  LYS  20          2HZ       LYS  20   8.528   9.863  -4.668
  153    HZ3  LYS  20          3HZ       LYS  20   7.376  11.071  -4.693
  154    H    CYS  21           H        CYS  21   4.238   3.774  -4.157
  155    HA   CYS  21           HA       CYS  21   5.515   1.173  -4.347
  156    HB2  CYS  21          2HB       CYS  21   4.143   2.258  -1.884
  157    HB3  CYS  21          1HB       CYS  21   4.809   0.653  -2.080
  158    H    THR  22           H        THR  22   3.811  -0.541  -3.901
  159    HA   THR  22           HA       THR  22   1.233   0.416  -4.882
  160    HB   THR  22           HB       THR  22   2.629  -2.163  -5.681
  161    HG1  THR  22          1HG       THR  22   2.804  -1.059  -7.745
  162   HG21  THR  22          1HG2      THR  22   0.143  -0.818  -6.772
  163   HG22  THR  22          2HG2      THR  22   0.171  -2.281  -5.791
  164   HG23  THR  22          3HG2      THR  22   0.872  -2.292  -7.410
  165    H    CYS  23           H        CYS  23  -0.546  -0.562  -3.883
  166    HA   CYS  23           HA       CYS  23   0.005  -2.163  -1.541
  167    HB2  CYS  23          2HB       CYS  23  -2.482  -0.814  -2.574
  168    HB3  CYS  23          1HB       CYS  23  -2.483  -1.877  -1.175
  169    H    VAL  24           H        VAL  24  -0.111  -4.262  -1.563
  170    HA   VAL  24           HA       VAL  24  -1.674  -5.602  -3.649
  171    HB   VAL  24           HB       VAL  24   0.418  -6.770  -1.771
  172   HG11  VAL  24          1HG1      VAL  24  -0.970  -8.009  -4.153
  173   HG12  VAL  24          2HG1      VAL  24  -1.235  -8.429  -2.462
  174   HG13  VAL  24          3HG1      VAL  24   0.324  -8.756  -3.217
  175   HG21  VAL  24          1HG2      VAL  24   0.634  -6.089  -4.706
  176   HG22  VAL  24          2HG2      VAL  24   1.868  -6.911  -3.749
  177   HG23  VAL  24          3HG2      VAL  24   1.430  -5.242  -3.381
  178    HA   PRO  25           HA       PRO  25  -4.411  -6.096  -0.037
  179    HB2  PRO  25          2HB       PRO  25  -6.470  -6.645  -2.031
  180    HB3  PRO  25          1HB       PRO  25  -6.367  -5.331  -0.850
  181    HG2  PRO  25          2HG       PRO  25  -6.085  -4.879  -3.497
  182    HG3  PRO  25          1HG       PRO  25  -5.212  -3.945  -2.272
  183    HD2  PRO  25          2HD       PRO  25  -4.243  -6.264  -3.912
  184    HD3  PRO  25          1HD       PRO  25  -3.451  -4.704  -3.570
  185    H    LEU  26           H        LEU  26  -4.466  -7.894   0.996
  186    HA   LEU  26           HA       LEU  26  -5.023 -10.288  -0.463
  187    HB2  LEU  26          2HB       LEU  26  -3.148 -11.431   0.954
  188    HB3  LEU  26          1HB       LEU  26  -2.798 -10.598  -0.541
  189    HG   LEU  26           HG       LEU  26  -2.106  -8.599   0.883
  190   HD11  LEU  26          1HD1      LEU  26  -1.356  -9.027   3.154
  191   HD12  LEU  26          2HD1      LEU  26  -2.085 -10.632   3.090
  192   HD13  LEU  26          3HD1      LEU  26  -3.104  -9.198   2.993
  193   HD21  LEU  26          1HD2      LEU  26  -0.522 -11.144   1.056
  194   HD22  LEU  26          2HD2      LEU  26   0.113  -9.520   1.322
  195   HD23  LEU  26          3HD2      LEU  26  -0.512  -9.973  -0.263
  196    HA   PRO  27           HA       PRO  27  -6.805 -10.576  -0.766
  197    HB2  PRO  27          2HB       PRO  27  -9.531 -10.865   0.075
  198    HB3  PRO  27          1HB       PRO  27  -8.511 -12.071  -0.712
  199    HG2  PRO  27          2HG       PRO  27  -9.430 -12.311   1.856
  200    HG3  PRO  27          1HG       PRO  27  -7.936 -13.062   1.274
  201    HD2  PRO  27          2HD       PRO  27  -8.296 -10.514   2.811
  202    HD3  PRO  27          1HD       PRO  27  -7.103 -11.812   3.054
  203    H    ILE  28           H        ILE  28  -8.175  -8.808   1.946
  204    HA   ILE  28           HA       ILE  28  -9.088  -6.767   0.049
  205    HB   ILE  28           HB       ILE  28 -10.153  -7.284   2.841
  206   HG12  ILE  28          2HG1      ILE  28 -11.416  -7.636   0.110
  207   HG13  ILE  28          1HG1      ILE  28 -10.868  -8.930   1.164
  208   HG21  ILE  28          1HG2      ILE  28 -11.011  -5.203   0.820
  209   HG22  ILE  28          2HG2      ILE  28 -10.170  -4.884   2.335
  210   HG23  ILE  28          3HG2      ILE  28 -11.811  -5.535   2.357
  211   HD11  ILE  28          1HD1      ILE  28 -13.267  -8.711   1.265
  212   HD12  ILE  28          2HD1      ILE  28 -13.114  -7.010   1.700
  213   HD13  ILE  28          3HD1      ILE  28 -12.559  -8.255   2.815
  214    H    PHE  29           H        PHE  29  -7.595  -7.082   3.290
  215    HA   PHE  29           HA       PHE  29  -6.716  -4.365   3.172
  216    HB2  PHE  29          2HB       PHE  29  -5.398  -4.860   5.213
  217    HB3  PHE  29          1HB       PHE  29  -7.058  -5.384   5.392
  218    HD1  PHE  29          1HD       PHE  29  -7.592  -7.730   5.622
  219    HD2  PHE  29          2HD       PHE  29  -3.564  -6.461   5.090
  220    HE1  PHE  29          1HE       PHE  29  -6.800  -9.936   6.361
  221    HE2  PHE  29          2HE       PHE  29  -2.771  -8.667   5.823
  222    HZ   PHE  29           HZ       PHE  29  -4.389 -10.408   6.460
  223    H    GLY  30           H        GLY  30  -4.547  -3.655   2.822
  224    HA2  GLY  30          2HA       GLY  30  -3.097  -5.637   1.247
  225    HA3  GLY  30          1HA       GLY  30  -3.392  -4.008   0.635
  226    H    LEU  31           H        LEU  31  -1.033  -5.520   1.075
  227    HA   LEU  31           HA       LEU  31   0.314  -3.912   3.100
  228    HB2  LEU  31          2HB       LEU  31   1.280  -6.293   1.505
  229    HB3  LEU  31          1HB       LEU  31   2.201  -5.458   2.737
  230    HG   LEU  31           HG       LEU  31  -0.345  -7.010   3.215
  231   HD11  LEU  31          1HD1      LEU  31   1.090  -8.612   4.347
  232   HD12  LEU  31          2HD1      LEU  31   2.508  -7.665   3.898
  233   HD13  LEU  31          3HD1      LEU  31   1.539  -8.448   2.650
  234   HD21  LEU  31          1HD2      LEU  31   1.546  -5.672   5.155
  235   HD22  LEU  31          2HD2      LEU  31   0.193  -6.712   5.596
  236   HD23  LEU  31          3HD2      LEU  31  -0.109  -5.170   4.799
  237    H    CYS  32           H        CYS  32   1.908  -2.534   2.493
  238    HA   CYS  32           HA       CYS  32   1.769  -1.737  -0.294
  239    HB2  CYS  32          2HB       CYS  32   1.274  -0.095   1.503
  240    HB3  CYS  32          1HB       CYS  32   2.928  -0.286   2.084
  241    H    VAL  33           H        VAL  33   3.292  -2.438  -1.568
  242    HA   VAL  33           HA       VAL  33   5.893  -3.097  -0.420
  243    HB   VAL  33           HB       VAL  33   4.777  -5.052  -1.375
  244   HG11  VAL  33          1HG1      VAL  33   4.261  -5.235  -3.769
  245   HG12  VAL  33          2HG1      VAL  33   4.654  -3.525  -3.962
  246   HG13  VAL  33          3HG1      VAL  33   3.296  -4.008  -2.950
  247   HG21  VAL  33          1HG2      VAL  33   7.202  -4.998  -1.591
  248   HG22  VAL  33          2HG2      VAL  33   7.063  -4.147  -3.127
  249   HG23  VAL  33          3HG2      VAL  33   6.487  -5.806  -2.986
  250    HA   PRO  34           HA       PRO  34   7.551   0.376  -2.713
  251    HB2  PRO  34          2HB       PRO  34  10.178  -0.482  -2.698
  252    HB3  PRO  34          1HB       PRO  34   9.413   0.384  -1.360
  253    HG2  PRO  34          2HG       PRO  34   9.842  -2.550  -1.720
  254    HG3  PRO  34          1HG       PRO  34  10.056  -1.565  -0.258
  255    HD2  PRO  34          2HD       PRO  34   7.908  -3.096  -0.597
  256    HD3  PRO  34          1HD       PRO  34   7.764  -1.496   0.162
  257    H    ASP  35           H        ASP  35   7.283   0.492  -4.817
  258    HA   ASP  35           HA       ASP  35   7.973  -1.866  -6.422
  259    HB2  ASP  35          2HB       ASP  35   5.589  -1.065  -6.461
  260    HB3  ASP  35          1HB       ASP  35   6.162   0.408  -7.240
  261    H    VAL  36           H        VAL  36   8.217   1.632  -6.364
  262    HA   VAL  36           HA       VAL  36   9.992   1.631  -8.620
  263    HB   VAL  36           HB       VAL  36   9.207   3.888  -6.738
  264   HG11  VAL  36          1HG1      VAL  36  10.627   3.985  -9.403
  265   HG12  VAL  36          2HG1      VAL  36  11.334   4.364  -7.834
  266   HG13  VAL  36          3HG1      VAL  36  10.060   5.387  -8.498
  267   HG21  VAL  36          1HG2      VAL  36   7.742   4.611  -8.559
  268   HG22  VAL  36          2HG2      VAL  36   7.311   3.003  -7.974
  269   HG23  VAL  36          3HG2      VAL  36   8.198   3.181  -9.489
  Start of MODEL   13
    1    H1   LEU   1          1HT       LEU   1  12.627  -0.694   6.038
    2    H2   LEU   1          2HT       LEU   1  12.456  -0.728   7.697
    3    H3   LEU   1          3HT       LEU   1  12.727   0.753   6.882
    4    HA   LEU   1           HA       LEU   1  10.359  -0.982   6.594
    5    HB2  LEU   1          2HB       LEU   1  10.608   1.815   7.754
    6    HB3  LEU   1          1HB       LEU   1   9.099   0.996   7.453
    7    HG   LEU   1           HG       LEU   1   9.933  -0.737   9.175
    8   HD11  LEU   1          1HD1      LEU   1  11.730   1.561   9.899
    9   HD12  LEU   1          2HD1      LEU   1  12.258  -0.001   9.285
   10   HD13  LEU   1          3HD1      LEU   1  11.462   0.106  10.855
   11   HD21  LEU   1          1HD2      LEU   1   9.215   2.061  10.014
   12   HD22  LEU   1          2HD2      LEU   1   9.082   0.620  11.023
   13   HD23  LEU   1          3HD2      LEU   1   8.089   0.777   9.576
   14    HA   PRO   2           HA       PRO   2   9.958   1.033   2.627
   15    HB2  PRO   2          2HB       PRO   2   7.239   1.015   2.405
   16    HB3  PRO   2          1HB       PRO   2   8.219  -0.431   2.142
   17    HG2  PRO   2          2HG       PRO   2   6.685   0.396   4.568
   18    HG3  PRO   2          1HG       PRO   2   6.806  -1.202   3.811
   19    HD2  PRO   2          2HD       PRO   2   8.224  -0.554   5.998
   20    HD3  PRO   2          1HD       PRO   2   8.883  -1.626   4.740
   21    H    ARG   3           H        ARG   3   9.983   3.063   2.104
   22    HA   ARG   3           HA       ARG   3   8.942   4.979   4.009
   23    HB2  ARG   3          2HB       ARG   3  10.694   5.317   1.587
   24    HB3  ARG   3          1HB       ARG   3  10.245   6.584   2.711
   25    HG2  ARG   3          2HG       ARG   3  11.469   5.539   4.483
   26    HG3  ARG   3          1HG       ARG   3  11.786   4.119   3.481
   27    HD2  ARG   3          2HD       ARG   3  12.718   6.916   2.918
   28    HD3  ARG   3          1HD       ARG   3  13.725   5.609   3.556
   29    HE   ARG   3           HE       ARG   3  12.711   4.563   1.297
   30   HH11  ARG   3          1HH1      ARG   3  14.430   7.589   1.933
   31   HH12  ARG   3          2HH1      ARG   3  15.147   7.684   0.395
   32   HH21  ARG   3          1HH2      ARG   3  13.677   4.671  -0.820
   33   HH22  ARG   3          2HH2      ARG   3  14.679   5.979  -1.227
   34    H    CYS   4           H        CYS   4   6.797   4.456   3.411
   35    HA   CYS   4           HA       CYS   4   5.983   5.706   0.877
   36    HB2  CYS   4          2HB       CYS   4   4.723   3.325   2.230
   37    HB3  CYS   4          1HB       CYS   4   4.217   4.035   0.706
   38    H    ASP   5           H        ASP   5   5.669   5.539   4.290
   39    HA   ASP   5           HA       ASP   5   4.387   6.481   5.831
   40    HB2  ASP   5          2HB       ASP   5   3.643   8.299   3.537
   41    HB3  ASP   5          1HB       ASP   5   3.019   8.544   5.164
   42    H    SER   6           H        SER   6   3.533   4.287   4.234
   43    HA   SER   6           HA       SER   6   0.615   4.479   4.490
   44    HB2  SER   6          2HB       SER   6   2.196   2.425   2.942
   45    HB3  SER   6          1HB       SER   6   0.491   2.842   2.771
   46    HG   SER   6           HG       SER   6   1.149   4.877   1.932
   47    HA   PRO   7           HA       PRO   7   1.830   1.607   7.862
   48    HB2  PRO   7          2HB       PRO   7  -0.621   1.552   9.095
   49    HB3  PRO   7          1HB       PRO   7   0.584   2.805   9.388
   50    HG2  PRO   7          2HG       PRO   7  -1.858   2.892   7.676
   51    HG3  PRO   7          1HG       PRO   7  -1.141   4.164   8.675
   52    HD2  PRO   7          2HD       PRO   7  -0.872   4.019   5.958
   53    HD3  PRO   7          1HD       PRO   7   0.311   4.806   7.024
   54    H    PHE   8           H        PHE   8  -0.930   1.468   5.759
   55    HA   PHE   8           HA       PHE   8  -0.569  -1.255   5.143
   56    HB2  PHE   8          2HB       PHE   8  -2.799  -2.041   5.851
   57    HB3  PHE   8          1HB       PHE   8  -1.914  -1.485   7.261
   58    HD1  PHE   8          1HD       PHE   8  -4.863  -1.109   5.253
   59    HD2  PHE   8          2HD       PHE   8  -2.494   0.772   8.238
   60    HE1  PHE   8          1HE       PHE   8  -6.744   0.363   5.814
   61    HE2  PHE   8          2HE       PHE   8  -4.372   2.257   8.800
   62    HZ   PHE   8           HZ       PHE   8  -6.496   2.053   7.592
   63    H    CYS   9           H        CYS   9  -2.644  -1.725   3.621
   64    HA   CYS   9           HA       CYS   9  -3.704   0.663   2.413
   65    HB2  CYS   9          2HB       CYS   9  -1.424   0.302   1.390
   66    HB3  CYS   9          1HB       CYS   9  -1.978  -1.276   0.861
   67    H    SER  10           H        SER  10  -5.161  -0.254   0.424
   68    HA   SER  10           HA       SER  10  -6.101  -2.937   0.948
   69    HB2  SER  10          2HB       SER  10  -8.452  -2.094   1.266
   70    HB3  SER  10          1HB       SER  10  -7.373  -1.677   2.601
   71    HG   SER  10           HG       SER  10  -7.049   0.334   1.389
   72    H    LEU  11           H        LEU  11  -7.850  -3.456  -0.738
   73    HA   LEU  11           HA       LEU  11  -7.066  -2.393  -3.254
   74    HB2  LEU  11          2HB       LEU  11  -8.744  -3.789  -4.274
   75    HB3  LEU  11          1HB       LEU  11  -7.918  -4.719  -3.047
   76    HG   LEU  11           HG       LEU  11 -10.559  -3.422  -2.468
   77   HD11  LEU  11          1HD1      LEU  11 -10.846  -4.753  -4.510
   78   HD12  LEU  11          2HD1      LEU  11 -11.630  -5.533  -3.138
   79   HD13  LEU  11          3HD1      LEU  11 -10.073  -6.125  -3.719
   80   HD21  LEU  11          1HD2      LEU  11  -9.425  -4.326  -0.545
   81   HD22  LEU  11          2HD2      LEU  11  -9.124  -5.838  -1.399
   82   HD23  LEU  11          3HD2      LEU  11 -10.769  -5.385  -0.963
   83    H    PHE  12           H        PHE  12  -9.446  -1.610  -0.950
   84    HA   PHE  12           HA       PHE  12 -11.129  -0.115  -2.731
   85    HB2  PHE  12          2HB       PHE  12 -11.033  -0.043   0.293
   86    HB3  PHE  12          1HB       PHE  12 -12.326   0.575  -0.724
   87    HD1  PHE  12          1HD       PHE  12 -11.544  -1.970   1.406
   88    HD2  PHE  12          2HD       PHE  12 -13.148  -1.388  -2.494
   89    HE1  PHE  12          1HE       PHE  12 -12.669  -4.152   1.533
   90    HE2  PHE  12          2HE       PHE  12 -14.269  -3.558  -2.360
   91    HZ   PHE  12           HZ       PHE  12 -14.036  -4.947  -0.347
   92    H    ARG  13           H        ARG  13  -8.730   0.594  -0.234
   93    HA   ARG  13           HA       ARG  13  -8.432   3.238  -1.444
   94    HB2  ARG  13          2HB       ARG  13  -8.046   2.429   1.429
   95    HB3  ARG  13          1HB       ARG  13  -7.594   3.994   0.768
   96    HG2  ARG  13          2HG       ARG  13 -10.370   2.856   1.043
   97    HG3  ARG  13          1HG       ARG  13  -9.669   4.197   1.947
   98    HD2  ARG  13          2HD       ARG  13 -10.281   4.140  -1.012
   99    HD3  ARG  13          1HD       ARG  13 -11.152   5.034   0.224
  100    HE   ARG  13           HE       ARG  13  -8.622   5.961   0.444
  101   HH11  ARG  13          1HH1      ARG  13 -10.940   5.753  -2.234
  102   HH12  ARG  13          2HH1      ARG  13 -10.286   7.068  -3.094
  103   HH21  ARG  13          1HH2      ARG  13  -7.760   7.797  -0.704
  104   HH22  ARG  13          2HH2      ARG  13  -8.428   8.259  -2.187
  105    H    ILE  14           H        ILE  14  -6.920   2.733  -2.847
  106    HA   ILE  14           HA       ILE  14  -4.452   1.550  -1.844
  107    HB   ILE  14           HB       ILE  14  -3.665   1.635  -4.198
  108   HG12  ILE  14          2HG1      ILE  14  -6.438   2.653  -4.837
  109   HG13  ILE  14          1HG1      ILE  14  -4.954   3.598  -4.954
  110   HG21  ILE  14          1HG2      ILE  14  -5.171  -0.084  -5.120
  111   HG22  ILE  14          2HG2      ILE  14  -6.326   0.281  -3.836
  112   HG23  ILE  14          3HG2      ILE  14  -4.742  -0.377  -3.433
  113   HD11  ILE  14          1HD1      ILE  14  -5.685   2.822  -7.137
  114   HD12  ILE  14          2HD1      ILE  14  -5.643   1.152  -6.554
  115   HD13  ILE  14          3HD1      ILE  14  -4.147   2.075  -6.692
  116    H    GLY  15           H        GLY  15  -5.934   4.382  -1.969
  117    HA2  GLY  15          2HA       GLY  15  -3.941   6.231  -2.734
  118    HA3  GLY  15          1HA       GLY  15  -5.386   6.593  -1.803
  119    H    LEU  16           H        LEU  16  -3.904   4.231  -0.148
  120    HA   LEU  16           HA       LEU  16  -2.725   5.988   1.777
  121    HB2  LEU  16          2HB       LEU  16  -2.698   2.996   1.455
  122    HB3  LEU  16          1HB       LEU  16  -1.706   3.768   2.669
  123    HG   LEU  16           HG       LEU  16  -3.673   2.898   3.708
  124   HD11  LEU  16          1HD1      LEU  16  -3.898   5.883   3.503
  125   HD12  LEU  16          2HD1      LEU  16  -2.872   4.969   4.606
  126   HD13  LEU  16          3HD1      LEU  16  -4.624   4.866   4.748
  127   HD21  LEU  16          1HD2      LEU  16  -5.940   3.632   3.118
  128   HD22  LEU  16          2HD2      LEU  16  -5.159   2.774   1.790
  129   HD23  LEU  16          3HD2      LEU  16  -5.280   4.532   1.752
  130    H    CYS  17           H        CYS  17  -1.648   4.229  -0.975
  131    HA   CYS  17           HA       CYS  17   1.160   4.778  -0.441
  132    HB2  CYS  17          2HB       CYS  17  -0.178   3.323  -2.735
  133    HB3  CYS  17          1HB       CYS  17   1.545   3.351  -2.382
  134    H    GLY  18           H        GLY  18   2.076   6.561  -1.330
  135    HA2  GLY  18          2HA       GLY  18   0.362   8.258  -2.955
  136    HA3  GLY  18          1HA       GLY  18   1.849   8.738  -2.162
  137    H    ASP  19           H        ASP  19   1.024   6.230  -4.525
  138    HA   ASP  19           HA       ASP  19   1.593   5.798  -6.660
  139    HB2  ASP  19          2HB       ASP  19   0.973   8.103  -7.001
  140    HB3  ASP  19          1HB       ASP  19   2.621   8.626  -6.699
  141    H    LYS  20           H        LYS  20   3.911   6.749  -4.505
  142    HA   LYS  20           HA       LYS  20   6.216   6.039  -6.101
  143    HB2  LYS  20          2HB       LYS  20   5.995   6.636  -3.182
  144    HB3  LYS  20          1HB       LYS  20   7.495   6.362  -4.065
  145    HG2  LYS  20          2HG       LYS  20   6.990   8.243  -5.511
  146    HG3  LYS  20          1HG       LYS  20   5.500   8.524  -4.610
  147    HD2  LYS  20          2HD       LYS  20   7.190   9.985  -3.908
  148    HD3  LYS  20          1HD       LYS  20   6.792   8.853  -2.594
  149    HE2  LYS  20          2HE       LYS  20   8.803   7.537  -3.170
  150    HE3  LYS  20          1HE       LYS  20   9.180   8.694  -4.449
  151    HZ1  LYS  20          1HZ       LYS  20   9.384  10.399  -2.728
  152    HZ2  LYS  20          2HZ       LYS  20  10.475   9.132  -2.511
  153    HZ3  LYS  20          3HZ       LYS  20   9.114   9.223  -1.539
  154    H    CYS  21           H        CYS  21   4.003   4.514  -4.117
  155    HA   CYS  21           HA       CYS  21   5.511   2.022  -4.077
  156    HB2  CYS  21          2HB       CYS  21   3.876   3.142  -1.794
  157    HB3  CYS  21          1HB       CYS  21   4.727   1.609  -1.817
  158    H    THR  22           H        THR  22   4.083   0.217  -4.100
  159    HA   THR  22           HA       THR  22   1.293   0.837  -4.719
  160    HB   THR  22           HB       THR  22   3.057  -1.279  -6.013
  161    HG1  THR  22          1HG       THR  22   3.600   0.635  -6.868
  162   HG21  THR  22          1HG2      THR  22   1.165  -1.671  -7.523
  163   HG22  THR  22          2HG2      THR  22   0.210  -0.466  -6.661
  164   HG23  THR  22          3HG2      THR  22   0.678  -1.962  -5.851
  165    H    CYS  23           H        CYS  23  -0.184  -0.620  -3.771
  166    HA   CYS  23           HA       CYS  23   1.066  -2.434  -1.853
  167    HB2  CYS  23          2HB       CYS  23  -0.949  -2.255  -0.542
  168    HB3  CYS  23          1HB       CYS  23  -0.228  -0.670  -0.804
  169    H    VAL  24           H        VAL  24   0.080  -4.401  -1.403
  170    HA   VAL  24           HA       VAL  24  -1.633  -5.372  -3.540
  171    HB   VAL  24           HB       VAL  24   0.581  -6.407  -3.778
  172   HG11  VAL  24          1HG1      VAL  24   1.559  -7.857  -2.053
  173   HG12  VAL  24          2HG1      VAL  24   0.287  -7.361  -0.934
  174   HG13  VAL  24          3HG1      VAL  24   1.447  -6.174  -1.530
  175   HG21  VAL  24          1HG2      VAL  24  -1.439  -8.342  -2.657
  176   HG22  VAL  24          2HG2      VAL  24  -0.038  -8.785  -3.629
  177   HG23  VAL  24          3HG2      VAL  24  -1.320  -7.799  -4.331
  178    HA   PRO  25           HA       PRO  25  -4.147  -6.010   0.078
  179    HB2  PRO  25          2HB       PRO  25  -6.453  -6.560  -1.227
  180    HB3  PRO  25          1HB       PRO  25  -5.823  -4.921  -1.049
  181    HG2  PRO  25          2HG       PRO  25  -5.826  -6.700  -3.428
  182    HG3  PRO  25          1HG       PRO  25  -5.887  -4.934  -3.345
  183    HD2  PRO  25          2HD       PRO  25  -3.626  -6.493  -3.913
  184    HD3  PRO  25          1HD       PRO  25  -3.645  -4.769  -3.502
  185    H    LEU  26           H        LEU  26  -4.108  -7.859   1.249
  186    HA   LEU  26           HA       LEU  26  -4.874 -10.257  -0.108
  187    HB2  LEU  26          2HB       LEU  26  -3.028 -11.617   0.720
  188    HB3  LEU  26          1HB       LEU  26  -2.461 -10.344  -0.320
  189    HG   LEU  26           HG       LEU  26  -2.241 -10.302   2.695
  190   HD11  LEU  26          1HD1      LEU  26  -0.933 -12.135   1.749
  191   HD12  LEU  26          2HD1      LEU  26   0.126 -10.854   2.338
  192   HD13  LEU  26          3HD1      LEU  26  -0.179 -11.021   0.608
  193   HD21  LEU  26          1HD2      LEU  26  -2.165  -8.081   1.658
  194   HD22  LEU  26          2HD2      LEU  26  -0.868  -8.624   0.591
  195   HD23  LEU  26          3HD2      LEU  26  -0.597  -8.528   2.331
  196    HA   PRO  27           HA       PRO  27  -6.672 -10.627  -0.176
  197    HB2  PRO  27          2HB       PRO  27  -9.275 -10.744   1.038
  198    HB3  PRO  27          1HB       PRO  27  -8.409 -12.021   0.181
  199    HG2  PRO  27          2HG       PRO  27  -8.946 -12.151   2.853
  200    HG3  PRO  27          1HG       PRO  27  -7.521 -12.897   2.115
  201    HD2  PRO  27          2HD       PRO  27  -7.756 -10.265   3.513
  202    HD3  PRO  27          1HD       PRO  27  -6.533 -11.535   3.742
  203    H    ILE  28           H        ILE  28  -7.937  -8.641   2.501
  204    HA   ILE  28           HA       ILE  28  -9.041  -6.769   0.529
  205    HB   ILE  28           HB       ILE  28  -9.551  -6.939   3.515
  206   HG12  ILE  28          2HG1      ILE  28 -10.637  -8.733   2.255
  207   HG13  ILE  28          1HG1      ILE  28 -11.828  -7.608   2.898
  208   HG21  ILE  28          1HG2      ILE  28  -9.644  -4.637   2.850
  209   HG22  ILE  28          2HG2      ILE  28 -11.280  -5.222   3.168
  210   HG23  ILE  28          3HG2      ILE  28 -10.710  -5.034   1.507
  211   HD11  ILE  28          1HD1      ILE  28 -12.417  -8.302   0.657
  212   HD12  ILE  28          2HD1      ILE  28 -10.854  -7.766   0.047
  213   HD13  ILE  28          3HD1      ILE  28 -12.011  -6.585   0.667
  214    H    PHE  29           H        PHE  29  -7.173  -6.769   3.517
  215    HA   PHE  29           HA       PHE  29  -6.047  -4.206   2.730
  216    HB2  PHE  29          2HB       PHE  29  -6.015  -5.644   5.403
  217    HB3  PHE  29          1HB       PHE  29  -5.232  -4.098   5.085
  218    HD1  PHE  29          1HD       PHE  29  -8.334  -5.763   5.881
  219    HD2  PHE  29          2HD       PHE  29  -6.631  -2.125   4.494
  220    HE1  PHE  29          1HE       PHE  29 -10.432  -4.599   6.380
  221    HE2  PHE  29          2HE       PHE  29  -8.739  -0.942   4.995
  222    HZ   PHE  29           HZ       PHE  29 -10.643  -2.183   5.933
  223    H    GLY  30           H        GLY  30  -3.800  -3.961   2.756
  224    HA2  GLY  30          2HA       GLY  30  -2.208  -6.358   2.956
  225    HA3  GLY  30          1HA       GLY  30  -2.356  -5.681   1.343
  226    H    LEU  31           H        LEU  31  -0.023  -5.706   1.778
  227    HA   LEU  31           HA       LEU  31   0.936  -3.486   3.419
  228    HB2  LEU  31          2HB       LEU  31   2.455  -5.643   1.963
  229    HB3  LEU  31          1HB       LEU  31   3.129  -4.477   3.080
  230    HG   LEU  31           HG       LEU  31   1.176  -6.661   3.790
  231   HD11  LEU  31          1HD1      LEU  31   3.378  -7.519   3.236
  232   HD12  LEU  31          2HD1      LEU  31   3.048  -7.672   4.959
  233   HD13  LEU  31          3HD1      LEU  31   4.117  -6.393   4.375
  234   HD21  LEU  31          1HD2      LEU  31   2.595  -4.628   5.513
  235   HD22  LEU  31          2HD2      LEU  31   1.687  -6.009   6.118
  236   HD23  LEU  31          3HD2      LEU  31   0.857  -4.736   5.226
  237    H    CYS  32           H        CYS  32   2.367  -1.952   2.497
  238    HA   CYS  32           HA       CYS  32   2.023  -1.629  -0.388
  239    HB2  CYS  32          2HB       CYS  32   1.054   0.127   1.156
  240    HB3  CYS  32          1HB       CYS  32   2.699   0.477   1.673
  241    H    VAL  33           H        VAL  33   3.849  -1.600  -1.628
  242    HA   VAL  33           HA       VAL  33   6.383  -1.612  -0.180
  243    HB   VAL  33           HB       VAL  33   5.823  -3.901  -0.915
  244   HG11  VAL  33          1HG1      VAL  33   5.743  -2.794  -3.708
  245   HG12  VAL  33          2HG1      VAL  33   4.385  -3.442  -2.788
  246   HG13  VAL  33          3HG1      VAL  33   5.701  -4.506  -3.288
  247   HG21  VAL  33          1HG2      VAL  33   8.089  -2.695  -2.508
  248   HG22  VAL  33          2HG2      VAL  33   7.863  -4.419  -2.223
  249   HG23  VAL  33          3HG2      VAL  33   8.183  -3.339  -0.867
  250    HA   PRO  34           HA       PRO  34   7.405   1.756  -2.938
  251    HB2  PRO  34          2HB       PRO  34  10.148   1.534  -2.729
  252    HB3  PRO  34          1HB       PRO  34   9.136   2.386  -1.557
  253    HG2  PRO  34          2HG       PRO  34  10.258  -0.380  -1.437
  254    HG3  PRO  34          1HG       PRO  34  10.118   0.824  -0.143
  255    HD2  PRO  34          2HD       PRO  34   8.416  -1.226  -0.344
  256    HD3  PRO  34          1HD       PRO  34   7.877   0.377   0.198
  257    H    ASP  35           H        ASP  35   7.342   1.561  -5.048
  258    HA   ASP  35           HA       ASP  35   8.137  -0.831  -6.396
  259    HB2  ASP  35          2HB       ASP  35   7.338   1.867  -7.500
  260    HB3  ASP  35          1HB       ASP  35   7.533   0.406  -8.458
  261    H    VAL  36           H        VAL  36   9.171   2.499  -6.538
  262    HA   VAL  36           HA       VAL  36  11.838   1.545  -7.124
  263    HB   VAL  36           HB       VAL  36  12.208   3.845  -8.245
  264   HG11  VAL  36          1HG1      VAL  36  12.029   1.770  -9.524
  265   HG12  VAL  36          2HG1      VAL  36  11.254   3.102 -10.380
  266   HG13  VAL  36          3HG1      VAL  36  10.272   1.912  -9.525
  267   HG21  VAL  36          1HG2      VAL  36   9.184   3.799  -8.297
  268   HG22  VAL  36          2HG2      VAL  36  10.212   4.941  -9.165
  269   HG23  VAL  36          3HG2      VAL  36  10.181   4.943  -7.400
  Start of MODEL   14
    1    H1   LEU   1          1HT       LEU   1  14.751   1.256   1.113
    2    H2   LEU   1          2HT       LEU   1  14.081  -0.260   0.902
    3    H3   LEU   1          3HT       LEU   1  15.484  -0.112   1.791
    4    HA   LEU   1           HA       LEU   1  13.527  -0.510   3.084
    5    HB2  LEU   1          2HB       LEU   1  13.778   1.223   4.788
    6    HB3  LEU   1          1HB       LEU   1  15.338   0.725   4.188
    7    HG   LEU   1           HG       LEU   1  13.982   3.272   3.285
    8   HD11  LEU   1          1HD1      LEU   1  15.417   4.407   4.916
    9   HD12  LEU   1          2HD1      LEU   1  15.978   2.837   5.502
   10   HD13  LEU   1          3HD1      LEU   1  14.290   3.302   5.708
   11   HD21  LEU   1          1HD2      LEU   1  16.861   2.382   3.267
   12   HD22  LEU   1          2HD2      LEU   1  16.228   3.899   2.605
   13   HD23  LEU   1          3HD2      LEU   1  15.777   2.344   1.885
   14    HA   PRO   2           HA       PRO   2   9.783   1.370   1.637
   15    HB2  PRO   2          2HB       PRO   2   8.793   1.188   4.422
   16    HB3  PRO   2          1HB       PRO   2   8.129   0.442   2.958
   17    HG2  PRO   2          2HG       PRO   2   9.350  -1.024   4.798
   18    HG3  PRO   2          1HG       PRO   2   9.620  -1.337   3.071
   19    HD2  PRO   2          2HD       PRO   2  11.359   0.150   5.009
   20    HD3  PRO   2          1HD       PRO   2  11.804  -1.082   3.808
   21    H    ARG   3           H        ARG   3   9.130   3.294   1.321
   22    HA   ARG   3           HA       ARG   3   9.765   5.436   3.261
   23    HB2  ARG   3          2HB       ARG   3   9.627   5.565   0.242
   24    HB3  ARG   3          1HB       ARG   3   9.907   6.924   1.307
   25    HG2  ARG   3          2HG       ARG   3  12.025   5.863   2.031
   26    HG3  ARG   3          1HG       ARG   3  11.744   4.578   0.854
   27    HD2  ARG   3          2HD       ARG   3  13.229   6.223  -0.118
   28    HD3  ARG   3          1HD       ARG   3  11.665   6.296  -0.935
   29    HE   ARG   3           HE       ARG   3  12.069   8.122   1.280
   30   HH11  ARG   3          1HH1      ARG   3  11.866   7.769  -2.255
   31   HH12  ARG   3          2HH1      ARG   3  11.927   9.443  -2.557
   32   HH21  ARG   3          1HH2      ARG   3  12.121  10.395   0.863
   33   HH22  ARG   3          2HH2      ARG   3  12.060  10.981  -0.743
   34    H    CYS   4           H        CYS   4   7.460   3.721   2.960
   35    HA   CYS   4           HA       CYS   4   5.449   5.103   1.454
   36    HB2  CYS   4          2HB       CYS   4   5.135   2.730   3.275
   37    HB3  CYS   4          1HB       CYS   4   4.108   3.200   1.922
   38    H    ASP   5           H        ASP   5   5.796   4.108   4.857
   39    HA   ASP   5           HA       ASP   5   5.019   4.808   6.810
   40    HB2  ASP   5          2HB       ASP   5   4.829   7.404   5.352
   41    HB3  ASP   5          1HB       ASP   5   4.122   7.271   6.960
   42    H    SER   6           H        SER   6   3.133   4.250   4.339
   43    HA   SER   6           HA       SER   6   0.572   4.955   5.198
   44    HB2  SER   6          2HB       SER   6   1.426   2.592   3.518
   45    HB3  SER   6          1HB       SER   6  -0.120   3.444   3.464
   46    HG   SER   6           HG       SER   6   0.713   4.872   2.212
   47    HA   PRO   7           HA       PRO   7   0.562   1.968   8.590
   48    HB2  PRO   7          2HB       PRO   7  -1.955   2.479   9.472
   49    HB3  PRO   7          1HB       PRO   7  -0.582   3.537   9.812
   50    HG2  PRO   7          2HG       PRO   7  -2.733   3.832   7.757
   51    HG3  PRO   7          1HG       PRO   7  -1.991   5.069   8.784
   52    HD2  PRO   7          2HD       PRO   7  -1.331   4.692   6.176
   53    HD3  PRO   7          1HD       PRO   7  -0.197   5.330   7.383
   54    H    PHE   8           H        PHE   8  -1.806   2.119   6.038
   55    HA   PHE   8           HA       PHE   8  -2.039  -0.713   5.955
   56    HB2  PHE   8          2HB       PHE   8  -4.512  -0.761   6.164
   57    HB3  PHE   8          1HB       PHE   8  -3.749  -0.247   7.659
   58    HD1  PHE   8          1HD       PHE   8  -4.158   1.934   8.564
   59    HD2  PHE   8          2HD       PHE   8  -5.763   0.850   4.776
   60    HE1  PHE   8          1HE       PHE   8  -5.639   3.893   8.629
   61    HE2  PHE   8          2HE       PHE   8  -7.237   2.820   4.839
   62    HZ   PHE   8           HZ       PHE   8  -7.172   4.340   6.764
   63    H    CYS   9           H        CYS   9  -3.813  -1.139   4.149
   64    HA   CYS   9           HA       CYS   9  -4.529   0.865   2.378
   65    HB2  CYS   9          2HB       CYS   9  -2.029   0.731   1.885
   66    HB3  CYS   9          1HB       CYS   9  -2.308  -0.928   1.351
   67    H    SER  10           H        SER  10  -5.634  -0.205   0.533
   68    HA   SER  10           HA       SER  10  -6.192  -3.038   0.937
   69    HB2  SER  10          2HB       SER  10  -8.388  -0.961   1.065
   70    HB3  SER  10          1HB       SER  10  -8.565  -2.705   1.249
   71    HG   SER  10           HG       SER  10  -6.837  -2.154   3.006
   72    H    LEU  11           H        LEU  11  -7.733  -3.774  -0.821
   73    HA   LEU  11           HA       LEU  11  -6.959  -2.704  -3.295
   74    HB2  LEU  11          2HB       LEU  11  -8.601  -4.292  -4.312
   75    HB3  LEU  11          1HB       LEU  11  -7.457  -4.992  -3.188
   76    HG   LEU  11           HG       LEU  11  -9.303  -5.048  -1.467
   77   HD11  LEU  11          1HD1      LEU  11 -11.603  -4.978  -2.268
   78   HD12  LEU  11          2HD1      LEU  11 -11.023  -4.425  -3.844
   79   HD13  LEU  11          3HD1      LEU  11 -10.804  -3.413  -2.421
   80   HD21  LEU  11          1HD2      LEU  11  -9.720  -6.600  -4.001
   81   HD22  LEU  11          2HD2      LEU  11 -10.354  -7.027  -2.410
   82   HD23  LEU  11          3HD2      LEU  11  -8.613  -7.018  -2.695
   83    H    PHE  12           H        PHE  12  -9.506  -1.966  -1.248
   84    HA   PHE  12           HA       PHE  12 -11.040  -0.446  -3.160
   85    HB2  PHE  12          2HB       PHE  12 -11.116  -0.397  -0.128
   86    HB3  PHE  12          1HB       PHE  12 -12.233   0.472  -1.161
   87    HD1  PHE  12          1HD       PHE  12 -13.529  -1.030  -2.890
   88    HD2  PHE  12          2HD       PHE  12 -11.724  -2.456   0.701
   89    HE1  PHE  12          1HE       PHE  12 -15.048  -2.964  -2.889
   90    HE2  PHE  12          2HE       PHE  12 -13.239  -4.391   0.687
   91    HZ   PHE  12           HZ       PHE  12 -14.899  -4.640  -1.101
   92    H    ARG  13           H        ARG  13  -9.249   0.481  -0.264
   93    HA   ARG  13           HA       ARG  13  -8.774   3.082  -1.441
   94    HB2  ARG  13          2HB       ARG  13  -8.511   2.073   1.372
   95    HB3  ARG  13          1HB       ARG  13  -7.789   3.598   0.890
   96    HG2  ARG  13          2HG       ARG  13  -9.857   4.104   1.939
   97    HG3  ARG  13          1HG       ARG  13 -10.105   4.343   0.213
   98    HD2  ARG  13          2HD       ARG  13 -12.005   3.213   1.148
   99    HD3  ARG  13          1HD       ARG  13 -11.133   2.110   0.095
  100    HE   ARG  13           HE       ARG  13 -10.114   1.720   2.638
  101   HH11  ARG  13          1HH1      ARG  13 -13.261   1.318   1.099
  102   HH12  ARG  13          2HH1      ARG  13 -13.721  -0.009   2.064
  103   HH21  ARG  13          1HH2      ARG  13 -10.741  -0.069   3.969
  104   HH22  ARG  13          2HH2      ARG  13 -12.266  -0.803   3.771
  105    H    ILE  14           H        ILE  14  -7.302   2.528  -2.912
  106    HA   ILE  14           HA       ILE  14  -4.803   1.269  -2.089
  107    HB   ILE  14           HB       ILE  14  -4.231   1.415  -4.533
  108   HG12  ILE  14          2HG1      ILE  14  -7.085   2.407  -4.769
  109   HG13  ILE  14          1HG1      ILE  14  -5.635   3.335  -5.126
  110   HG21  ILE  14          1HG2      ILE  14  -6.779  -0.004  -3.800
  111   HG22  ILE  14          2HG2      ILE  14  -5.138  -0.622  -3.622
  112   HG23  ILE  14          3HG2      ILE  14  -5.808  -0.349  -5.234
  113   HD11  ILE  14          1HD1      ILE  14  -5.125   1.804  -6.962
  114   HD12  ILE  14          2HD1      ILE  14  -6.712   2.554  -7.150
  115   HD13  ILE  14          3HD1      ILE  14  -6.583   0.887  -6.590
  116    H    GLY  15           H        GLY  15  -6.069   4.242  -2.101
  117    HA2  GLY  15          2HA       GLY  15  -3.863   5.772  -3.123
  118    HA3  GLY  15          1HA       GLY  15  -5.291   6.398  -2.319
  119    H    LEU  16           H        LEU  16  -4.206   4.088  -0.322
  120    HA   LEU  16           HA       LEU  16  -3.088   5.889   1.566
  121    HB2  LEU  16          2HB       LEU  16  -3.185   2.900   1.426
  122    HB3  LEU  16          1HB       LEU  16  -2.200   3.681   2.636
  123    HG   LEU  16           HG       LEU  16  -4.292   2.964   3.582
  124   HD11  LEU  16          1HD1      LEU  16  -3.309   4.962   4.499
  125   HD12  LEU  16          2HD1      LEU  16  -5.067   5.017   4.586
  126   HD13  LEU  16          3HD1      LEU  16  -4.220   5.955   3.361
  127   HD21  LEU  16          1HD2      LEU  16  -6.434   3.931   2.894
  128   HD22  LEU  16          2HD2      LEU  16  -5.689   2.981   1.607
  129   HD23  LEU  16          3HD2      LEU  16  -5.621   4.741   1.554
  130    H    CYS  17           H        CYS  17  -1.709   3.790  -0.823
  131    HA   CYS  17           HA       CYS  17   0.949   4.681  -0.064
  132    HB2  CYS  17          2HB       CYS  17   0.181   2.716  -2.234
  133    HB3  CYS  17          1HB       CYS  17   1.769   3.031  -1.597
  134    H    GLY  18           H        GLY  18   1.650   6.470  -1.033
  135    HA2  GLY  18          2HA       GLY  18   0.517   7.072  -3.666
  136    HA3  GLY  18          1HA       GLY  18   0.605   8.282  -2.400
  137    H    ASP  19           H        ASP  19   1.933   7.386  -5.113
  138    HA   ASP  19           HA       ASP  19   3.490   8.399  -6.338
  139    HB2  ASP  19          2HB       ASP  19   3.299  10.232  -4.878
  140    HB3  ASP  19          1HB       ASP  19   4.464   9.555  -3.752
  141    H    LYS  20           H        LYS  20   4.454   6.815  -3.548
  142    HA   LYS  20           HA       LYS  20   6.994   6.039  -4.896
  143    HB2  LYS  20          2HB       LYS  20   6.635   6.291  -1.932
  144    HB3  LYS  20          1HB       LYS  20   8.134   6.045  -2.821
  145    HG2  LYS  20          2HG       LYS  20   7.767   8.230  -3.926
  146    HG3  LYS  20          1HG       LYS  20   6.371   8.468  -2.887
  147    HD2  LYS  20          2HD       LYS  20   7.886   8.185  -0.943
  148    HD3  LYS  20          1HD       LYS  20   9.249   8.232  -2.068
  149    HE2  LYS  20          2HE       LYS  20   7.209  10.395  -1.574
  150    HE3  LYS  20          1HE       LYS  20   8.933  10.459  -1.227
  151    HZ1  LYS  20          1HZ       LYS  20   7.687  10.366  -3.940
  152    HZ2  LYS  20          2HZ       LYS  20   9.352  10.326  -3.629
  153    HZ3  LYS  20          3HZ       LYS  20   8.461  11.677  -3.214
  154    H    CYS  21           H        CYS  21   4.192   4.769  -3.258
  155    HA   CYS  21           HA       CYS  21   5.476   2.170  -3.305
  156    HB2  CYS  21          2HB       CYS  21   3.838   3.263  -1.019
  157    HB3  CYS  21          1HB       CYS  21   4.452   1.629  -1.163
  158    H    THR  22           H        THR  22   3.907   0.438  -3.124
  159    HA   THR  22           HA       THR  22   1.248   1.104  -4.063
  160    HB   THR  22           HB       THR  22   3.068  -1.048  -5.217
  161    HG1  THR  22          1HG       THR  22   2.201   0.934  -6.907
  162   HG21  THR  22          1HG2      THR  22   1.312  -1.296  -6.923
  163   HG22  THR  22          2HG2      THR  22   0.343  -0.074  -6.101
  164   HG23  THR  22          3HG2      THR  22   0.678  -1.613  -5.308
  165    H    CYS  23           H        CYS  23  -0.247  -0.251  -3.012
  166    HA   CYS  23           HA       CYS  23   0.977  -2.065  -1.115
  167    HB2  CYS  23          2HB       CYS  23  -1.196  -2.142  -0.010
  168    HB3  CYS  23          1HB       CYS  23  -0.574  -0.502  -0.145
  169    H    VAL  24           H        VAL  24   0.543  -4.144  -0.954
  170    HA   VAL  24           HA       VAL  24  -0.780  -5.323  -3.275
  171    HB   VAL  24           HB       VAL  24   1.132  -6.613  -1.301
  172   HG11  VAL  24          1HG1      VAL  24   1.182  -8.467  -2.915
  173   HG12  VAL  24          2HG1      VAL  24  -0.040  -7.638  -3.882
  174   HG13  VAL  24          3HG1      VAL  24  -0.431  -8.199  -2.258
  175   HG21  VAL  24          1HG2      VAL  24   2.279  -4.960  -2.686
  176   HG22  VAL  24          2HG2      VAL  24   1.621  -5.707  -4.141
  177   HG23  VAL  24          3HG2      VAL  24   2.762  -6.596  -3.132
  178    HA   PRO  25           HA       PRO  25  -3.882  -6.030  -0.018
  179    HB2  PRO  25          2HB       PRO  25  -5.587  -6.717  -2.298
  180    HB3  PRO  25          1HB       PRO  25  -5.798  -5.448  -1.087
  181    HG2  PRO  25          2HG       PRO  25  -5.187  -4.886  -3.657
  182    HG3  PRO  25          1HG       PRO  25  -4.608  -3.898  -2.303
  183    HD2  PRO  25          2HD       PRO  25  -3.160  -5.992  -3.877
  184    HD3  PRO  25          1HD       PRO  25  -2.597  -4.412  -3.291
  185    H    LEU  26           H        LEU  26  -4.042  -7.921   1.005
  186    HA   LEU  26           HA       LEU  26  -4.144 -10.256  -0.641
  187    HB2  LEU  26          2HB       LEU  26  -2.504 -11.354   1.074
  188    HB3  LEU  26          1HB       LEU  26  -1.933 -10.421  -0.288
  189    HG   LEU  26           HG       LEU  26  -1.665  -8.462   1.312
  190   HD11  LEU  26          1HD1      LEU  26  -1.949 -10.577   3.423
  191   HD12  LEU  26          2HD1      LEU  26  -3.035  -9.217   3.144
  192   HD13  LEU  26          3HD1      LEU  26  -1.375  -8.926   3.672
  193   HD21  LEU  26          1HD2      LEU  26   0.019 -10.918   1.727
  194   HD22  LEU  26          2HD2      LEU  26   0.479  -9.277   2.181
  195   HD23  LEU  26          3HD2      LEU  26   0.228  -9.685   0.484
  196    HA   PRO  27           HA       PRO  27  -5.825 -10.514  -1.313
  197    HB2  PRO  27          2HB       PRO  27  -8.642 -11.057  -1.021
  198    HB3  PRO  27          1HB       PRO  27  -7.411 -12.076  -1.773
  199    HG2  PRO  27          2HG       PRO  27  -8.689 -12.787   0.514
  200    HG3  PRO  27          1HG       PRO  27  -7.018 -13.257   0.161
  201    HD2  PRO  27          2HD       PRO  27  -8.006 -10.975   1.845
  202    HD3  PRO  27          1HD       PRO  27  -6.761 -12.190   2.230
  203    H    ILE  28           H        ILE  28  -7.625  -9.058   1.296
  204    HA   ILE  28           HA       ILE  28  -8.687  -6.985  -0.512
  205    HB   ILE  28           HB       ILE  28  -9.525  -7.608   2.341
  206   HG12  ILE  28          2HG1      ILE  28 -10.988  -8.124  -0.259
  207   HG13  ILE  28          1HG1      ILE  28 -10.149  -9.353   0.680
  208   HG21  ILE  28          1HG2      ILE  28 -10.723  -5.689   0.331
  209   HG22  ILE  28          2HG2      ILE  28  -9.835  -5.245   1.789
  210   HG23  ILE  28          3HG2      ILE  28 -11.391  -6.063   1.921
  211   HD11  ILE  28          1HD1      ILE  28 -12.573  -9.379   1.044
  212   HD12  ILE  28          2HD1      ILE  28 -12.485  -7.722   1.650
  213   HD13  ILE  28          3HD1      ILE  28 -11.680  -9.024   2.519
  214    H    PHE  29           H        PHE  29  -7.349  -7.245   2.766
  215    HA   PHE  29           HA       PHE  29  -6.348  -4.507   2.607
  216    HB2  PHE  29          2HB       PHE  29  -6.377  -6.536   4.863
  217    HB3  PHE  29          1HB       PHE  29  -5.671  -4.933   4.997
  218    HD1  PHE  29          1HD       PHE  29  -8.788  -6.850   4.735
  219    HD2  PHE  29          2HD       PHE  29  -7.062  -3.002   5.267
  220    HE1  PHE  29          1HE       PHE  29 -10.965  -5.975   5.464
  221    HE2  PHE  29          2HE       PHE  29  -9.239  -2.128   5.990
  222    HZ   PHE  29           HZ       PHE  29 -11.186  -3.604   6.091
  223    H    GLY  30           H        GLY  30  -4.077  -4.089   2.750
  224    HA2  GLY  30          2HA       GLY  30  -2.395  -6.455   2.615
  225    HA3  GLY  30          1HA       GLY  30  -2.441  -5.453   1.182
  226    H    LEU  31           H        LEU  31  -0.166  -5.633   1.776
  227    HA   LEU  31           HA       LEU  31   0.722  -3.727   3.818
  228    HB2  LEU  31          2HB       LEU  31   2.250  -5.754   2.194
  229    HB3  LEU  31          1HB       LEU  31   2.921  -4.751   3.459
  230    HG   LEU  31           HG       LEU  31   0.853  -6.918   3.834
  231   HD11  LEU  31          1HD1      LEU  31   3.046  -7.808   3.303
  232   HD12  LEU  31          2HD1      LEU  31   2.633  -8.112   4.989
  233   HD13  LEU  31          3HD1      LEU  31   3.766  -6.827   4.579
  234   HD21  LEU  31          1HD2      LEU  31   0.537  -5.138   5.454
  235   HD22  LEU  31          2HD2      LEU  31   2.255  -5.160   5.845
  236   HD23  LEU  31          3HD2      LEU  31   1.246  -6.551   6.239
  237    H    CYS  32           H        CYS  32   2.271  -2.116   3.209
  238    HA   CYS  32           HA       CYS  32   1.938  -1.291   0.421
  239    HB2  CYS  32          2HB       CYS  32   1.179   0.215   2.319
  240    HB3  CYS  32          1HB       CYS  32   2.879   0.371   2.757
  241    H    VAL  33           H        VAL  33   3.668  -1.523  -0.890
  242    HA   VAL  33           HA       VAL  33   6.284  -1.747   0.394
  243    HB   VAL  33           HB       VAL  33   5.411  -3.954  -0.354
  244   HG11  VAL  33          1HG1      VAL  33   4.021  -3.313  -2.196
  245   HG12  VAL  33          2HG1      VAL  33   5.204  -4.513  -2.723
  246   HG13  VAL  33          3HG1      VAL  33   5.432  -2.812  -3.129
  247   HG21  VAL  33          1HG2      VAL  33   7.794  -3.009  -1.944
  248   HG22  VAL  33          2HG2      VAL  33   7.357  -4.695  -1.671
  249   HG23  VAL  33          3HG2      VAL  33   7.815  -3.677  -0.310
  250    HA   PRO  34           HA       PRO  34   7.461   1.562  -2.409
  251    HB2  PRO  34          2HB       PRO  34  10.158   0.935  -2.566
  252    HB3  PRO  34          1HB       PRO  34   9.441   1.880  -1.258
  253    HG2  PRO  34          2HG       PRO  34  10.105  -1.025  -1.358
  254    HG3  PRO  34          1HG       PRO  34  10.366   0.125  -0.033
  255    HD2  PRO  34          2HD       PRO  34   8.343  -1.599   0.025
  256    HD3  PRO  34          1HD       PRO  34   8.121   0.065   0.604
  257    H    ASP  35           H        ASP  35   7.022   1.420  -4.510
  258    HA   ASP  35           HA       ASP  35   7.706  -1.089  -5.897
  259    HB2  ASP  35          2HB       ASP  35   5.282  -0.491  -5.746
  260    HB3  ASP  35          1HB       ASP  35   5.638   0.964  -6.671
  261    H    VAL  36           H        VAL  36   7.563   2.415  -6.336
  262    HA   VAL  36           HA       VAL  36   9.412   2.117  -8.555
  263    HB   VAL  36           HB       VAL  36   7.951   4.620  -7.659
  264   HG11  VAL  36          1HG1      VAL  36   9.999   5.067  -8.878
  265   HG12  VAL  36          2HG1      VAL  36   8.598   5.493  -9.868
  266   HG13  VAL  36          3HG1      VAL  36   9.483   3.996 -10.180
  267   HG21  VAL  36          1HG2      VAL  36   6.362   2.940  -8.426
  268   HG22  VAL  36          2HG2      VAL  36   7.284   2.734  -9.915
  269   HG23  VAL  36          3HG2      VAL  36   6.472   4.263  -9.583
  Start of MODEL   15
    1    H1   LEU   1          1HT       LEU   1  15.497   7.490  -1.940
    2    H2   LEU   1          2HT       LEU   1  14.984   7.694  -0.342
    3    H3   LEU   1          3HT       LEU   1  14.149   8.437  -1.593
    4    HA   LEU   1           HA       LEU   1  13.392   6.435  -2.460
    5    HB2  LEU   1          2HB       LEU   1  14.921   5.184  -0.178
    6    HB3  LEU   1          1HB       LEU   1  13.757   4.323  -1.169
    7    HG   LEU   1           HG       LEU   1  16.263   5.602  -2.161
    8   HD11  LEU   1          1HD1      LEU   1  17.103   3.287  -2.422
    9   HD12  LEU   1          2HD1      LEU   1  15.631   2.684  -1.662
   10   HD13  LEU   1          3HD1      LEU   1  16.761   3.671  -0.734
   11   HD21  LEU   1          1HD2      LEU   1  15.827   4.291  -4.217
   12   HD22  LEU   1          2HD2      LEU   1  14.614   5.525  -3.900
   13   HD23  LEU   1          3HD2      LEU   1  14.261   3.833  -3.549
   14    HA   PRO   2           HA       PRO   2  10.156   7.828   0.141
   15    HB2  PRO   2          2HB       PRO   2   8.124   6.661  -1.176
   16    HB3  PRO   2          1HB       PRO   2   8.999   8.047  -1.835
   17    HG2  PRO   2          2HG       PRO   2   9.289   5.143  -2.484
   18    HG3  PRO   2          1HG       PRO   2   9.285   6.537  -3.579
   19    HD2  PRO   2          2HD       PRO   2  11.597   5.300  -2.750
   20    HD3  PRO   2          1HD       PRO   2  11.513   7.014  -3.165
   21    H    ARG   3           H        ARG   3   9.216   7.252   1.886
   22    HA   ARG   3           HA       ARG   3   8.811   4.408   2.403
   23    HB2  ARG   3          2HB       ARG   3   9.660   6.566   4.342
   24    HB3  ARG   3          1HB       ARG   3   9.196   4.938   4.800
   25    HG2  ARG   3          2HG       ARG   3  11.078   4.078   3.442
   26    HG3  ARG   3          1HG       ARG   3  11.569   5.746   3.136
   27    HD2  ARG   3          2HD       ARG   3  11.834   6.090   5.559
   28    HD3  ARG   3          1HD       ARG   3  11.366   4.413   5.835
   29    HE   ARG   3           HE       ARG   3  13.684   5.017   4.154
   30   HH11  ARG   3          1HH1      ARG   3  12.418   3.588   7.135
   31   HH12  ARG   3          2HH1      ARG   3  13.887   2.826   7.543
   32   HH21  ARG   3          1HH2      ARG   3  15.686   3.909   4.724
   33   HH22  ARG   3          2HH2      ARG   3  15.749   2.996   6.160
   34    H    CYS   4           H        CYS   4   6.706   4.149   2.179
   35    HA   CYS   4           HA       CYS   4   4.826   6.221   2.806
   36    HB2  CYS   4          2HB       CYS   4   4.336   3.311   2.141
   37    HB3  CYS   4          1HB       CYS   4   3.127   4.592   2.152
   38    H    ASP   5           H        ASP   5   5.982   3.249   4.251
   39    HA   ASP   5           HA       ASP   5   5.720   2.233   6.219
   40    HB2  ASP   5          2HB       ASP   5   5.415   5.087   7.161
   41    HB3  ASP   5          1HB       ASP   5   5.592   3.713   8.246
   42    H    SER   6           H        SER   6   3.444   2.336   4.682
   43    HA   SER   6           HA       SER   6   1.233   2.986   6.403
   44    HB2  SER   6          2HB       SER   6   1.285   1.695   3.678
   45    HB3  SER   6          1HB       SER   6  -0.120   2.412   4.481
   46    HG   SER   6           HG       SER   6   1.815   4.167   4.562
   47    HA   PRO   7           HA       PRO   7   1.454  -1.065   8.236
   48    HB2  PRO   7          2HB       PRO   7  -0.862  -0.896   9.687
   49    HB3  PRO   7          1HB       PRO   7   0.654  -0.137  10.185
   50    HG2  PRO   7          2HG       PRO   7  -1.718   1.080   8.840
   51    HG3  PRO   7          1HG       PRO   7  -0.703   1.742  10.131
   52    HD2  PRO   7          2HD       PRO   7  -0.452   2.483   7.533
   53    HD3  PRO   7          1HD       PRO   7   0.923   2.449   8.658
   54    H    PHE   8           H        PHE   8  -1.377   0.194   6.623
   55    HA   PHE   8           HA       PHE   8  -1.904  -2.378   5.451
   56    HB2  PHE   8          2HB       PHE   8  -3.966  -0.777   6.993
   57    HB3  PHE   8          1HB       PHE   8  -4.383  -2.022   5.826
   58    HD1  PHE   8          1HD       PHE   8  -3.976  -4.366   6.320
   59    HD2  PHE   8          2HD       PHE   8  -3.106  -1.328   9.167
   60    HE1  PHE   8          1HE       PHE   8  -3.846  -6.066   8.092
   61    HE2  PHE   8          2HE       PHE   8  -2.970  -3.020  10.938
   62    HZ   PHE   8           HZ       PHE   8  -3.344  -5.394  10.404
   63    H    CYS   9           H        CYS   9  -3.453  -2.104   3.712
   64    HA   CYS   9           HA       CYS   9  -3.952   0.497   2.624
   65    HB2  CYS   9          2HB       CYS   9  -1.606  -0.088   1.879
   66    HB3  CYS   9          1HB       CYS   9  -2.260  -1.564   1.177
   67    H    SER  10           H        SER  10  -5.319  -0.015   0.556
   68    HA   SER  10           HA       SER  10  -6.507  -2.672   0.651
   69    HB2  SER  10          2HB       SER  10  -8.136  -0.147   1.006
   70    HB3  SER  10          1HB       SER  10  -8.755  -1.796   0.941
   71    HG   SER  10           HG       SER  10  -6.898  -1.710   2.818
   72    H    LEU  11           H        LEU  11  -8.085  -2.871  -1.214
   73    HA   LEU  11           HA       LEU  11  -6.961  -1.671  -3.502
   74    HB2  LEU  11          2HB       LEU  11  -8.688  -2.834  -4.816
   75    HB3  LEU  11          1HB       LEU  11  -7.903  -3.881  -3.660
   76    HG   LEU  11           HG       LEU  11 -10.007  -3.531  -2.201
   77   HD11  LEU  11          1HD1      LEU  11 -10.956  -1.658  -3.433
   78   HD12  LEU  11          2HD1      LEU  11 -12.052  -3.039  -3.414
   79   HD13  LEU  11          3HD1      LEU  11 -11.117  -2.676  -4.864
   80   HD21  LEU  11          1HD2      LEU  11 -10.212  -5.024  -4.800
   81   HD22  LEU  11          2HD2      LEU  11 -11.183  -5.313  -3.355
   82   HD23  LEU  11          3HD2      LEU  11  -9.445  -5.614  -3.330
   83    H    PHE  12           H        PHE  12  -9.516  -0.814  -1.462
   84    HA   PHE  12           HA       PHE  12 -10.597   1.282  -3.146
   85    HB2  PHE  12          2HB       PHE  12 -10.945   0.860  -0.160
   86    HB3  PHE  12          1HB       PHE  12 -11.887   1.954  -1.157
   87    HD1  PHE  12          1HD       PHE  12 -13.261   0.869  -3.060
   88    HD2  PHE  12          2HD       PHE  12 -11.681  -1.288   0.257
   89    HE1  PHE  12          1HE       PHE  12 -14.908  -0.899  -3.430
   90    HE2  PHE  12          2HE       PHE  12 -13.324  -3.069  -0.116
   91    HZ   PHE  12           HZ       PHE  12 -14.943  -2.885  -1.962
   92    H    ARG  13           H        ARG  13  -8.705   1.115  -0.163
   93    HA   ARG  13           HA       ARG  13  -7.893   3.892  -0.502
   94    HB2  ARG  13          2HB       ARG  13  -7.651   2.037   1.875
   95    HB3  ARG  13          1HB       ARG  13  -6.827   3.575   1.796
   96    HG2  ARG  13          2HG       ARG  13  -8.763   3.867   3.119
   97    HG3  ARG  13          1HG       ARG  13  -9.069   4.670   1.592
   98    HD2  ARG  13          2HD       ARG  13 -10.360   2.729   0.844
   99    HD3  ARG  13          1HD       ARG  13 -10.048   1.948   2.395
  100    HE   ARG  13           HE       ARG  13 -11.220   4.501   2.723
  101   HH11  ARG  13          1HH1      ARG  13 -12.010   1.140   1.982
  102   HH12  ARG  13          2HH1      ARG  13 -13.644   1.278   2.424
  103   HH21  ARG  13          1HH2      ARG  13 -13.437   4.671   3.362
  104   HH22  ARG  13          2HH2      ARG  13 -14.479   3.338   3.248
  105    H    ILE  14           H        ILE  14  -6.501   3.549  -2.209
  106    HA   ILE  14           HA       ILE  14  -4.074   1.993  -1.643
  107    HB   ILE  14           HB       ILE  14  -3.482   2.440  -4.041
  108   HG12  ILE  14          2HG1      ILE  14  -6.287   3.565  -4.199
  109   HG13  ILE  14          1HG1      ILE  14  -4.805   4.504  -4.337
  110   HG21  ILE  14          1HG2      ILE  14  -5.096   0.871  -5.016
  111   HG22  ILE  14          2HG2      ILE  14  -6.121   1.063  -3.594
  112   HG23  ILE  14          3HG2      ILE  14  -4.520   0.344  -3.434
  113   HD11  ILE  14          1HD1      ILE  14  -4.247   3.302  -6.388
  114   HD12  ILE  14          2HD1      ILE  14  -5.830   4.079  -6.507
  115   HD13  ILE  14          3HD1      ILE  14  -5.718   2.343  -6.223
  116    H    GLY  15           H        GLY  15  -5.284   4.990  -1.275
  117    HA2  GLY  15          2HA       GLY  15  -3.284   6.728  -2.207
  118    HA3  GLY  15          1HA       GLY  15  -4.480   7.106  -0.982
  119    H    LEU  16           H        LEU  16  -3.276   4.655   0.469
  120    HA   LEU  16           HA       LEU  16  -1.533   6.076   2.191
  121    HB2  LEU  16          2HB       LEU  16  -1.962   3.112   1.838
  122    HB3  LEU  16          1HB       LEU  16  -0.958   3.792   3.099
  123    HG   LEU  16           HG       LEU  16  -2.965   3.167   4.112
  124   HD11  LEU  16          1HD1      LEU  16  -3.959   5.227   4.914
  125   HD12  LEU  16          2HD1      LEU  16  -3.147   6.117   3.631
  126   HD13  LEU  16          3HD1      LEU  16  -2.198   5.300   4.875
  127   HD21  LEU  16          1HD2      LEU  16  -5.190   3.821   3.350
  128   HD22  LEU  16          2HD2      LEU  16  -4.342   2.874   2.127
  129   HD23  LEU  16          3HD2      LEU  16  -4.478   4.623   1.951
  130    H    CYS  17           H        CYS  17  -1.067   3.995  -0.557
  131    HA   CYS  17           HA       CYS  17   1.854   4.213  -0.289
  132    HB2  CYS  17          2HB       CYS  17   0.210   2.233  -1.855
  133    HB3  CYS  17          1HB       CYS  17   1.944   2.171  -1.563
  134    H    GLY  18           H        GLY  18  -0.365   5.900  -1.514
  135    HA2  GLY  18          2HA       GLY  18  -0.762   5.905  -4.180
  136    HA3  GLY  18          1HA       GLY  18  -0.627   7.371  -3.237
  137    H    ASP  19           H        ASP  19   0.839   5.240  -5.447
  138    HA   ASP  19           HA       ASP  19   2.292   5.405  -7.085
  139    HB2  ASP  19          2HB       ASP  19   1.316   7.633  -7.360
  140    HB3  ASP  19          1HB       ASP  19   2.621   8.322  -6.401
  141    H    LYS  20           H        LYS  20   3.134   6.243  -4.034
  142    HA   LYS  20           HA       LYS  20   6.003   6.437  -4.347
  143    HB2  LYS  20          2HB       LYS  20   4.281   6.097  -1.903
  144    HB3  LYS  20          1HB       LYS  20   6.010   6.365  -1.867
  145    HG2  LYS  20          2HG       LYS  20   4.142   8.275  -3.195
  146    HG3  LYS  20          1HG       LYS  20   4.473   8.351  -1.466
  147    HD2  LYS  20          2HD       LYS  20   6.845   8.641  -1.932
  148    HD3  LYS  20          1HD       LYS  20   6.533   8.510  -3.664
  149    HE2  LYS  20          2HE       LYS  20   6.792  10.843  -2.890
  150    HE3  LYS  20          1HE       LYS  20   5.227  10.519  -3.631
  151    HZ1  LYS  20          1HZ       LYS  20   5.740  10.669  -0.692
  152    HZ2  LYS  20          2HZ       LYS  20   4.255  10.370  -1.432
  153    HZ3  LYS  20          3HZ       LYS  20   5.001  11.856  -1.641
  154    H    CYS  21           H        CYS  21   3.764   4.044  -3.008
  155    HA   CYS  21           HA       CYS  21   5.881   2.002  -3.152
  156    HB2  CYS  21          2HB       CYS  21   3.845   2.217  -0.912
  157    HB3  CYS  21          1HB       CYS  21   5.204   1.112  -1.016
  158    H    THR  22           H        THR  22   4.546  -0.253  -2.649
  159    HA   THR  22           HA       THR  22   2.145  -0.118  -4.316
  160    HB   THR  22           HB       THR  22   4.169  -2.379  -4.210
  161    HG1  THR  22          1HG       THR  22   4.058  -0.060  -5.741
  162   HG21  THR  22          1HG2      THR  22   2.985  -3.197  -6.205
  163   HG22  THR  22          2HG2      THR  22   1.884  -1.824  -6.123
  164   HG23  THR  22          3HG2      THR  22   1.873  -3.039  -4.845
  165    H    CYS  23           H        CYS  23   0.399  -1.226  -3.372
  166    HA   CYS  23           HA       CYS  23   1.138  -2.876  -1.092
  167    HB2  CYS  23          2HB       CYS  23  -1.009  -2.403  -0.066
  168    HB3  CYS  23          1HB       CYS  23  -0.070  -0.928  -0.256
  169    H    VAL  24           H        VAL  24   0.007  -4.788  -0.800
  170    HA   VAL  24           HA       VAL  24  -1.289  -5.677  -3.280
  171    HB   VAL  24           HB       VAL  24   0.154  -7.409  -1.249
  172   HG11  VAL  24          1HG1      VAL  24  -0.010  -9.162  -2.962
  173   HG12  VAL  24          2HG1      VAL  24  -0.941  -8.066  -3.981
  174   HG13  VAL  24          3HG1      VAL  24  -1.598  -8.602  -2.435
  175   HG21  VAL  24          1HG2      VAL  24   1.096  -6.492  -3.968
  176   HG22  VAL  24          2HG2      VAL  24   1.922  -7.657  -2.934
  177   HG23  VAL  24          3HG2      VAL  24   1.752  -5.981  -2.414
  178    HA   PRO  25           HA       PRO  25  -4.709  -5.945  -0.260
  179    HB2  PRO  25          2HB       PRO  25  -6.274  -5.993  -2.760
  180    HB3  PRO  25          1HB       PRO  25  -6.417  -4.903  -1.378
  181    HG2  PRO  25          2HG       PRO  25  -5.445  -4.039  -3.710
  182    HG3  PRO  25          1HG       PRO  25  -4.780  -3.468  -2.169
  183    HD2  PRO  25          2HD       PRO  25  -3.707  -5.556  -4.030
  184    HD3  PRO  25          1HD       PRO  25  -2.852  -4.242  -3.195
  185    H    LEU  26           H        LEU  26  -5.148  -7.961   0.480
  186    HA   LEU  26           HA       LEU  26  -5.687 -10.013  -1.485
  187    HB2  LEU  26          2HB       LEU  26  -4.426 -11.705  -0.252
  188    HB3  LEU  26          1HB       LEU  26  -3.402 -10.414  -0.822
  189    HG   LEU  26           HG       LEU  26  -4.338 -10.665   2.045
  190   HD11  LEU  26          1HD1      LEU  26  -1.761 -11.547   0.773
  191   HD12  LEU  26          2HD1      LEU  26  -3.018 -12.594   1.448
  192   HD13  LEU  26          3HD1      LEU  26  -2.098 -11.526   2.501
  193   HD21  LEU  26          1HD2      LEU  26  -3.603  -8.416   1.386
  194   HD22  LEU  26          2HD2      LEU  26  -2.069  -9.085   0.830
  195   HD23  LEU  26          3HD2      LEU  26  -2.498  -9.153   2.541
  196    HA   PRO  27           HA       PRO  27  -7.346  -9.989  -2.194
  197    HB2  PRO  27          2HB       PRO  27  -9.946 -10.268  -2.616
  198    HB3  PRO  27          1HB       PRO  27  -8.942 -11.682  -2.280
  199    HG2  PRO  27          2HG       PRO  27 -10.839 -10.243  -0.489
  200    HG3  PRO  27          1HG       PRO  27 -10.502 -11.973  -0.607
  201    HD2  PRO  27          2HD       PRO  27  -9.445 -10.225   1.285
  202    HD3  PRO  27          1HD       PRO  27  -8.828 -11.842   0.922
  203    H    ILE  28           H        ILE  28  -8.621  -8.283   0.430
  204    HA   ILE  28           HA       ILE  28  -9.401  -6.020  -1.301
  205    HB   ILE  28           HB       ILE  28 -10.593  -6.741   1.395
  206   HG12  ILE  28          2HG1      ILE  28 -11.839  -6.766  -1.362
  207   HG13  ILE  28          1HG1      ILE  28 -11.314  -8.195  -0.482
  208   HG21  ILE  28          1HG2      ILE  28 -11.278  -4.472  -0.489
  209   HG22  ILE  28          2HG2      ILE  28 -10.479  -4.312   1.076
  210   HG23  ILE  28          3HG2      ILE  28 -12.148  -4.876   0.992
  211   HD11  ILE  28          1HD1      ILE  28 -13.719  -7.878  -0.348
  212   HD12  ILE  28          2HD1      ILE  28 -13.469  -6.288   0.383
  213   HD13  ILE  28          3HD1      ILE  28 -12.961  -7.744   1.239
  214    H    PHE  29           H        PHE  29  -8.200  -6.860   1.934
  215    HA   PHE  29           HA       PHE  29  -6.923  -4.239   2.128
  216    HB2  PHE  29          2HB       PHE  29  -7.370  -6.371   4.240
  217    HB3  PHE  29          1HB       PHE  29  -6.726  -4.759   4.515
  218    HD1  PHE  29          1HD       PHE  29  -8.184  -2.816   4.466
  219    HD2  PHE  29          2HD       PHE  29  -9.742  -6.733   3.901
  220    HE1  PHE  29          1HE       PHE  29 -10.443  -1.978   4.849
  221    HE2  PHE  29          2HE       PHE  29 -12.004  -5.896   4.277
  222    HZ   PHE  29           HZ       PHE  29 -12.369  -3.512   4.753
  223    H    GLY  30           H        GLY  30  -4.683  -4.187   2.605
  224    HA2  GLY  30          2HA       GLY  30  -3.250  -6.692   2.654
  225    HA3  GLY  30          1HA       GLY  30  -3.024  -5.723   1.207
  226    H    LEU  31           H        LEU  31  -0.841  -6.065   2.208
  227    HA   LEU  31           HA       LEU  31  -0.244  -3.982   4.178
  228    HB2  LEU  31          2HB       LEU  31   1.474  -6.246   3.149
  229    HB3  LEU  31          1HB       LEU  31   1.910  -5.137   4.423
  230    HG   LEU  31           HG       LEU  31  -0.252  -7.236   4.542
  231   HD11  LEU  31          1HD1      LEU  31   2.351  -6.973   6.023
  232   HD12  LEU  31          2HD1      LEU  31   2.007  -8.117   4.726
  233   HD13  LEU  31          3HD1      LEU  31   1.143  -8.235   6.261
  234   HD21  LEU  31          1HD2      LEU  31  -0.521  -6.565   6.890
  235   HD22  LEU  31          2HD2      LEU  31  -0.963  -5.272   5.781
  236   HD23  LEU  31          3HD2      LEU  31   0.588  -5.219   6.620
  237    H    CYS  32           H        CYS  32   1.909  -2.821   3.671
  238    HA   CYS  32           HA       CYS  32   1.867  -2.203   0.804
  239    HB2  CYS  32          2HB       CYS  32   0.967  -0.410   2.330
  240    HB3  CYS  32          1HB       CYS  32   2.586  -0.296   3.023
  241    H    VAL  33           H        VAL  33   3.768  -2.156  -0.239
  242    HA   VAL  33           HA       VAL  33   6.157  -2.531   1.353
  243    HB   VAL  33           HB       VAL  33   5.490  -4.741   0.594
  244   HG11  VAL  33          1HG1      VAL  33   4.061  -4.149  -1.269
  245   HG12  VAL  33          2HG1      VAL  33   5.266  -5.339  -1.760
  246   HG13  VAL  33          3HG1      VAL  33   5.464  -3.644  -2.210
  247   HG21  VAL  33          1HG2      VAL  33   7.874  -4.276   0.592
  248   HG22  VAL  33          2HG2      VAL  33   7.773  -3.720  -1.080
  249   HG23  VAL  33          3HG2      VAL  33   7.443  -5.409  -0.688
  250    HA   PRO  34           HA       PRO  34   7.510   0.688  -1.418
  251    HB2  PRO  34          2HB       PRO  34  10.143   0.687  -0.670
  252    HB3  PRO  34          1HB       PRO  34   8.879   1.512   0.250
  253    HG2  PRO  34          2HG       PRO  34  10.188  -1.112   0.755
  254    HG3  PRO  34          1HG       PRO  34   9.653   0.128   1.900
  255    HD2  PRO  34          2HD       PRO  34   8.258  -2.166   1.397
  256    HD3  PRO  34          1HD       PRO  34   7.497  -0.657   1.938
  257    H    ASP  35           H        ASP  35   8.133   0.491  -3.421
  258    HA   ASP  35           HA       ASP  35   9.357  -2.038  -4.297
  259    HB2  ASP  35          2HB       ASP  35   7.181  -1.376  -5.318
  260    HB3  ASP  35          1HB       ASP  35   7.971   0.087  -5.906
  261    H    VAL  36           H        VAL  36   9.572   1.416  -4.443
  262    HA   VAL  36           HA       VAL  36  12.194   1.190  -5.607
  263    HB   VAL  36           HB       VAL  36  10.809   2.553  -7.060
  264   HG11  VAL  36          1HG1      VAL  36   9.670   4.584  -6.364
  265   HG12  VAL  36          2HG1      VAL  36  10.119   4.265  -4.688
  266   HG13  VAL  36          3HG1      VAL  36   9.034   3.162  -5.535
  267   HG21  VAL  36          1HG2      VAL  36  12.604   4.353  -5.441
  268   HG22  VAL  36          2HG2      VAL  36  11.987   4.709  -7.053
  269   HG23  VAL  36          3HG2      VAL  36  13.084   3.350  -6.810
  Start of MODEL   16
    1    H1   LEU   1          1HT       LEU   1  14.638   7.475   3.439
    2    H2   LEU   1          2HT       LEU   1  15.104   8.550   2.223
    3    H3   LEU   1          3HT       LEU   1  16.196   7.389   2.766
    4    HA   LEU   1           HA       LEU   1  15.232   6.819   0.635
    5    HB2  LEU   1          2HB       LEU   1  15.798   5.081   2.406
    6    HB3  LEU   1          1HB       LEU   1  14.097   5.095   2.842
    7    HG   LEU   1           HG       LEU   1  13.582   4.290   0.530
    8   HD11  LEU   1          1HD1      LEU   1  15.646   5.021  -0.576
    9   HD12  LEU   1          2HD1      LEU   1  15.384   3.289  -0.772
   10   HD13  LEU   1          3HD1      LEU   1  16.568   3.875   0.395
   11   HD21  LEU   1          1HD2      LEU   1  15.362   2.590   2.265
   12   HD22  LEU   1          2HD2      LEU   1  14.312   1.983   0.989
   13   HD23  LEU   1          3HD2      LEU   1  13.613   2.770   2.408
   14    HA   PRO   2           HA       PRO   2  10.985   8.211   0.040
   15    HB2  PRO   2          2HB       PRO   2  10.827   5.898  -1.823
   16    HB3  PRO   2          1HB       PRO   2  10.446   7.599  -2.123
   17    HG2  PRO   2          2HG       PRO   2  12.670   6.536  -3.109
   18    HG3  PRO   2          1HG       PRO   2  12.665   8.182  -2.448
   19    HD2  PRO   2          2HD       PRO   2  13.698   5.655  -1.190
   20    HD3  PRO   2          1HD       PRO   2  14.369   7.296  -1.148
   21    H    ARG   3           H        ARG   3   9.226   7.711   1.098
   22    HA   ARG   3           HA       ARG   3   9.159   5.103   2.383
   23    HB2  ARG   3          2HB       ARG   3   8.123   7.783   3.226
   24    HB3  ARG   3          1HB       ARG   3   7.696   6.289   4.040
   25    HG2  ARG   3          2HG       ARG   3   9.968   5.915   4.676
   26    HG3  ARG   3          1HG       ARG   3  10.517   7.271   3.687
   27    HD2  ARG   3          2HD       ARG   3   8.598   7.516   5.994
   28    HD3  ARG   3          1HD       ARG   3  10.335   7.792   6.118
   29    HE   ARG   3           HE       ARG   3   9.909   9.476   4.263
   30   HH11  ARG   3          1HH1      ARG   3   7.571   8.832   6.843
   31   HH12  ARG   3          2HH1      ARG   3   6.927  10.394   6.859
   32   HH21  ARG   3          1HH2      ARG   3   9.047  11.634   4.273
   33   HH22  ARG   3          2HH2      ARG   3   7.811  12.062   5.366
   34    H    CYS   4           H        CYS   4   7.292   4.013   2.560
   35    HA   CYS   4           HA       CYS   4   5.228   4.405   0.608
   36    HB2  CYS   4          2HB       CYS   4   5.282   2.559   3.005
   37    HB3  CYS   4          1HB       CYS   4   4.245   2.417   1.589
   38    H    ASP   5           H        ASP   5   5.717   4.716   4.039
   39    HA   ASP   5           HA       ASP   5   4.910   5.996   5.632
   40    HB2  ASP   5          2HB       ASP   5   4.879   7.857   4.056
   41    HB3  ASP   5          1HB       ASP   5   3.310   7.350   3.449
   42    H    SER   6           H        SER   6   3.434   3.645   4.301
   43    HA   SER   6           HA       SER   6   1.368   3.588   6.280
   44    HB2  SER   6          2HB       SER   6   0.741   3.289   3.338
   45    HB3  SER   6          1HB       SER   6  -0.380   2.940   4.656
   46    HG   SER   6           HG       SER   6   0.535   5.288   5.179
   47    HA   PRO   7           HA       PRO   7   2.864  -0.579   6.201
   48    HB2  PRO   7          2HB       PRO   7   1.252  -1.559   8.158
   49    HB3  PRO   7          1HB       PRO   7   2.647  -0.533   8.495
   50    HG2  PRO   7          2HG       PRO   7  -0.250   0.144   8.491
   51    HG3  PRO   7          1HG       PRO   7   1.055   0.784   9.502
   52    HD2  PRO   7          2HD       PRO   7  -0.040   2.065   7.253
   53    HD3  PRO   7          1HD       PRO   7   1.524   2.441   8.016
   54    H    PHE   8           H        PHE   8  -0.625   0.021   6.316
   55    HA   PHE   8           HA       PHE   8  -1.005  -2.259   4.562
   56    HB2  PHE   8          2HB       PHE   8  -2.766  -1.320   6.825
   57    HB3  PHE   8          1HB       PHE   8  -3.302  -2.459   5.594
   58    HD1  PHE   8          1HD       PHE   8  -1.273  -1.998   8.582
   59    HD2  PHE   8          2HD       PHE   8  -2.302  -4.683   5.447
   60    HE1  PHE   8          1HE       PHE   8  -0.293  -3.852   9.856
   61    HE2  PHE   8          2HE       PHE   8  -1.325  -6.550   6.720
   62    HZ   PHE   8           HZ       PHE   8  -0.318  -6.137   8.926
   63    H    CYS   9           H        CYS   9  -3.230  -2.070   3.506
   64    HA   CYS   9           HA       CYS   9  -4.068   0.500   2.636
   65    HB2  CYS   9          2HB       CYS   9  -1.863   0.356   1.554
   66    HB3  CYS   9          1HB       CYS   9  -2.252  -1.254   0.991
   67    H    SER  10           H        SER  10  -5.557  -0.120   0.550
   68    HA   SER  10           HA       SER  10  -6.486  -2.869   0.706
   69    HB2  SER  10          2HB       SER  10  -8.324  -0.505   1.164
   70    HB3  SER  10          1HB       SER  10  -8.795  -2.202   1.106
   71    HG   SER  10           HG       SER  10  -6.831  -1.872   2.883
   72    H    LEU  11           H        LEU  11  -8.054  -3.258  -1.105
   73    HA   LEU  11           HA       LEU  11  -7.193  -1.927  -3.435
   74    HB2  LEU  11          2HB       LEU  11  -8.860  -3.285  -4.652
   75    HB3  LEU  11          1HB       LEU  11  -7.880  -4.225  -3.554
   76    HG   LEU  11           HG       LEU  11  -9.917  -4.041  -1.948
   77   HD11  LEU  11          1HD1      LEU  11 -12.071  -3.908  -3.059
   78   HD12  LEU  11          2HD1      LEU  11 -11.271  -3.538  -4.583
   79   HD13  LEU  11          3HD1      LEU  11 -11.174  -2.400  -3.239
   80   HD21  LEU  11          1HD2      LEU  11 -10.013  -5.734  -4.430
   81   HD22  LEU  11          2HD2      LEU  11 -10.885  -6.046  -2.927
   82   HD23  LEU  11          3HD2      LEU  11  -9.123  -6.100  -2.952
   83    H    PHE  12           H        PHE  12  -9.796  -1.390  -1.293
   84    HA   PHE  12           HA       PHE  12 -11.192   0.502  -2.963
   85    HB2  PHE  12          2HB       PHE  12 -11.390   0.046   0.020
   86    HB3  PHE  12          1HB       PHE  12 -12.441   1.098  -0.903
   87    HD1  PHE  12          1HD       PHE  12 -13.882   0.031  -2.718
   88    HD2  PHE  12          2HD       PHE  12 -11.880  -2.198   0.303
   89    HE1  PHE  12          1HE       PHE  12 -15.417  -1.846  -3.079
   90    HE2  PHE  12          2HE       PHE  12 -13.409  -4.078  -0.071
   91    HZ   PHE  12           HZ       PHE  12 -15.174  -3.907  -1.758
   92    H    ARG  13           H        ARG  13  -8.625   0.604  -0.631
   93    HA   ARG  13           HA       ARG  13  -8.516   3.529  -0.868
   94    HB2  ARG  13          2HB       ARG  13  -7.855   1.988   1.654
   95    HB3  ARG  13          1HB       ARG  13  -7.883   3.729   1.462
   96    HG2  ARG  13          2HG       ARG  13 -10.253   1.869   1.452
   97    HG3  ARG  13          1HG       ARG  13  -9.807   3.010   2.716
   98    HD2  ARG  13          2HD       ARG  13 -10.242   4.876   1.218
   99    HD3  ARG  13          1HD       ARG  13 -10.574   3.756  -0.107
  100    HE   ARG  13           HE       ARG  13 -12.177   3.801   2.351
  101   HH11  ARG  13          1HH1      ARG  13 -12.038   3.890  -1.212
  102   HH12  ARG  13          2HH1      ARG  13 -13.725   3.787  -1.406
  103   HH21  ARG  13          1HH2      ARG  13 -14.494   3.670   2.045
  104   HH22  ARG  13          2HH2      ARG  13 -15.141   3.664   0.478
  105    H    ILE  14           H        ILE  14  -7.010   3.340  -2.439
  106    HA   ILE  14           HA       ILE  14  -4.517   1.930  -1.794
  107    HB   ILE  14           HB       ILE  14  -3.920   2.351  -4.197
  108   HG12  ILE  14          2HG1      ILE  14  -6.795   3.293  -4.377
  109   HG13  ILE  14          1HG1      ILE  14  -5.370   4.309  -4.563
  110   HG21  ILE  14          1HG2      ILE  14  -4.820   0.210  -3.508
  111   HG22  ILE  14          2HG2      ILE  14  -5.431   0.638  -5.107
  112   HG23  ILE  14          3HG2      ILE  14  -6.466   0.818  -3.692
  113   HD11  ILE  14          1HD1      ILE  14  -4.760   3.053  -6.564
  114   HD12  ILE  14          2HD1      ILE  14  -6.372   3.768  -6.696
  115   HD13  ILE  14          3HD1      ILE  14  -6.195   2.041  -6.353
  116    H    GLY  15           H        GLY  15  -5.789   4.835  -1.393
  117    HA2  GLY  15          2HA       GLY  15  -3.669   6.564  -2.250
  118    HA3  GLY  15          1HA       GLY  15  -5.039   7.002  -1.244
  119    H    LEU  16           H        LEU  16  -3.962   4.495   0.384
  120    HA   LEU  16           HA       LEU  16  -2.619   6.007   2.353
  121    HB2  LEU  16          2HB       LEU  16  -2.833   3.016   1.946
  122    HB3  LEU  16          1HB       LEU  16  -1.906   3.692   3.263
  123    HG   LEU  16           HG       LEU  16  -4.015   2.971   4.098
  124   HD11  LEU  16          1HD1      LEU  16  -3.981   5.971   3.942
  125   HD12  LEU  16          2HD1      LEU  16  -3.120   4.965   5.103
  126   HD13  LEU  16          3HD1      LEU  16  -4.881   5.002   5.104
  127   HD21  LEU  16          1HD2      LEU  16  -5.309   4.769   2.050
  128   HD22  LEU  16          2HD2      LEU  16  -6.155   3.899   3.330
  129   HD23  LEU  16          3HD2      LEU  16  -5.332   3.005   2.051
  130    H    CYS  17           H        CYS  17  -1.409   3.680  -0.000
  131    HA   CYS  17           HA       CYS  17   1.324   4.058   0.592
  132    HB2  CYS  17          2HB       CYS  17   0.022   3.152  -1.986
  133    HB3  CYS  17          1HB       CYS  17   1.723   2.993  -1.587
  134    H    GLY  18           H        GLY  18   2.604   5.729   0.124
  135    HA2  GLY  18          2HA       GLY  18   1.622   8.002  -1.266
  136    HA3  GLY  18          1HA       GLY  18   3.238   7.799  -0.621
  137    H    ASP  19           H        ASP  19   1.628   5.826  -3.071
  138    HA   ASP  19           HA       ASP  19   1.825   5.446  -5.251
  139    HB2  ASP  19          2HB       ASP  19   1.502   7.719  -5.553
  140    HB3  ASP  19          1HB       ASP  19   3.173   8.120  -5.191
  141    H    LYS  20           H        LYS  20   4.565   6.012  -3.519
  142    HA   LYS  20           HA       LYS  20   6.449   4.913  -5.484
  143    HB2  LYS  20          2HB       LYS  20   6.957   5.764  -2.638
  144    HB3  LYS  20          1HB       LYS  20   8.182   5.460  -3.871
  145    HG2  LYS  20          2HG       LYS  20   7.405   7.303  -5.188
  146    HG3  LYS  20          1HG       LYS  20   6.046   7.554  -4.098
  147    HD2  LYS  20          2HD       LYS  20   7.732   7.937  -2.294
  148    HD3  LYS  20          1HD       LYS  20   8.956   7.977  -3.567
  149    HE2  LYS  20          2HE       LYS  20   8.196  10.254  -3.010
  150    HE3  LYS  20          1HE       LYS  20   7.806   9.821  -4.671
  151    HZ1  LYS  20          1HZ       LYS  20   5.884   9.691  -2.398
  152    HZ2  LYS  20          2HZ       LYS  20   5.524   9.416  -4.027
  153    HZ3  LYS  20          3HZ       LYS  20   5.983  10.949  -3.515
  154    H    CYS  21           H        CYS  21   4.296   3.648  -3.528
  155    HA   CYS  21           HA       CYS  21   5.605   1.093  -3.374
  156    HB2  CYS  21          2HB       CYS  21   4.089   2.278  -1.028
  157    HB3  CYS  21          1HB       CYS  21   4.866   0.721  -1.120
  158    H    THR  22           H        THR  22   3.922  -0.531  -3.222
  159    HA   THR  22           HA       THR  22   1.305   0.487  -4.018
  160    HB   THR  22           HB       THR  22   2.721  -1.882  -5.272
  161    HG1  THR  22          1HG       THR  22   3.792   0.011  -5.889
  162   HG21  THR  22          1HG2      THR  22   0.249  -0.340  -6.072
  163   HG22  THR  22          2HG2      THR  22   0.286  -1.941  -5.332
  164   HG23  THR  22          3HG2      THR  22   0.950  -1.703  -6.953
  165    H    CYS  23           H        CYS  23  -0.407  -0.914  -3.292
  166    HA   CYS  23           HA       CYS  23   0.549  -2.800  -1.322
  167    HB2  CYS  23          2HB       CYS  23  -1.682  -2.629  -0.332
  168    HB3  CYS  23          1HB       CYS  23  -0.788  -1.108  -0.353
  169    H    VAL  24           H        VAL  24  -0.188  -4.816  -1.174
  170    HA   VAL  24           HA       VAL  24  -1.487  -5.875  -3.580
  171    HB   VAL  24           HB       VAL  24   0.038  -7.383  -1.426
  172   HG11  VAL  24          1HG1      VAL  24  -0.880  -8.255  -4.162
  173   HG12  VAL  24          2HG1      VAL  24  -1.563  -8.764  -2.617
  174   HG13  VAL  24          3HG1      VAL  24   0.086  -9.224  -3.046
  175   HG21  VAL  24          1HG2      VAL  24   1.572  -5.883  -2.583
  176   HG22  VAL  24          2HG2      VAL  24   1.021  -6.497  -4.141
  177   HG23  VAL  24          3HG2      VAL  24   1.895  -7.558  -3.037
  178    HA   PRO  25           HA       PRO  25  -4.747  -6.135  -0.415
  179    HB2  PRO  25          2HB       PRO  25  -6.660  -6.267  -2.567
  180    HB3  PRO  25          1HB       PRO  25  -6.379  -4.955  -1.418
  181    HG2  PRO  25          2HG       PRO  25  -5.812  -4.781  -4.108
  182    HG3  PRO  25          1HG       PRO  25  -5.018  -3.813  -2.858
  183    HD2  PRO  25          2HD       PRO  25  -4.049  -6.278  -4.251
  184    HD3  PRO  25          1HD       PRO  25  -3.161  -4.814  -3.763
  185    H    LEU  26           H        LEU  26  -5.051  -7.995   0.501
  186    HA   LEU  26           HA       LEU  26  -5.967 -10.132  -1.117
  187    HB2  LEU  26          2HB       LEU  26  -4.260 -11.691   0.127
  188    HB3  LEU  26          1HB       LEU  26  -3.841 -10.792  -1.312
  189    HG   LEU  26           HG       LEU  26  -2.720  -9.083   0.147
  190   HD11  LEU  26          1HD1      LEU  26  -2.052  -9.679   2.396
  191   HD12  LEU  26          2HD1      LEU  26  -3.057 -11.126   2.322
  192   HD13  LEU  26          3HD1      LEU  26  -3.804  -9.528   2.265
  193   HD21  LEU  26          1HD2      LEU  26  -0.721 -10.439   0.530
  194   HD22  LEU  26          2HD2      LEU  26  -1.447 -10.741  -1.047
  195   HD23  LEU  26          3HD2      LEU  26  -1.672 -11.899   0.265
  196    HA   PRO  27           HA       PRO  27  -7.733 -10.539  -1.419
  197    HB2  PRO  27          2HB       PRO  27 -10.466 -10.483  -0.469
  198    HB3  PRO  27          1HB       PRO  27  -9.637 -11.775  -1.337
  199    HG2  PRO  27          2HG       PRO  27 -10.433 -12.038   1.249
  200    HG3  PRO  27          1HG       PRO  27  -8.989 -12.839   0.605
  201    HD2  PRO  27          2HD       PRO  27  -9.188 -10.301   2.177
  202    HD3  PRO  27          1HD       PRO  27  -8.084 -11.676   2.406
  203    H    ILE  28           H        ILE  28  -8.812  -8.575   1.243
  204    HA   ILE  28           HA       ILE  28  -9.685  -6.433  -0.601
  205    HB   ILE  28           HB       ILE  28 -10.464  -6.874   2.298
  206   HG12  ILE  28          2HG1      ILE  28 -12.120  -7.129  -0.226
  207   HG13  ILE  28          1HG1      ILE  28 -11.511  -8.473   0.728
  208   HG21  ILE  28          1HG2      ILE  28 -12.046  -5.013   1.965
  209   HG22  ILE  28          2HG2      ILE  28 -11.364  -4.741   0.360
  210   HG23  ILE  28          3HG2      ILE  28 -10.365  -4.503   1.792
  211   HD11  ILE  28          1HD1      ILE  28 -12.882  -7.736   2.619
  212   HD12  ILE  28          2HD1      ILE  28 -13.852  -8.073   1.188
  213   HD13  ILE  28          3HD1      ILE  28 -13.500  -6.406   1.640
  214    H    PHE  29           H        PHE  29  -8.214  -6.921   2.592
  215    HA   PHE  29           HA       PHE  29  -6.856  -4.363   2.429
  216    HB2  PHE  29          2HB       PHE  29  -6.877  -6.428   4.664
  217    HB3  PHE  29          1HB       PHE  29  -6.254  -4.793   4.757
  218    HD1  PHE  29          1HD       PHE  29  -7.777  -2.892   4.948
  219    HD2  PHE  29          2HD       PHE  29  -9.244  -6.886   4.798
  220    HE1  PHE  29          1HE       PHE  29  -9.956  -2.125   5.774
  221    HE2  PHE  29          2HE       PHE  29 -11.429  -6.118   5.616
  222    HZ   PHE  29           HZ       PHE  29 -11.786  -3.732   6.105
  223    H    GLY  30           H        GLY  30  -4.567  -4.323   2.568
  224    HA2  GLY  30          2HA       GLY  30  -3.128  -6.813   2.564
  225    HA3  GLY  30          1HA       GLY  30  -3.097  -5.936   1.037
  226    H    LEU  31           H        LEU  31  -0.778  -6.250   2.045
  227    HA   LEU  31           HA       LEU  31  -0.203  -3.962   3.716
  228    HB2  LEU  31          2HB       LEU  31   2.132  -4.884   3.773
  229    HB3  LEU  31          1HB       LEU  31   0.904  -5.886   4.502
  230    HG   LEU  31           HG       LEU  31   0.934  -7.265   2.361
  231   HD11  LEU  31          1HD1      LEU  31   3.489  -5.752   1.864
  232   HD12  LEU  31          2HD1      LEU  31   2.028  -5.689   0.875
  233   HD13  LEU  31          3HD1      LEU  31   2.948  -7.191   0.998
  234   HD21  LEU  31          1HD2      LEU  31   2.895  -8.501   3.039
  235   HD22  LEU  31          2HD2      LEU  31   1.935  -7.988   4.428
  236   HD23  LEU  31          3HD2      LEU  31   3.429  -7.139   4.025
  237    H    CYS  32           H        CYS  32   1.453  -2.485   3.149
  238    HA   CYS  32           HA       CYS  32   1.421  -1.950   0.277
  239    HB2  CYS  32          2HB       CYS  32   0.666  -0.178   1.902
  240    HB3  CYS  32          1HB       CYS  32   2.308  -0.157   2.547
  241    H    VAL  33           H        VAL  33   3.212  -2.451  -0.849
  242    HA   VAL  33           HA       VAL  33   5.612  -2.895   0.735
  243    HB   VAL  33           HB       VAL  33   4.728  -5.024  -0.143
  244   HG11  VAL  33          1HG1      VAL  33   4.661  -5.527  -2.523
  245   HG12  VAL  33          2HG1      VAL  33   5.099  -3.856  -2.870
  246   HG13  VAL  33          3HG1      VAL  33   3.551  -4.214  -2.102
  247   HG21  VAL  33          1HG2      VAL  33   6.738  -5.854  -1.312
  248   HG22  VAL  33          2HG2      VAL  33   7.133  -4.872   0.097
  249   HG23  VAL  33          3HG2      VAL  33   7.279  -4.187  -1.522
  250    HA   PRO  34           HA       PRO  34   7.257   0.469  -1.558
  251    HB2  PRO  34          2HB       PRO  34   9.921  -0.110  -1.068
  252    HB3  PRO  34          1HB       PRO  34   8.876   0.851  -0.022
  253    HG2  PRO  34          2HG       PRO  34   9.703  -1.979   0.195
  254    HG3  PRO  34          1HG       PRO  34   9.390  -0.808   1.485
  255    HD2  PRO  34          2HD       PRO  34   7.664  -2.784   0.831
  256    HD3  PRO  34          1HD       PRO  34   7.121  -1.214   1.458
  257    H    ASP  35           H        ASP  35   7.704   0.716  -3.593
  258    HA   ASP  35           HA       ASP  35   8.617  -1.571  -5.129
  259    HB2  ASP  35          2HB       ASP  35   7.616   1.149  -5.972
  260    HB3  ASP  35          1HB       ASP  35   8.233  -0.039  -7.110
  261    H    VAL  36           H        VAL  36   9.783   1.120  -3.606
  262    HA   VAL  36           HA       VAL  36  12.047   1.599  -5.318
  263    HB   VAL  36           HB       VAL  36  11.558   2.582  -2.485
  264   HG11  VAL  36          1HG1      VAL  36  13.411   3.614  -4.631
  265   HG12  VAL  36          2HG1      VAL  36  13.884   2.749  -3.171
  266   HG13  VAL  36          3HG1      VAL  36  13.160   4.353  -3.050
  267   HG21  VAL  36          1HG2      VAL  36   9.735   3.312  -3.922
  268   HG22  VAL  36          2HG2      VAL  36  10.888   3.921  -5.105
  269   HG23  VAL  36          3HG2      VAL  36  10.772   4.684  -3.523
  Start of MODEL   17
    1    H1   LEU   1          1HT       LEU   1  13.963   0.272   6.755
    2    H2   LEU   1          2HT       LEU   1  13.238   0.443   5.203
    3    H3   LEU   1          3HT       LEU   1  12.332  -0.053   6.485
    4    HA   LEU   1           HA       LEU   1  12.451   1.969   7.548
    5    HB2  LEU   1          2HB       LEU   1  13.542   3.933   6.616
    6    HB3  LEU   1          1HB       LEU   1  14.712   2.678   6.926
    7    HG   LEU   1           HG       LEU   1  13.625   3.243   4.168
    8   HD11  LEU   1          1HD1      LEU   1  15.692   4.516   3.821
    9   HD12  LEU   1          2HD1      LEU   1  16.088   4.305   5.531
   10   HD13  LEU   1          3HD1      LEU   1  14.673   5.243   5.064
   11   HD21  LEU   1          1HD2      LEU   1  16.123   1.874   5.144
   12   HD22  LEU   1          2HD2      LEU   1  15.629   2.050   3.453
   13   HD23  LEU   1          3HD2      LEU   1  14.676   1.063   4.573
   14    HA   PRO   2           HA       PRO   2   8.887   2.547   5.049
   15    HB2  PRO   2          2HB       PRO   2   7.864   4.751   6.259
   16    HB3  PRO   2          1HB       PRO   2   7.751   3.127   6.947
   17    HG2  PRO   2          2HG       PRO   2   9.663   5.326   7.574
   18    HG3  PRO   2          1HG       PRO   2   8.832   4.225   8.692
   19    HD2  PRO   2          2HD       PRO   2  11.413   3.892   7.965
   20    HD3  PRO   2          1HD       PRO   2  10.337   2.518   8.305
   21    H    ARG   3           H        ARG   3   8.893   3.188   3.160
   22    HA   ARG   3           HA       ARG   3   9.738   5.927   2.541
   23    HB2  ARG   3          2HB       ARG   3   9.880   3.439   0.856
   24    HB3  ARG   3          1HB       ARG   3  10.050   5.050   0.191
   25    HG2  ARG   3          2HG       ARG   3  11.841   3.864   2.304
   26    HG3  ARG   3          1HG       ARG   3  12.211   3.911   0.578
   27    HD2  ARG   3          2HD       ARG   3  12.048   6.387   0.656
   28    HD3  ARG   3          1HD       ARG   3  11.796   6.288   2.399
   29    HE   ARG   3           HE       ARG   3  14.108   4.897   1.839
   30   HH11  ARG   3          1HH1      ARG   3  13.012   8.245   1.554
   31   HH12  ARG   3          2HH1      ARG   3  14.558   8.920   1.746
   32   HH21  ARG   3          1HH2      ARG   3  16.237   5.831   2.120
   33   HH22  ARG   3          2HH2      ARG   3  16.436   7.519   2.072
   34    H    CYS   4           H        CYS   4   7.298   3.981   2.815
   35    HA   CYS   4           HA       CYS   4   5.613   5.188   0.721
   36    HB2  CYS   4          2HB       CYS   4   4.872   2.872   2.507
   37    HB3  CYS   4          1HB       CYS   4   4.159   3.327   0.975
   38    H    ASP   5           H        ASP   5   5.956   4.690   4.161
   39    HA   ASP   5           HA       ASP   5   5.084   5.578   6.004
   40    HB2  ASP   5          2HB       ASP   5   4.502   7.860   4.124
   41    HB3  ASP   5          1HB       ASP   5   4.093   7.945   5.836
   42    H    SER   6           H        SER   6   3.507   3.812   4.486
   43    HA   SER   6           HA       SER   6   0.936   4.492   5.646
   44    HB2  SER   6          2HB       SER   6   1.381   3.275   2.908
   45    HB3  SER   6          1HB       SER   6  -0.190   3.450   3.693
   46    HG   SER   6           HG       SER   6   0.795   5.193   2.155
   47    HA   PRO   7           HA       PRO   7   2.045   0.649   7.599
   48    HB2  PRO   7          2HB       PRO   7  -0.205   0.401   9.127
   49    HB3  PRO   7          1HB       PRO   7   1.147   1.458   9.539
   50    HG2  PRO   7          2HG       PRO   7  -1.465   2.137   8.258
   51    HG3  PRO   7          1HG       PRO   7  -0.557   3.031   9.489
   52    HD2  PRO   7          2HD       PRO   7  -0.550   3.717   6.867
   53    HD3  PRO   7          1HD       PRO   7   0.846   3.993   7.933
   54    H    PHE   8           H        PHE   8  -1.112   1.114   6.062
   55    HA   PHE   8           HA       PHE   8  -0.970  -1.434   4.828
   56    HB2  PHE   8          2HB       PHE   8  -3.002  -2.412   5.778
   57    HB3  PHE   8          1HB       PHE   8  -1.830  -2.138   7.052
   58    HD1  PHE   8          1HD       PHE   8  -5.089  -1.223   5.708
   59    HD2  PHE   8          2HD       PHE   8  -2.238  -0.405   8.753
   60    HE1  PHE   8          1HE       PHE   8  -6.814  -0.010   6.991
   61    HE2  PHE   8          2HE       PHE   8  -3.952   0.811  10.031
   62    HZ   PHE   8           HZ       PHE   8  -6.235   1.008   9.154
   63    H    CYS   9           H        CYS   9  -2.702  -1.722   3.382
   64    HA   CYS   9           HA       CYS   9  -4.311   0.676   2.773
   65    HB2  CYS   9          2HB       CYS   9  -3.025  -1.209   0.801
   66    HB3  CYS   9          1HB       CYS   9  -3.965   0.220   0.394
   67    H    SER  10           H        SER  10  -6.053  -0.263   0.995
   68    HA   SER  10           HA       SER  10  -6.744  -3.007   1.581
   69    HB2  SER  10          2HB       SER  10  -9.155  -2.274   1.895
   70    HB3  SER  10          1HB       SER  10  -8.082  -1.833   3.221
   71    HG   SER  10           HG       SER  10  -8.512   0.136   2.862
   72    H    LEU  11           H        LEU  11  -8.552  -3.653   0.021
   73    HA   LEU  11           HA       LEU  11  -7.890  -3.318  -2.637
   74    HB2  LEU  11          2HB       LEU  11 -10.622  -3.826  -1.460
   75    HB3  LEU  11          1HB       LEU  11 -10.211  -4.055  -3.143
   76    HG   LEU  11           HG       LEU  11  -8.888  -5.585  -0.908
   77   HD11  LEU  11          1HD1      LEU  11 -11.243  -6.358  -2.644
   78   HD12  LEU  11          2HD1      LEU  11 -11.296  -6.044  -0.909
   79   HD13  LEU  11          3HD1      LEU  11 -10.396  -7.427  -1.527
   80   HD21  LEU  11          1HD2      LEU  11  -7.658  -5.481  -3.027
   81   HD22  LEU  11          2HD2      LEU  11  -9.084  -6.066  -3.880
   82   HD23  LEU  11          3HD2      LEU  11  -8.266  -7.106  -2.715
   83    H    PHE  12           H        PHE  12 -10.185  -1.515  -0.748
   84    HA   PHE  12           HA       PHE  12 -11.063   0.087  -2.974
   85    HB2  PHE  12          2HB       PHE  12 -11.773   0.308  -0.047
   86    HB3  PHE  12          1HB       PHE  12 -12.615   1.069  -1.390
   87    HD1  PHE  12          1HD       PHE  12 -12.302  -1.900   0.633
   88    HD2  PHE  12          2HD       PHE  12 -13.768  -0.400  -3.079
   89    HE1  PHE  12          1HE       PHE  12 -13.725  -3.877   0.398
   90    HE2  PHE  12          2HE       PHE  12 -15.202  -2.382  -3.308
   91    HZ   PHE  12           HZ       PHE  12 -15.183  -4.119  -1.578
   92    H    ARG  13           H        ARG  13  -9.074   0.486  -0.080
   93    HA   ARG  13           HA       ARG  13  -8.430   3.179  -1.010
   94    HB2  ARG  13          2HB       ARG  13  -8.384   2.016   1.775
   95    HB3  ARG  13          1HB       ARG  13  -7.437   3.432   1.368
   96    HG2  ARG  13          2HG       ARG  13  -9.474   4.123   2.432
   97    HG3  ARG  13          1HG       ARG  13  -9.534   4.604   0.742
   98    HD2  ARG  13          2HD       ARG  13 -11.683   3.744   1.431
   99    HD3  ARG  13          1HD       ARG  13 -10.946   2.641   0.276
  100    HE   ARG  13           HE       ARG  13 -10.205   1.687   2.725
  101   HH11  ARG  13          1HH1      ARG  13 -13.326   2.376   1.203
  102   HH12  ARG  13          2HH1      ARG  13 -14.131   1.099   1.987
  103   HH21  ARG  13          1HH2      ARG  13 -11.359  -0.065   3.798
  104   HH22  ARG  13          2HH2      ARG  13 -13.012  -0.289   3.448
  105    H    ILE  14           H        ILE  14  -7.000   2.577  -2.504
  106    HA   ILE  14           HA       ILE  14  -4.492   1.392  -1.509
  107    HB   ILE  14           HB       ILE  14  -3.917   1.122  -3.955
  108   HG12  ILE  14          2HG1      ILE  14  -6.863   1.635  -4.343
  109   HG13  ILE  14          1HG1      ILE  14  -5.578   2.749  -4.815
  110   HG21  ILE  14          1HG2      ILE  14  -6.288  -0.421  -2.938
  111   HG22  ILE  14          2HG2      ILE  14  -4.590  -0.783  -2.634
  112   HG23  ILE  14          3HG2      ILE  14  -5.240  -0.914  -4.267
  113   HD11  ILE  14          1HD1      ILE  14  -6.435   1.497  -6.702
  114   HD12  ILE  14          2HD1      ILE  14  -6.028  -0.021  -5.888
  115   HD13  ILE  14          3HD1      ILE  14  -4.746   1.093  -6.385
  116    H    GLY  15           H        GLY  15  -5.897   4.228  -2.005
  117    HA2  GLY  15          2HA       GLY  15  -3.856   5.652  -3.423
  118    HA3  GLY  15          1HA       GLY  15  -5.252   6.344  -2.616
  119    H    LEU  16           H        LEU  16  -3.824   4.399  -0.418
  120    HA   LEU  16           HA       LEU  16  -2.702   6.453   1.157
  121    HB2  LEU  16          2HB       LEU  16  -2.374   3.451   1.282
  122    HB3  LEU  16          1HB       LEU  16  -1.577   4.519   2.408
  123    HG   LEU  16           HG       LEU  16  -3.476   3.544   3.447
  124   HD11  LEU  16          1HD1      LEU  16  -2.996   5.811   4.089
  125   HD12  LEU  16          2HD1      LEU  16  -4.729   5.508   4.155
  126   HD13  LEU  16          3HD1      LEU  16  -4.048   6.427   2.816
  127   HD21  LEU  16          1HD2      LEU  16  -5.771   3.905   2.673
  128   HD22  LEU  16          2HD2      LEU  16  -4.818   2.976   1.515
  129   HD23  LEU  16          3HD2      LEU  16  -5.150   4.683   1.217
  130    H    CYS  17           H        CYS  17  -1.431   4.456  -1.331
  131    HA   CYS  17           HA       CYS  17   1.164   5.726  -0.939
  132    HB2  CYS  17          2HB       CYS  17   0.605   2.976  -2.044
  133    HB3  CYS  17          1HB       CYS  17   2.193   3.730  -1.921
  134    H    GLY  18           H        GLY  18   0.724   7.413  -2.269
  135    HA2  GLY  18          2HA       GLY  18  -0.333   6.950  -4.919
  136    HA3  GLY  18          1HA       GLY  18   0.058   8.505  -4.206
  137    H    ASP  19           H        ASP  19   1.296   5.713  -5.793
  138    HA   ASP  19           HA       ASP  19   2.849   5.334  -7.312
  139    HB2  ASP  19          2HB       ASP  19   2.193   7.428  -8.253
  140    HB3  ASP  19          1HB       ASP  19   3.384   8.297  -7.289
  141    H    LYS  20           H        LYS  20   3.644   6.872  -4.494
  142    HA   LYS  20           HA       LYS  20   6.466   6.728  -4.436
  143    HB2  LYS  20          2HB       LYS  20   4.571   6.230  -2.152
  144    HB3  LYS  20          1HB       LYS  20   6.280   6.585  -2.003
  145    HG2  LYS  20          2HG       LYS  20   5.893   8.793  -2.967
  146    HG3  LYS  20          1HG       LYS  20   4.165   8.431  -3.083
  147    HD2  LYS  20          2HD       LYS  20   4.164   7.996  -0.670
  148    HD3  LYS  20          1HD       LYS  20   5.842   8.513  -0.603
  149    HE2  LYS  20          2HE       LYS  20   5.225  10.726  -1.414
  150    HE3  LYS  20          1HE       LYS  20   3.539  10.229  -1.521
  151    HZ1  LYS  20          1HZ       LYS  20   5.116  10.262   0.988
  152    HZ2  LYS  20          2HZ       LYS  20   3.463   9.951   0.847
  153    HZ3  LYS  20          3HZ       LYS  20   4.060  11.480   0.527
  154    H    CYS  21           H        CYS  21   3.958   4.423  -3.759
  155    HA   CYS  21           HA       CYS  21   5.693   2.179  -4.132
  156    HB2  CYS  21          2HB       CYS  21   4.113   2.533  -1.572
  157    HB3  CYS  21          1HB       CYS  21   5.071   1.136  -2.017
  158    H    THR  22           H        THR  22   4.077   0.150  -3.753
  159    HA   THR  22           HA       THR  22   1.444   0.939  -4.730
  160    HB   THR  22           HB       THR  22   3.068  -1.510  -5.471
  161    HG1  THR  22          1HG       THR  22   3.882  -0.038  -6.782
  162   HG21  THR  22          1HG2      THR  22   1.257  -1.968  -7.072
  163   HG22  THR  22          2HG2      THR  22   0.374  -0.563  -6.476
  164   HG23  THR  22          3HG2      THR  22   0.637  -1.950  -5.419
  165    H    CYS  23           H        CYS  23  -0.220   0.162  -3.608
  166    HA   CYS  23           HA       CYS  23   0.239  -1.480  -1.297
  167    HB2  CYS  23          2HB       CYS  23  -2.343  -0.483  -2.508
  168    HB3  CYS  23          1HB       CYS  23  -2.151  -1.224  -0.927
  169    H    VAL  24           H        VAL  24   0.026  -3.600  -1.245
  170    HA   VAL  24           HA       VAL  24  -1.269  -4.984  -3.498
  171    HB   VAL  24           HB       VAL  24   0.899  -6.008  -1.625
  172   HG11  VAL  24          1HG1      VAL  24  -0.584  -7.795  -2.359
  173   HG12  VAL  24          2HG1      VAL  24   1.004  -7.959  -3.108
  174   HG13  VAL  24          3HG1      VAL  24  -0.350  -7.313  -4.037
  175   HG21  VAL  24          1HG2      VAL  24   1.076  -5.229  -4.537
  176   HG22  VAL  24          2HG2      VAL  24   2.369  -5.974  -3.599
  177   HG23  VAL  24          3HG2      VAL  24   1.791  -4.361  -3.180
  178    HA   PRO  25           HA       PRO  25  -3.988  -5.783   0.143
  179    HB2  PRO  25          2HB       PRO  25  -6.026  -6.236  -1.880
  180    HB3  PRO  25          1HB       PRO  25  -5.981  -5.009  -0.613
  181    HG2  PRO  25          2HG       PRO  25  -5.723  -4.345  -3.205
  182    HG3  PRO  25          1HG       PRO  25  -4.836  -3.491  -1.933
  183    HD2  PRO  25          2HD       PRO  25  -3.870  -5.682  -3.750
  184    HD3  PRO  25          1HD       PRO  25  -3.096  -4.130  -3.333
  185    H    LEU  26           H        LEU  26  -4.140  -7.696   1.100
  186    HA   LEU  26           HA       LEU  26  -4.953  -9.963  -0.406
  187    HB2  LEU  26          2HB       LEU  26  -3.075 -11.409   0.106
  188    HB3  LEU  26          1HB       LEU  26  -2.537 -10.034  -0.818
  189    HG   LEU  26           HG       LEU  26  -2.140 -10.349   2.166
  190   HD11  LEU  26          1HD1      LEU  26  -0.218 -10.866  -0.104
  191   HD12  LEU  26          2HD1      LEU  26  -0.926 -12.081   0.962
  192   HD13  LEU  26          3HD1      LEU  26   0.197 -10.886   1.609
  193   HD21  LEU  26          1HD2      LEU  26  -0.462  -8.588   1.917
  194   HD22  LEU  26          2HD2      LEU  26  -2.060  -8.030   1.421
  195   HD23  LEU  26          3HD2      LEU  26  -0.858  -8.448   0.203
  196    HA   PRO  27           HA       PRO  27  -6.612 -10.798  -0.273
  197    HB2  PRO  27          2HB       PRO  27  -9.068 -11.140   1.253
  198    HB3  PRO  27          1HB       PRO  27  -8.231 -12.320   0.240
  199    HG2  PRO  27          2HG       PRO  27  -8.370 -12.587   2.920
  200    HG3  PRO  27          1HG       PRO  27  -6.947 -13.105   1.999
  201    HD2  PRO  27          2HD       PRO  27  -7.390 -10.560   3.506
  202    HD3  PRO  27          1HD       PRO  27  -5.986 -11.653   3.573
  203    H    ILE  28           H        ILE  28  -7.637  -8.819   2.466
  204    HA   ILE  28           HA       ILE  28  -8.982  -6.995   0.584
  205    HB   ILE  28           HB       ILE  28  -9.404  -7.195   3.586
  206   HG12  ILE  28          2HG1      ILE  28 -11.232  -7.932   1.286
  207   HG13  ILE  28          1HG1      ILE  28 -10.432  -9.059   2.378
  208   HG21  ILE  28          1HG2      ILE  28 -10.760  -5.409   1.559
  209   HG22  ILE  28          2HG2      ILE  28  -9.637  -4.894   2.817
  210   HG23  ILE  28          3HG2      ILE  28 -11.212  -5.556   3.257
  211   HD11  ILE  28          1HD1      ILE  28 -11.732  -8.149   4.243
  212   HD12  ILE  28          2HD1      ILE  28 -12.770  -8.785   2.967
  213   HD13  ILE  28          3HD1      ILE  28 -12.538  -7.043   3.129
  214    H    PHE  29           H        PHE  29  -7.104  -7.004   3.580
  215    HA   PHE  29           HA       PHE  29  -6.214  -4.321   3.038
  216    HB2  PHE  29          2HB       PHE  29  -5.756  -6.153   5.394
  217    HB3  PHE  29          1HB       PHE  29  -5.061  -4.540   5.254
  218    HD1  PHE  29          1HD       PHE  29  -6.518  -2.578   5.204
  219    HD2  PHE  29          2HD       PHE  29  -8.041  -6.459   5.990
  220    HE1  PHE  29          1HE       PHE  29  -8.576  -1.581   6.116
  221    HE2  PHE  29          2HE       PHE  29 -10.096  -5.477   6.892
  222    HZ   PHE  29           HZ       PHE  29 -10.368  -3.042   6.957
  223    H    GLY  30           H        GLY  30  -4.114  -3.757   2.777
  224    HA2  GLY  30          2HA       GLY  30  -2.423  -5.998   1.915
  225    HA3  GLY  30          1HA       GLY  30  -2.720  -4.620   0.876
  226    H    LEU  31           H        LEU  31  -0.336  -5.408   1.386
  227    HA   LEU  31           HA       LEU  31   0.872  -3.681   3.401
  228    HB2  LEU  31          2HB       LEU  31   2.169  -5.470   1.341
  229    HB3  LEU  31          1HB       LEU  31   2.932  -4.760   2.745
  230    HG   LEU  31           HG       LEU  31   0.848  -6.940   2.768
  231   HD11  LEU  31          1HD1      LEU  31   2.669  -8.348   3.579
  232   HD12  LEU  31          2HD1      LEU  31   3.793  -7.003   3.393
  233   HD13  LEU  31          3HD1      LEU  31   3.014  -7.703   1.974
  234   HD21  LEU  31          1HD2      LEU  31   1.323  -7.077   5.159
  235   HD22  LEU  31          2HD2      LEU  31   0.641  -5.508   4.719
  236   HD23  LEU  31          3HD2      LEU  31   2.372  -5.666   5.026
  237    H    CYS  32           H        CYS  32   2.540  -2.165   2.596
  238    HA   CYS  32           HA       CYS  32   2.038  -1.424  -0.173
  239    HB2  CYS  32          2HB       CYS  32   1.175   0.300   1.395
  240    HB3  CYS  32          1HB       CYS  32   2.793   0.453   2.085
  241    H    VAL  33           H        VAL  33   3.690  -1.726  -1.429
  242    HA   VAL  33           HA       VAL  33   6.360  -1.710  -0.246
  243    HB   VAL  33           HB       VAL  33   5.570  -4.038  -0.482
  244   HG11  VAL  33          1HG1      VAL  33   5.305  -3.431  -3.407
  245   HG12  VAL  33          2HG1      VAL  33   4.011  -3.844  -2.279
  246   HG13  VAL  33          3HG1      VAL  33   5.243  -5.040  -2.694
  247   HG21  VAL  33          1HG2      VAL  33   7.766  -3.330  -2.424
  248   HG22  VAL  33          2HG2      VAL  33   7.452  -4.949  -1.799
  249   HG23  VAL  33          3HG2      VAL  33   7.953  -3.662  -0.702
  250    HA   PRO  34           HA       PRO  34   7.073   0.911  -3.777
  251    HB2  PRO  34          2HB       PRO  34   9.768   1.129  -3.547
  252    HB3  PRO  34          1HB       PRO  34   8.637   2.032  -2.537
  253    HG2  PRO  34          2HG       PRO  34  10.216  -0.410  -1.900
  254    HG3  PRO  34          1HG       PRO  34   9.798   0.957  -0.859
  255    HD2  PRO  34          2HD       PRO  34   8.529  -1.476  -0.805
  256    HD3  PRO  34          1HD       PRO  34   7.785   0.049  -0.285
  257    H    ASP  35           H        ASP  35   7.365   0.510  -5.861
  258    HA   ASP  35           HA       ASP  35   8.318  -2.039  -6.795
  259    HB2  ASP  35          2HB       ASP  35   7.671   0.501  -8.328
  260    HB3  ASP  35          1HB       ASP  35   7.994  -1.062  -9.056
  261    H    VAL  36           H        VAL  36   9.333   1.281  -6.830
  262    HA   VAL  36           HA       VAL  36  12.072   0.457  -7.260
  263    HB   VAL  36           HB       VAL  36  12.439   2.593  -8.596
  264   HG11  VAL  36          1HG1      VAL  36  11.550   1.694 -10.700
  265   HG12  VAL  36          2HG1      VAL  36  10.534   0.580  -9.785
  266   HG13  VAL  36          3HG1      VAL  36  12.289   0.434  -9.712
  267   HG21  VAL  36          1HG2      VAL  36  10.485   3.621  -9.695
  268   HG22  VAL  36          2HG2      VAL  36  10.427   3.817  -7.942
  269   HG23  VAL  36          3HG2      VAL  36   9.416   2.602  -8.724
  Start of MODEL   18
    1    H1   LEU   1          1HT       LEU   1  15.319   1.719  -0.876
    2    H2   LEU   1          2HT       LEU   1  15.436   2.393   0.672
    3    H3   LEU   1          3HT       LEU   1  15.115   3.384  -0.639
    4    HA   LEU   1           HA       LEU   1  12.999   2.324  -0.940
    5    HB2  LEU   1          2HB       LEU   1  13.866   0.835   1.540
    6    HB3  LEU   1          1HB       LEU   1  12.184   1.035   1.136
    7    HG   LEU   1           HG       LEU   1  12.571  -0.271  -0.962
    8   HD11  LEU   1          1HD1      LEU   1  14.608  -1.626  -1.144
    9   HD12  LEU   1          2HD1      LEU   1  15.323  -0.699   0.177
   10   HD13  LEU   1          3HD1      LEU   1  14.905   0.095  -1.343
   11   HD21  LEU   1          1HD2      LEU   1  11.723  -1.350   1.055
   12   HD22  LEU   1          2HD2      LEU   1  13.374  -1.658   1.581
   13   HD23  LEU   1          3HD2      LEU   1  12.755  -2.434   0.125
   14    HA   PRO   2           HA       PRO   2  12.119   5.938   1.688
   15    HB2  PRO   2          2HB       PRO   2   9.549   5.991   0.349
   16    HB3  PRO   2          1HB       PRO   2  10.866   7.155   0.223
   17    HG2  PRO   2          2HG       PRO   2  10.105   5.551  -1.831
   18    HG3  PRO   2          1HG       PRO   2  11.761   6.141  -1.617
   19    HD2  PRO   2          2HD       PRO   2  10.611   3.458  -0.983
   20    HD3  PRO   2          1HD       PRO   2  12.187   3.913  -1.679
   21    H    ARG   3           H        ARG   3  10.276   6.587   2.950
   22    HA   ARG   3           HA       ARG   3   9.252   4.312   4.454
   23    HB2  ARG   3          2HB       ARG   3   9.121   7.274   4.976
   24    HB3  ARG   3          1HB       ARG   3   8.685   5.990   6.089
   25    HG2  ARG   3          2HG       ARG   3  10.942   5.296   6.313
   26    HG3  ARG   3          1HG       ARG   3  11.453   6.357   4.997
   27    HD2  ARG   3          2HD       ARG   3  10.323   7.224   7.652
   28    HD3  ARG   3          1HD       ARG   3  12.010   7.337   7.152
   29    HE   ARG   3           HE       ARG   3   9.869   8.743   5.704
   30   HH11  ARG   3          1HH1      ARG   3  12.966   8.856   7.411
   31   HH12  ARG   3          2HH1      ARG   3  13.287  10.472   7.002
   32   HH21  ARG   3          1HH2      ARG   3  10.274  10.920   5.161
   33   HH22  ARG   3          2HH2      ARG   3  11.691  11.707   5.673
   34    H    CYS   4           H        CYS   4   7.320   3.594   3.700
   35    HA   CYS   4           HA       CYS   4   5.676   5.135   2.011
   36    HB2  CYS   4          2HB       CYS   4   4.940   2.636   3.535
   37    HB3  CYS   4          1HB       CYS   4   4.093   3.300   2.144
   38    H    ASP   5           H        ASP   5   5.655   4.559   5.477
   39    HA   ASP   5           HA       ASP   5   4.463   5.391   7.212
   40    HB2  ASP   5          2HB       ASP   5   5.134   7.605   6.242
   41    HB3  ASP   5          1HB       ASP   5   3.693   7.593   5.241
   42    H    SER   6           H        SER   6   3.327   3.613   5.187
   43    HA   SER   6           HA       SER   6   0.460   4.104   5.451
   44    HB2  SER   6          2HB       SER   6   1.885   2.065   3.757
   45    HB3  SER   6          1HB       SER   6   0.215   2.614   3.598
   46    HG   SER   6           HG       SER   6   0.877   4.349   2.571
   47    HA   PRO   7           HA       PRO   7   0.949   0.845   8.574
   48    HB2  PRO   7          2HB       PRO   7  -1.637   0.955   9.489
   49    HB3  PRO   7          1HB       PRO   7  -0.355   2.027  10.049
   50    HG2  PRO   7          2HG       PRO   7  -2.541   2.556   8.093
   51    HG3  PRO   7          1HG       PRO   7  -1.805   3.646   9.275
   52    HD2  PRO   7          2HD       PRO   7  -1.245   3.669   6.600
   53    HD3  PRO   7          1HD       PRO   7  -0.120   4.239   7.846
   54    H    PHE   8           H        PHE   8  -1.702   1.115   6.257
   55    HA   PHE   8           HA       PHE   8  -1.600  -1.717   5.706
   56    HB2  PHE   8          2HB       PHE   8  -4.017  -2.035   6.030
   57    HB3  PHE   8          1HB       PHE   8  -3.278  -1.548   7.548
   58    HD1  PHE   8          1HD       PHE   8  -3.661   0.766   8.408
   59    HD2  PHE   8          2HD       PHE   8  -5.693  -0.699   4.959
   60    HE1  PHE   8          1HE       PHE   8  -5.300   2.591   8.593
   61    HE2  PHE   8          2HE       PHE   8  -7.323   1.124   5.145
   62    HZ   PHE   8           HZ       PHE   8  -7.126   2.771   6.959
   63    H    CYS   9           H        CYS   9  -3.403  -2.047   3.886
   64    HA   CYS   9           HA       CYS   9  -4.192   0.278   2.462
   65    HB2  CYS   9          2HB       CYS   9  -1.784  -0.144   1.738
   66    HB3  CYS   9          1HB       CYS   9  -2.339  -1.682   1.077
   67    H    SER  10           H        SER  10  -5.564  -0.502   0.600
   68    HA   SER  10           HA       SER  10  -6.420  -3.274   0.686
   69    HB2  SER  10          2HB       SER  10  -8.339  -1.042   1.437
   70    HB3  SER  10          1HB       SER  10  -8.739  -2.750   1.268
   71    HG   SER  10           HG       SER  10  -6.717  -2.576   2.914
   72    H    LEU  11           H        LEU  11  -8.271  -3.516  -1.050
   73    HA   LEU  11           HA       LEU  11  -7.442  -1.992  -3.286
   74    HB2  LEU  11          2HB       LEU  11  -9.060  -3.192  -4.637
   75    HB3  LEU  11          1HB       LEU  11  -8.193  -4.295  -3.595
   76    HG   LEU  11           HG       LEU  11 -10.931  -3.317  -2.869
   77   HD11  LEU  11          1HD1      LEU  11 -11.823  -5.356  -3.944
   78   HD12  LEU  11          2HD1      LEU  11 -10.211  -5.730  -4.555
   79   HD13  LEU  11          3HD1      LEU  11 -11.061  -4.295  -5.129
   80   HD21  LEU  11          1HD2      LEU  11  -9.808  -4.461  -1.087
   81   HD22  LEU  11          2HD2      LEU  11  -9.309  -5.746  -2.185
   82   HD23  LEU  11          3HD2      LEU  11 -11.010  -5.556  -1.769
   83    H    PHE  12           H        PHE  12  -9.849  -1.631  -0.957
   84    HA   PHE  12           HA       PHE  12 -11.351   0.369  -2.437
   85    HB2  PHE  12          2HB       PHE  12 -11.579  -0.453   0.468
   86    HB3  PHE  12          1HB       PHE  12 -12.721   0.551  -0.414
   87    HD1  PHE  12          1HD       PHE  12 -11.814  -2.769   0.521
   88    HD2  PHE  12          2HD       PHE  12 -13.939  -0.512  -2.396
   89    HE1  PHE  12          1HE       PHE  12 -13.056  -4.784  -0.135
   90    HE2  PHE  12          2HE       PHE  12 -15.183  -2.527  -3.046
   91    HZ   PHE  12           HZ       PHE  12 -14.738  -4.666  -1.915
   92    H    ARG  13           H        ARG  13  -8.562   0.224  -0.585
   93    HA   ARG  13           HA       ARG  13  -8.523   3.116  -0.231
   94    HB2  ARG  13          2HB       ARG  13  -7.700   1.126   1.913
   95    HB3  ARG  13          1HB       ARG  13  -7.382   2.846   1.969
   96    HG2  ARG  13          2HG       ARG  13 -10.106   1.562   2.003
   97    HG3  ARG  13          1HG       ARG  13  -9.245   2.200   3.406
   98    HD2  ARG  13          2HD       ARG  13 -10.221   3.766   1.013
   99    HD3  ARG  13          1HD       ARG  13 -10.893   3.794   2.642
  100    HE   ARG  13           HE       ARG  13  -8.336   4.533   3.053
  101   HH11  ARG  13          1HH1      ARG  13 -10.899   5.769   0.951
  102   HH12  ARG  13          2HH1      ARG  13 -10.256   7.327   0.827
  103   HH21  ARG  13          1HH2      ARG  13  -7.437   6.663   2.910
  104   HH22  ARG  13          2HH2      ARG  13  -8.242   7.874   2.012
  105    H    ILE  14           H        ILE  14  -7.250   2.944  -2.135
  106    HA   ILE  14           HA       ILE  14  -4.650   1.605  -1.814
  107    HB   ILE  14           HB       ILE  14  -4.397   1.990  -4.298
  108   HG12  ILE  14          2HG1      ILE  14  -7.337   2.680  -4.097
  109   HG13  ILE  14          1HG1      ILE  14  -6.041   3.774  -4.559
  110   HG21  ILE  14          1HG2      ILE  14  -5.826   0.106  -4.945
  111   HG22  ILE  14          2HG2      ILE  14  -6.661   0.230  -3.397
  112   HG23  ILE  14          3HG2      ILE  14  -4.949  -0.191  -3.443
  113   HD11  ILE  14          1HD1      ILE  14  -7.286   3.031  -6.486
  114   HD12  ILE  14          2HD1      ILE  14  -6.949   1.346  -6.083
  115   HD13  ILE  14          3HD1      ILE  14  -5.632   2.421  -6.556
  116    H    GLY  15           H        GLY  15  -6.018   4.535  -1.473
  117    HA2  GLY  15          2HA       GLY  15  -4.021   6.223  -2.622
  118    HA3  GLY  15          1HA       GLY  15  -5.277   6.710  -1.491
  119    H    LEU  16           H        LEU  16  -3.866   4.186  -0.086
  120    HA   LEU  16           HA       LEU  16  -2.428   5.675   1.851
  121    HB2  LEU  16          2HB       LEU  16  -2.640   2.731   1.279
  122    HB3  LEU  16          1HB       LEU  16  -1.516   3.327   2.471
  123    HG   LEU  16           HG       LEU  16  -3.521   2.479   3.520
  124   HD11  LEU  16          1HD1      LEU  16  -3.329   5.464   3.749
  125   HD12  LEU  16          2HD1      LEU  16  -2.381   4.268   4.630
  126   HD13  LEU  16          3HD1      LEU  16  -4.119   4.385   4.899
  127   HD21  LEU  16          1HD2      LEU  16  -5.690   3.563   3.247
  128   HD22  LEU  16          2HD2      LEU  16  -5.128   2.855   1.731
  129   HD23  LEU  16          3HD2      LEU  16  -5.021   4.596   1.984
  130    H    CYS  17           H        CYS  17  -1.570   4.198  -1.143
  131    HA   CYS  17           HA       CYS  17   1.266   4.773  -0.632
  132    HB2  CYS  17          2HB       CYS  17   0.287   2.866  -2.746
  133    HB3  CYS  17          1HB       CYS  17   1.851   2.985  -2.001
  134    H    GLY  18           H        GLY  18   2.136   6.322  -1.968
  135    HA2  GLY  18          2HA       GLY  18   0.673   6.944  -4.417
  136    HA3  GLY  18          1HA       GLY  18   0.990   8.217  -3.250
  137    H    ASP  19           H        ASP  19   2.215   6.327  -5.777
  138    HA   ASP  19           HA       ASP  19   3.749   6.695  -7.294
  139    HB2  ASP  19          2HB       ASP  19   3.421   8.964  -7.041
  140    HB3  ASP  19          1HB       ASP  19   4.470   9.087  -5.634
  141    H    LYS  20           H        LYS  20   4.690   6.520  -4.109
  142    HA   LYS  20           HA       LYS  20   7.381   5.599  -4.916
  143    HB2  LYS  20          2HB       LYS  20   6.471   6.245  -2.121
  144    HB3  LYS  20          1HB       LYS  20   8.108   5.901  -2.647
  145    HG2  LYS  20          2HG       LYS  20   8.043   7.914  -4.071
  146    HG3  LYS  20          1HG       LYS  20   6.443   8.273  -3.428
  147    HD2  LYS  20          2HD       LYS  20   7.365   8.275  -1.187
  148    HD3  LYS  20          1HD       LYS  20   8.988   8.048  -1.839
  149    HE2  LYS  20          2HE       LYS  20   7.160  10.414  -2.314
  150    HE3  LYS  20          1HE       LYS  20   8.624  10.401  -1.342
  151    HZ1  LYS  20          1HZ       LYS  20   9.888   9.901  -3.384
  152    HZ2  LYS  20          2HZ       LYS  20   9.078  11.356  -3.490
  153    HZ3  LYS  20          3HZ       LYS  20   8.471  10.019  -4.286
  154    H    CYS  21           H        CYS  21   4.581   4.593  -2.991
  155    HA   CYS  21           HA       CYS  21   5.798   1.956  -2.885
  156    HB2  CYS  21          2HB       CYS  21   3.857   3.207  -0.937
  157    HB3  CYS  21          1HB       CYS  21   4.572   1.614  -0.824
  158    H    THR  22           H        THR  22   4.232   0.219  -2.854
  159    HA   THR  22           HA       THR  22   1.689   0.827  -4.132
  160    HB   THR  22           HB       THR  22   3.676  -1.283  -5.057
  161    HG1  THR  22          1HG       THR  22   3.359   1.359  -5.715
  162   HG21  THR  22          1HG2      THR  22   1.332  -1.903  -5.414
  163   HG22  THR  22          2HG2      THR  22   2.136  -1.565  -6.951
  164   HG23  THR  22          3HG2      THR  22   1.045  -0.371  -6.242
  165    H    CYS  23           H        CYS  23   0.076  -0.749  -3.441
  166    HA   CYS  23           HA       CYS  23   1.116  -2.578  -1.413
  167    HB2  CYS  23          2HB       CYS  23  -1.027  -2.442  -0.279
  168    HB3  CYS  23          1HB       CYS  23  -0.308  -0.844  -0.420
  169    H    VAL  24           H        VAL  24   0.009  -4.525  -1.145
  170    HA   VAL  24           HA       VAL  24  -1.409  -5.371  -3.534
  171    HB   VAL  24           HB       VAL  24   0.736  -6.489  -3.537
  172   HG11  VAL  24          1HG1      VAL  24   0.154  -7.381  -0.719
  173   HG12  VAL  24          2HG1      VAL  24   1.410  -6.252  -1.229
  174   HG13  VAL  24          3HG1      VAL  24   1.496  -7.947  -1.711
  175   HG21  VAL  24          1HG2      VAL  24  -1.123  -7.857  -4.249
  176   HG22  VAL  24          2HG2      VAL  24  -1.425  -8.359  -2.585
  177   HG23  VAL  24          3HG2      VAL  24   0.061  -8.853  -3.397
  178    HA   PRO  25           HA       PRO  25  -4.435  -6.086  -0.246
  179    HB2  PRO  25          2HB       PRO  25  -6.402  -6.078  -2.384
  180    HB3  PRO  25          1HB       PRO  25  -6.209  -4.911  -1.076
  181    HG2  PRO  25          2HG       PRO  25  -5.716  -4.299  -3.676
  182    HG3  PRO  25          1HG       PRO  25  -4.863  -3.532  -2.329
  183    HD2  PRO  25          2HD       PRO  25  -3.963  -5.775  -4.102
  184    HD3  PRO  25          1HD       PRO  25  -3.068  -4.344  -3.525
  185    H    LEU  26           H        LEU  26  -4.503  -8.189   0.371
  186    HA   LEU  26           HA       LEU  26  -5.364 -10.069  -1.633
  187    HB2  LEU  26          2HB       LEU  26  -3.738 -11.767  -1.004
  188    HB3  LEU  26          1HB       LEU  26  -2.974 -10.336  -1.636
  189    HG   LEU  26           HG       LEU  26  -3.095 -11.013   1.310
  190   HD11  LEU  26          1HD1      LEU  26  -0.943 -11.532  -0.735
  191   HD12  LEU  26          2HD1      LEU  26  -1.890 -12.752   0.122
  192   HD13  LEU  26          3HD1      LEU  26  -0.745 -11.740   1.000
  193   HD21  LEU  26          1HD2      LEU  26  -1.331  -9.107  -0.235
  194   HD22  LEU  26          2HD2      LEU  26  -1.231  -9.433   1.494
  195   HD23  LEU  26          3HD2      LEU  26  -2.660  -8.645   0.825
  196    HA   PRO  27           HA       PRO  27  -7.124 -10.362  -1.995
  197    HB2  PRO  27          2HB       PRO  27  -9.844 -10.824  -1.162
  198    HB3  PRO  27          1HB       PRO  27  -8.848 -11.818  -2.225
  199    HG2  PRO  27          2HG       PRO  27  -9.663 -12.669   0.219
  200    HG3  PRO  27          1HG       PRO  27  -8.125 -13.168  -0.505
  201    HD2  PRO  27          2HD       PRO  27  -8.644 -10.984   1.482
  202    HD3  PRO  27          1HD       PRO  27  -7.414 -12.275   1.552
  203    H    ILE  28           H        ILE  28  -8.266  -9.062   1.040
  204    HA   ILE  28           HA       ILE  28  -9.469  -6.785  -0.384
  205    HB   ILE  28           HB       ILE  28  -9.935  -7.596   2.503
  206   HG12  ILE  28          2HG1      ILE  28 -10.937  -9.228   0.961
  207   HG13  ILE  28          1HG1      ILE  28 -12.178  -8.301   1.792
  208   HG21  ILE  28          1HG2      ILE  28 -11.766  -5.941   2.449
  209   HG22  ILE  28          2HG2      ILE  28 -11.243  -5.465   0.826
  210   HG23  ILE  28          3HG2      ILE  28 -10.176  -5.216   2.198
  211   HD11  ILE  28          1HD1      ILE  28 -11.241  -7.888  -1.044
  212   HD12  ILE  28          2HD1      ILE  28 -12.481  -6.937  -0.223
  213   HD13  ILE  28          3HD1      ILE  28 -12.745  -8.652  -0.536
  214    H    PHE  29           H        PHE  29  -7.724  -7.498   2.599
  215    HA   PHE  29           HA       PHE  29  -6.576  -4.820   2.583
  216    HB2  PHE  29          2HB       PHE  29  -6.594  -7.005   4.684
  217    HB3  PHE  29          1HB       PHE  29  -5.745  -5.481   4.861
  218    HD1  PHE  29          1HD       PHE  29  -6.934  -3.452   5.348
  219    HD2  PHE  29          2HD       PHE  29  -9.045  -7.101   4.765
  220    HE1  PHE  29          1HE       PHE  29  -8.954  -2.435   6.314
  221    HE2  PHE  29          2HE       PHE  29 -11.065  -6.083   5.725
  222    HZ   PHE  29           HZ       PHE  29 -11.024  -3.751   6.499
  223    H    GLY  30           H        GLY  30  -4.259  -4.576   2.849
  224    HA2  GLY  30          2HA       GLY  30  -2.586  -6.888   2.618
  225    HA3  GLY  30          1HA       GLY  30  -2.652  -5.884   1.181
  226    H    LEU  31           H        LEU  31  -0.288  -5.886   2.018
  227    HA   LEU  31           HA       LEU  31   0.055  -3.582   3.802
  228    HB2  LEU  31          2HB       LEU  31   2.051  -5.696   2.976
  229    HB3  LEU  31          1HB       LEU  31   2.414  -4.324   3.998
  230    HG   LEU  31           HG       LEU  31   0.529  -6.579   4.686
  231   HD11  LEU  31          1HD1      LEU  31   2.863  -7.271   4.698
  232   HD12  LEU  31          2HD1      LEU  31   2.219  -7.194   6.336
  233   HD13  LEU  31          3HD1      LEU  31   3.270  -5.908   5.744
  234   HD21  LEU  31          1HD2      LEU  31   0.487  -5.567   6.930
  235   HD22  LEU  31          2HD2      LEU  31  -0.195  -4.492   5.715
  236   HD23  LEU  31          3HD2      LEU  31   1.436  -4.207   6.326
  237    H    CYS  32           H        CYS  32   1.646  -2.015   3.205
  238    HA   CYS  32           HA       CYS  32   1.745  -1.629   0.306
  239    HB2  CYS  32          2HB       CYS  32   0.600   0.105   1.713
  240    HB3  CYS  32          1HB       CYS  32   2.130   0.377   2.536
  241    H    VAL  33           H        VAL  33   3.697  -1.577  -0.693
  242    HA   VAL  33           HA       VAL  33   6.062  -1.662   1.014
  243    HB   VAL  33           HB       VAL  33   5.530  -3.960   0.348
  244   HG11  VAL  33          1HG1      VAL  33   4.220  -3.568  -1.641
  245   HG12  VAL  33          2HG1      VAL  33   5.536  -4.692  -1.992
  246   HG13  VAL  33          3HG1      VAL  33   5.653  -3.008  -2.504
  247   HG21  VAL  33          1HG2      VAL  33   7.900  -2.889  -1.173
  248   HG22  VAL  33          2HG2      VAL  33   7.612  -4.588  -0.810
  249   HG23  VAL  33          3HG2      VAL  33   7.888  -3.443   0.503
  250    HA   PRO  34           HA       PRO  34   7.500   1.490  -1.831
  251    HB2  PRO  34          2HB       PRO  34  10.189   1.251  -1.281
  252    HB3  PRO  34          1HB       PRO  34   9.058   2.163  -0.271
  253    HG2  PRO  34          2HG       PRO  34  10.115  -0.601   0.081
  254    HG3  PRO  34          1HG       PRO  34   9.865   0.661   1.306
  255    HD2  PRO  34          2HD       PRO  34   8.169  -1.396   0.991
  256    HD3  PRO  34          1HD       PRO  34   7.600   0.220   1.453
  257    H    ASP  35           H        ASP  35   7.514   1.029  -3.908
  258    HA   ASP  35           HA       ASP  35   9.011  -1.349  -4.805
  259    HB2  ASP  35          2HB       ASP  35   6.536  -1.542  -5.005
  260    HB3  ASP  35          1HB       ASP  35   6.569  -0.123  -6.052
  261    H    VAL  36           H        VAL  36   8.620   2.039  -5.143
  262    HA   VAL  36           HA       VAL  36  10.108   1.971  -7.615
  263    HB   VAL  36           HB       VAL  36   8.683   4.327  -6.327
  264   HG11  VAL  36          1HG1      VAL  36   9.996   4.082  -9.037
  265   HG12  VAL  36          2HG1      VAL  36  10.585   5.042  -7.679
  266   HG13  VAL  36          3HG1      VAL  36   9.066   5.469  -8.471
  267   HG21  VAL  36          1HG2      VAL  36   7.908   2.644  -8.715
  268   HG22  VAL  36          2HG2      VAL  36   7.055   4.083  -8.154
  269   HG23  VAL  36          3HG2      VAL  36   7.114   2.641  -7.140
  Start of MODEL   19
    1    H1   LEU   1          1HT       LEU   1   7.641  -1.289   6.896
    2    H2   LEU   1          2HT       LEU   1   8.794  -2.134   6.095
    3    H3   LEU   1          3HT       LEU   1   7.297  -2.865   6.343
    4    HA   LEU   1           HA       LEU   1   7.473  -2.123   4.061
    5    HB2  LEU   1          2HB       LEU   1   5.888  -0.130   5.706
    6    HB3  LEU   1          1HB       LEU   1   5.824  -0.192   3.968
    7    HG   LEU   1           HG       LEU   1   4.890  -2.552   4.235
    8   HD11  LEU   1          1HD1      LEU   1   5.547  -2.945   6.543
    9   HD12  LEU   1          2HD1      LEU   1   3.800  -3.054   6.339
   10   HD13  LEU   1          3HD1      LEU   1   4.510  -1.616   7.066
   11   HD21  LEU   1          1HD2      LEU   1   2.646  -1.716   4.671
   12   HD22  LEU   1          2HD2      LEU   1   3.548  -0.646   3.601
   13   HD23  LEU   1          3HD2      LEU   1   3.326  -0.215   5.294
   14    HA   PRO   2           HA       PRO   2  10.251   1.408   3.187
   15    HB2  PRO   2          2HB       PRO   2   9.066   2.414   0.975
   16    HB3  PRO   2          1HB       PRO   2   9.998   0.912   0.906
   17    HG2  PRO   2          2HG       PRO   2   7.035   1.277   1.169
   18    HG3  PRO   2          1HG       PRO   2   7.921   0.234   0.041
   19    HD2  PRO   2          2HD       PRO   2   6.869  -0.807   2.238
   20    HD3  PRO   2          1HD       PRO   2   8.502  -1.290   1.737
   21    H    ARG   3           H        ARG   3  10.023   3.731   2.638
   22    HA   ARG   3           HA       ARG   3   8.384   4.804   4.705
   23    HB2  ARG   3          2HB       ARG   3  10.223   6.192   2.774
   24    HB3  ARG   3          1HB       ARG   3   9.499   6.864   4.232
   25    HG2  ARG   3          2HG       ARG   3  10.751   5.325   5.604
   26    HG3  ARG   3          1HG       ARG   3  11.430   4.569   4.169
   27    HD2  ARG   3          2HD       ARG   3  11.822   7.431   5.029
   28    HD3  ARG   3          1HD       ARG   3  13.005   6.130   5.134
   29    HE   ARG   3           HE       ARG   3  12.268   6.220   2.506
   30   HH11  ARG   3          1HH1      ARG   3  13.755   8.477   4.781
   31   HH12  ARG   3          2HH1      ARG   3  14.561   9.382   3.589
   32   HH21  ARG   3          1HH2      ARG   3  13.381   7.452   0.866
   33   HH22  ARG   3          2HH2      ARG   3  14.349   8.785   1.299
   34    H    CYS   4           H        CYS   4   6.325   4.566   4.023
   35    HA   CYS   4           HA       CYS   4   5.447   6.400   1.905
   36    HB2  CYS   4          2HB       CYS   4   4.226   3.731   2.650
   37    HB3  CYS   4          1HB       CYS   4   3.568   4.848   1.465
   38    H    ASP   5           H        ASP   5   5.558   5.838   5.133
   39    HA   ASP   5           HA       ASP   5   4.633   6.760   6.946
   40    HB2  ASP   5          2HB       ASP   5   4.667   8.885   5.761
   41    HB3  ASP   5          1HB       ASP   5   3.185   8.491   4.915
   42    H    SER   6           H        SER   6   2.992   4.778   5.015
   43    HA   SER   6           HA       SER   6   0.643   4.728   6.764
   44    HB2  SER   6          2HB       SER   6   0.827   3.854   3.876
   45    HB3  SER   6          1HB       SER   6  -0.616   3.792   4.890
   46    HG   SER   6           HG       SER   6   0.261   5.783   3.424
   47    HA   PRO   7           HA       PRO   7   2.159   0.673   7.848
   48    HB2  PRO   7          2HB       PRO   7   0.111  -0.096   9.415
   49    HB3  PRO   7          1HB       PRO   7   1.253   1.145   9.933
   50    HG2  PRO   7          2HG       PRO   7  -1.497   1.447   8.818
   51    HG3  PRO   7          1HG       PRO   7  -0.726   2.332  10.142
   52    HD2  PRO   7          2HD       PRO   7  -0.951   3.298   7.558
   53    HD3  PRO   7          1HD       PRO   7   0.315   3.803   8.706
   54    H    PHE   8           H        PHE   8  -1.125   1.125   6.630
   55    HA   PHE   8           HA       PHE   8  -0.959  -1.315   5.073
   56    HB2  PHE   8          2HB       PHE   8  -3.267  -0.718   6.953
   57    HB3  PHE   8          1HB       PHE   8  -3.213  -2.018   5.779
   58    HD1  PHE   8          1HD       PHE   8  -2.319  -0.925   9.089
   59    HD2  PHE   8          2HD       PHE   8  -1.629  -3.900   6.130
   60    HE1  PHE   8          1HE       PHE   8  -1.365  -2.396  10.799
   61    HE2  PHE   8          2HE       PHE   8  -0.671  -5.379   7.840
   62    HZ   PHE   8           HZ       PHE   8  -0.539  -4.624  10.175
   63    H    CYS   9           H        CYS   9  -2.577  -1.304   3.466
   64    HA   CYS   9           HA       CYS   9  -4.144   1.116   3.115
   65    HB2  CYS   9          2HB       CYS   9  -3.491   1.242   0.748
   66    HB3  CYS   9          1HB       CYS   9  -2.057   1.351   1.766
   67    H    SER  10           H        SER  10  -5.381   0.280   0.706
   68    HA   SER  10           HA       SER  10  -6.168  -2.459   1.220
   69    HB2  SER  10          2HB       SER  10  -8.590  -1.721   1.028
   70    HB3  SER  10          1HB       SER  10  -7.784  -1.214   2.516
   71    HG   SER  10           HG       SER  10  -7.570   0.798   1.733
   72    H    LEU  11           H        LEU  11  -7.448  -3.276  -0.678
   73    HA   LEU  11           HA       LEU  11  -6.371  -2.331  -3.107
   74    HB2  LEU  11          2HB       LEU  11  -7.920  -3.967  -4.184
   75    HB3  LEU  11          1HB       LEU  11  -6.883  -4.617  -2.926
   76    HG   LEU  11           HG       LEU  11  -8.908  -4.491  -1.387
   77   HD11  LEU  11          1HD1      LEU  11 -10.307  -3.009  -2.688
   78   HD12  LEU  11          2HD1      LEU  11 -11.102  -4.565  -2.446
   79   HD13  LEU  11          3HD1      LEU  11 -10.358  -4.184  -4.001
   80   HD21  LEU  11          1HD2      LEU  11  -9.792  -6.596  -2.188
   81   HD22  LEU  11          2HD2      LEU  11  -8.031  -6.566  -2.308
   82   HD23  LEU  11          3HD2      LEU  11  -9.022  -6.338  -3.749
   83    H    PHE  12           H        PHE  12  -9.063  -1.486  -1.340
   84    HA   PHE  12           HA       PHE  12 -10.480  -0.067  -3.403
   85    HB2  PHE  12          2HB       PHE  12 -10.623   0.284  -0.392
   86    HB3  PHE  12          1HB       PHE  12 -11.745   0.971  -1.550
   87    HD1  PHE  12          1HD       PHE  12 -11.129  -1.715   0.642
   88    HD2  PHE  12          2HD       PHE  12 -12.967  -0.757  -3.072
   89    HE1  PHE  12          1HE       PHE  12 -12.533  -3.717   0.822
   90    HE2  PHE  12          2HE       PHE  12 -14.377  -2.755  -2.892
   91    HZ   PHE  12           HZ       PHE  12 -14.163  -4.242  -0.943
   92    H    ARG  13           H        ARG  13  -8.617   0.970  -0.560
   93    HA   ARG  13           HA       ARG  13  -7.955   3.434  -1.968
   94    HB2  ARG  13          2HB       ARG  13  -8.404   2.812   0.902
   95    HB3  ARG  13          1HB       ARG  13  -7.228   4.057   0.507
   96    HG2  ARG  13          2HG       ARG  13  -9.337   5.123   0.959
   97    HG3  ARG  13          1HG       ARG  13  -8.994   5.268  -0.756
   98    HD2  ARG  13          2HD       ARG  13 -11.316   4.754  -0.483
   99    HD3  ARG  13          1HD       ARG  13 -10.516   3.334  -1.152
  100    HE   ARG  13           HE       ARG  13 -10.454   2.794   1.460
  101   HH11  ARG  13          1HH1      ARG  13 -13.159   3.930  -0.543
  102   HH12  ARG  13          2HH1      ARG  13 -14.335   3.167   0.405
  103   HH21  ARG  13          1HH2      ARG  13 -12.064   1.779   2.721
  104   HH22  ARG  13          2HH2      ARG  13 -13.713   1.933   2.327
  105    H    ILE  14           H        ILE  14  -6.330   2.781  -3.123
  106    HA   ILE  14           HA       ILE  14  -4.054   1.520  -1.820
  107    HB   ILE  14           HB       ILE  14  -3.070   1.394  -4.092
  108   HG12  ILE  14          2HG1      ILE  14  -5.674   2.604  -5.028
  109   HG13  ILE  14          1HG1      ILE  14  -4.131   3.458  -5.012
  110   HG21  ILE  14          1HG2      ILE  14  -4.673  -0.215  -5.053
  111   HG22  ILE  14          2HG2      ILE  14  -5.898   0.363  -3.920
  112   HG23  ILE  14          3HG2      ILE  14  -4.457  -0.444  -3.316
  113   HD11  ILE  14          1HD1      ILE  14  -4.698   2.642  -7.237
  114   HD12  ILE  14          2HD1      ILE  14  -4.788   0.993  -6.597
  115   HD13  ILE  14          3HD1      ILE  14  -3.247   1.846  -6.620
  116    H    GLY  15           H        GLY  15  -5.266   4.484  -2.263
  117    HA2  GLY  15          2HA       GLY  15  -3.037   6.057  -2.999
  118    HA3  GLY  15          1HA       GLY  15  -4.499   6.638  -2.226
  119    H    LEU  16           H        LEU  16  -3.618   4.401  -0.115
  120    HA   LEU  16           HA       LEU  16  -2.339   6.202   1.668
  121    HB2  LEU  16          2HB       LEU  16  -2.771   3.229   1.775
  122    HB3  LEU  16          1HB       LEU  16  -1.857   4.041   3.029
  123    HG   LEU  16           HG       LEU  16  -4.052   3.658   3.835
  124   HD11  LEU  16          1HD1      LEU  16  -3.086   5.765   4.470
  125   HD12  LEU  16          2HD1      LEU  16  -4.839   5.875   4.358
  126   HD13  LEU  16          3HD1      LEU  16  -3.837   6.557   3.081
  127   HD21  LEU  16          1HD2      LEU  16  -5.240   3.335   1.744
  128   HD22  LEU  16          2HD2      LEU  16  -5.084   5.049   1.371
  129   HD23  LEU  16          3HD2      LEU  16  -6.073   4.533   2.735
  130    H    CYS  17           H        CYS  17  -1.237   4.022  -0.710
  131    HA   CYS  17           HA       CYS  17   1.534   4.411   0.081
  132    HB2  CYS  17          2HB       CYS  17   0.344   2.745  -2.156
  133    HB3  CYS  17          1HB       CYS  17   2.009   2.697  -1.586
  134    H    GLY  18           H        GLY  18   2.092   6.410  -0.551
  135    HA2  GLY  18          2HA       GLY  18   0.745   7.825  -2.586
  136    HA3  GLY  18          1HA       GLY  18   2.101   8.386  -1.642
  137    H    ASP  19           H        ASP  19   1.357   6.200  -4.280
  138    HA   ASP  19           HA       ASP  19   1.855   6.142  -6.455
  139    HB2  ASP  19          2HB       ASP  19   1.741   8.534  -6.330
  140    HB3  ASP  19          1HB       ASP  19   3.465   8.640  -5.985
  141    H    LYS  20           H        LYS  20   4.356   6.584  -4.339
  142    HA   LYS  20           HA       LYS  20   6.387   5.490  -6.106
  143    HB2  LYS  20          2HB       LYS  20   6.554   6.241  -3.201
  144    HB3  LYS  20          1HB       LYS  20   7.929   5.764  -4.197
  145    HG2  LYS  20          2HG       LYS  20   7.559   7.657  -5.656
  146    HG3  LYS  20          1HG       LYS  20   6.136   8.115  -4.721
  147    HD2  LYS  20          2HD       LYS  20   7.542   8.401  -2.759
  148    HD3  LYS  20          1HD       LYS  20   8.968   8.014  -3.726
  149    HE2  LYS  20          2HE       LYS  20   7.081  10.297  -4.271
  150    HE3  LYS  20          1HE       LYS  20   8.618  10.460  -3.433
  151    HZ1  LYS  20          1HZ       LYS  20   9.728   9.668  -5.456
  152    HZ2  LYS  20          2HZ       LYS  20   8.833  11.064  -5.746
  153    HZ3  LYS  20          3HZ       LYS  20   8.246   9.593  -6.270
  154    H    CYS  21           H        CYS  21   4.247   4.411  -3.746
  155    HA   CYS  21           HA       CYS  21   5.349   1.769  -4.023
  156    HB2  CYS  21          2HB       CYS  21   4.281   1.411  -1.688
  157    HB3  CYS  21          1HB       CYS  21   5.886   2.106  -1.829
  158    H    THR  22           H        THR  22   3.922   0.111  -3.991
  159    HA   THR  22           HA       THR  22   1.252   0.797  -5.007
  160    HB   THR  22           HB       THR  22   3.146  -1.496  -5.600
  161    HG1  THR  22          1HG       THR  22   3.136   0.925  -6.539
  162   HG21  THR  22          1HG2      THR  22   0.791  -2.234  -5.790
  163   HG22  THR  22          2HG2      THR  22   1.576  -2.163  -7.369
  164   HG23  THR  22          3HG2      THR  22   0.471  -0.879  -6.876
  165    H    CYS  23           H        CYS  23  -0.478  -0.724  -4.322
  166    HA   CYS  23           HA       CYS  23   0.018  -1.789  -1.689
  167    HB2  CYS  23          2HB       CYS  23  -2.468  -1.362  -3.298
  168    HB3  CYS  23          1HB       CYS  23  -2.468  -2.293  -1.805
  169    H    VAL  24           H        VAL  24   0.390  -3.776  -1.266
  170    HA   VAL  24           HA       VAL  24  -0.346  -5.891  -3.181
  171    HB   VAL  24           HB       VAL  24   1.275  -6.125  -0.627
  172   HG11  VAL  24          1HG1      VAL  24   0.298  -8.215  -1.356
  173   HG12  VAL  24          2HG1      VAL  24   2.051  -8.244  -1.561
  174   HG13  VAL  24          3HG1      VAL  24   1.002  -8.004  -2.960
  175   HG21  VAL  24          1HG2      VAL  24   2.445  -4.653  -2.132
  176   HG22  VAL  24          2HG2      VAL  24   2.286  -5.823  -3.438
  177   HG23  VAL  24          3HG2      VAL  24   3.278  -6.205  -2.030
  178    HA   PRO  25           HA       PRO  25  -3.551  -6.031   0.041
  179    HB2  PRO  25          2HB       PRO  25  -5.609  -6.826  -1.545
  180    HB3  PRO  25          1HB       PRO  25  -5.097  -5.150  -1.376
  181    HG2  PRO  25          2HG       PRO  25  -4.740  -6.991  -3.646
  182    HG3  PRO  25          1HG       PRO  25  -4.716  -5.225  -3.619
  183    HD2  PRO  25          2HD       PRO  25  -2.482  -7.007  -3.698
  184    HD3  PRO  25          1HD       PRO  25  -2.458  -5.237  -3.601
  185    H    LEU  26           H        LEU  26  -3.648  -7.688   1.378
  186    HA   LEU  26           HA       LEU  26  -3.992 -10.310   0.225
  187    HB2  LEU  26          2HB       LEU  26  -2.368 -11.341   1.772
  188    HB3  LEU  26          1HB       LEU  26  -1.629 -10.252   0.627
  189    HG   LEU  26           HG       LEU  26  -2.205  -9.395   3.469
  190   HD11  LEU  26          1HD1      LEU  26   0.112 -10.011   3.993
  191   HD12  LEU  26          2HD1      LEU  26   0.275 -10.733   2.392
  192   HD13  LEU  26          3HD1      LEU  26  -0.849 -11.424   3.561
  193   HD21  LEU  26          1HD2      LEU  26  -1.651  -7.631   1.863
  194   HD22  LEU  26          2HD2      LEU  26  -0.168  -8.484   1.433
  195   HD23  LEU  26          3HD2      LEU  26  -0.373  -7.834   3.061
  196    HA   PRO  27           HA       PRO  27  -5.780 -10.648  -0.202
  197    HB2  PRO  27          2HB       PRO  27  -8.584 -10.827   0.354
  198    HB3  PRO  27          1HB       PRO  27  -7.494 -12.137  -0.097
  199    HG2  PRO  27          2HG       PRO  27  -8.717 -11.927   2.359
  200    HG3  PRO  27          1HG       PRO  27  -7.210 -12.808   2.068
  201    HD2  PRO  27          2HD       PRO  27  -7.611 -10.055   3.181
  202    HD3  PRO  27          1HD       PRO  27  -6.474 -11.321   3.692
  203    H    ILE  28           H        ILE  28  -7.451  -8.589   2.067
  204    HA   ILE  28           HA       ILE  28  -8.208  -6.765  -0.116
  205    HB   ILE  28           HB       ILE  28  -9.415  -6.860   2.669
  206   HG12  ILE  28          2HG1      ILE  28 -10.552  -7.909   0.060
  207   HG13  ILE  28          1HG1      ILE  28  -9.915  -8.914   1.356
  208   HG21  ILE  28          1HG2      ILE  28 -11.147  -5.413   1.686
  209   HG22  ILE  28          2HG2      ILE  28 -10.289  -5.431   0.148
  210   HG23  ILE  28          3HG2      ILE  28  -9.552  -4.668   1.557
  211   HD11  ILE  28          1HD1      ILE  28 -12.318  -7.105   1.529
  212   HD12  ILE  28          2HD1      ILE  28 -11.684  -8.099   2.840
  213   HD13  ILE  28          3HD1      ILE  28 -12.342  -8.863   1.393
  214    H    PHE  29           H        PHE  29  -7.078  -6.772   3.288
  215    HA   PHE  29           HA       PHE  29  -6.147  -4.077   3.192
  216    HB2  PHE  29          2HB       PHE  29  -5.395  -6.346   5.065
  217    HB3  PHE  29          1HB       PHE  29  -4.896  -4.679   5.274
  218    HD1  PHE  29          1HD       PHE  29  -6.848  -2.940   5.472
  219    HD2  PHE  29          2HD       PHE  29  -7.268  -7.126   6.151
  220    HE1  PHE  29          1HE       PHE  29  -8.834  -2.514   6.855
  221    HE2  PHE  29          2HE       PHE  29  -9.259  -6.705   7.527
  222    HZ   PHE  29           HZ       PHE  29 -10.046  -4.396   7.884
  223    H    GLY  30           H        GLY  30  -4.186  -3.352   2.546
  224    HA2  GLY  30          2HA       GLY  30  -2.348  -5.434   1.640
  225    HA3  GLY  30          1HA       GLY  30  -2.735  -4.037   0.639
  226    H    LEU  31           H        LEU  31  -0.237  -4.594   1.076
  227    HA   LEU  31           HA       LEU  31   0.686  -2.631   3.071
  228    HB2  LEU  31          2HB       LEU  31   2.145  -4.985   1.882
  229    HB3  LEU  31          1HB       LEU  31   2.819  -3.838   3.017
  230    HG   LEU  31           HG       LEU  31   0.569  -5.758   3.605
  231   HD11  LEU  31          1HD1      LEU  31   2.241  -6.888   4.998
  232   HD12  LEU  31          2HD1      LEU  31   3.469  -5.772   4.395
  233   HD13  LEU  31          3HD1      LEU  31   2.678  -6.892   3.290
  234   HD21  LEU  31          1HD2      LEU  31   0.912  -5.062   5.930
  235   HD22  LEU  31          2HD2      LEU  31   0.405  -3.712   4.919
  236   HD23  LEU  31          3HD2      LEU  31   2.095  -3.870   5.395
  237    H    CYS  32           H        CYS  32   2.265  -1.199   2.385
  238    HA   CYS  32           HA       CYS  32   2.281  -0.550  -0.397
  239    HB2  CYS  32          2HB       CYS  32   3.826   0.629   1.926
  240    HB3  CYS  32          1HB       CYS  32   3.799   1.296   0.306
  241    H    VAL  33           H        VAL  33   3.485  -1.671  -1.758
  242    HA   VAL  33           HA       VAL  33   6.140  -2.604  -0.944
  243    HB   VAL  33           HB       VAL  33   4.584  -4.256  -2.035
  244   HG11  VAL  33          1HG1      VAL  33   4.148  -4.148  -4.441
  245   HG12  VAL  33          2HG1      VAL  33   4.864  -2.535  -4.479
  246   HG13  VAL  33          3HG1      VAL  33   3.390  -2.823  -3.553
  247   HG21  VAL  33          1HG2      VAL  33   7.078  -3.655  -3.615
  248   HG22  VAL  33          2HG2      VAL  33   6.172  -5.165  -3.683
  249   HG23  VAL  33          3HG2      VAL  33   6.956  -4.675  -2.181
  250    HA   PRO  34           HA       PRO  34   7.755   0.903  -3.144
  251    HB2  PRO  34          2HB       PRO  34  10.338   0.096  -3.406
  252    HB3  PRO  34          1HB       PRO  34   9.676   0.719  -1.889
  253    HG2  PRO  34          2HG       PRO  34  10.163  -2.097  -2.736
  254    HG3  PRO  34          1HG       PRO  34  10.413  -1.355  -1.147
  255    HD2  PRO  34          2HD       PRO  34   8.277  -2.911  -1.783
  256    HD3  PRO  34          1HD       PRO  34   8.209  -1.640  -0.555
  257    H    ASP  35           H        ASP  35   7.165   1.109  -5.198
  258    HA   ASP  35           HA       ASP  35   7.720  -1.101  -7.044
  259    HB2  ASP  35          2HB       ASP  35   5.401  -0.010  -6.898
  260    HB3  ASP  35          1HB       ASP  35   6.150   1.389  -7.672
  261    H    VAL  36           H        VAL  36   8.300   2.287  -6.532
  262    HA   VAL  36           HA       VAL  36  10.376   2.122  -8.530
  263    HB   VAL  36           HB       VAL  36   8.889   3.897  -9.210
  264   HG11  VAL  36          1HG1      VAL  36   7.690   4.234  -7.145
  265   HG12  VAL  36          2HG1      VAL  36   8.268   5.777  -7.782
  266   HG13  VAL  36          3HG1      VAL  36   9.098   5.013  -6.426
  267   HG21  VAL  36          1HG2      VAL  36  11.235   5.149  -7.804
  268   HG22  VAL  36          2HG2      VAL  36  10.298   5.888  -9.104
  269   HG23  VAL  36          3HG2      VAL  36  11.256   4.435  -9.413
  Start of MODEL   20
    1    H1   LEU   1          1HT       LEU   1  16.057   8.613   2.571
    2    H2   LEU   1          2HT       LEU   1  15.782   9.812   1.451
    3    H3   LEU   1          3HT       LEU   1  17.083   8.770   1.232
    4    HA   LEU   1           HA       LEU   1  15.258   8.216  -0.227
    5    HB2  LEU   1          2HB       LEU   1  15.638   6.253   2.048
    6    HB3  LEU   1          1HB       LEU   1  14.669   5.889   0.646
    7    HG   LEU   1           HG       LEU   1  16.737   4.813   0.381
    8   HD11  LEU   1          1HD1      LEU   1  17.626   5.756  -1.670
    9   HD12  LEU   1          2HD1      LEU   1  16.723   7.238  -1.370
   10   HD13  LEU   1          3HD1      LEU   1  15.864   5.719  -1.640
   11   HD21  LEU   1          1HD2      LEU   1  18.135   7.449   0.835
   12   HD22  LEU   1          2HD2      LEU   1  18.905   5.926   0.403
   13   HD23  LEU   1          3HD2      LEU   1  18.089   6.090   1.957
   14    HA   PRO   2           HA       PRO   2  11.253   9.059   1.480
   15    HB2  PRO   2          2HB       PRO   2   9.771   8.426  -0.674
   16    HB3  PRO   2          1HB       PRO   2  10.754   9.894  -0.644
   17    HG2  PRO   2          2HG       PRO   2  11.294   7.280  -1.977
   18    HG3  PRO   2          1HG       PRO   2  11.634   8.926  -2.539
   19    HD2  PRO   2          2HD       PRO   2  13.509   7.239  -1.394
   20    HD3  PRO   2          1HD       PRO   2  13.633   9.008  -1.447
   21    H    ARG   3           H        ARG   3   9.709   7.917   2.428
   22    HA   ARG   3           HA       ARG   3   9.600   5.057   1.916
   23    HB2  ARG   3          2HB       ARG   3   9.670   6.389   4.636
   24    HB3  ARG   3          1HB       ARG   3   9.415   4.676   4.345
   25    HG2  ARG   3          2HG       ARG   3  11.671   4.540   3.356
   26    HG3  ARG   3          1HG       ARG   3  11.913   6.244   3.742
   27    HD2  ARG   3          2HD       ARG   3  11.381   4.027   5.709
   28    HD3  ARG   3          1HD       ARG   3  12.934   4.805   5.415
   29    HE   ARG   3           HE       ARG   3  11.339   6.864   6.087
   30   HH11  ARG   3          1HH1      ARG   3  11.929   3.747   7.640
   31   HH12  ARG   3          2HH1      ARG   3  11.715   4.331   9.217
   32   HH21  ARG   3          1HH2      ARG   3  11.053   7.669   8.228
   33   HH22  ARG   3          2HH2      ARG   3  11.204   6.645   9.581
   34    H    CYS   4           H        CYS   4   7.507   4.375   3.473
   35    HA   CYS   4           HA       CYS   4   5.491   6.232   2.437
   36    HB2  CYS   4          2HB       CYS   4   5.234   3.267   2.895
   37    HB3  CYS   4          1HB       CYS   4   4.000   4.322   2.205
   38    H    ASP   5           H        ASP   5   6.096   3.983   5.090
   39    HA   ASP   5           HA       ASP   5   5.454   3.890   7.243
   40    HB2  ASP   5          2HB       ASP   5   6.205   6.360   7.233
   41    HB3  ASP   5          1HB       ASP   5   4.506   6.772   7.053
   42    H    SER   6           H        SER   6   3.725   3.257   5.100
   43    HA   SER   6           HA       SER   6   1.039   3.890   5.973
   44    HB2  SER   6          2HB       SER   6   1.998   2.114   3.725
   45    HB3  SER   6          1HB       SER   6   0.401   2.851   3.914
   46    HG   SER   6           HG       SER   6   1.505   4.148   2.519
   47    HA   PRO   7           HA       PRO   7   1.344   0.160   8.548
   48    HB2  PRO   7          2HB       PRO   7  -1.240   0.221   9.465
   49    HB3  PRO   7          1HB       PRO   7   0.075   1.171  10.162
   50    HG2  PRO   7          2HG       PRO   7  -2.054   1.994   8.246
   51    HG3  PRO   7          1HG       PRO   7  -1.362   2.889   9.607
   52    HD2  PRO   7          2HD       PRO   7  -0.680   3.377   7.037
   53    HD3  PRO   7          1HD       PRO   7   0.463   3.589   8.378
   54    H    PHE   8           H        PHE   8  -1.583   0.656   6.572
   55    HA   PHE   8           HA       PHE   8  -1.341  -2.013   5.494
   56    HB2  PHE   8          2HB       PHE   8  -3.783  -1.032   6.993
   57    HB3  PHE   8          1HB       PHE   8  -3.862  -2.323   5.808
   58    HD1  PHE   8          1HD       PHE   8  -3.000  -1.410   9.194
   59    HD2  PHE   8          2HD       PHE   8  -2.685  -4.457   6.244
   60    HE1  PHE   8          1HE       PHE   8  -2.453  -3.052  10.943
   61    HE2  PHE   8          2HE       PHE   8  -2.140  -6.093   7.987
   62    HZ   PHE   8           HZ       PHE   8  -2.026  -5.392  10.337
   63    H    CYS   9           H        CYS   9  -3.349  -2.187   3.859
   64    HA   CYS   9           HA       CYS   9  -4.077   0.328   2.684
   65    HB2  CYS   9          2HB       CYS   9  -1.758  -0.274   1.845
   66    HB3  CYS   9          1HB       CYS   9  -2.478  -1.712   1.124
   67    H    SER  10           H        SER  10  -5.615  -0.224   0.856
   68    HA   SER  10           HA       SER  10  -6.680  -2.926   0.983
   69    HB2  SER  10          2HB       SER  10  -8.998  -2.080   1.430
   70    HB3  SER  10          1HB       SER  10  -7.901  -1.837   2.789
   71    HG   SER  10           HG       SER  10  -8.073   0.198   2.592
   72    H    LEU  11           H        LEU  11  -8.514  -3.154  -0.663
   73    HA   LEU  11           HA       LEU  11  -7.664  -2.010  -3.093
   74    HB2  LEU  11          2HB       LEU  11  -9.567  -3.179  -4.153
   75    HB3  LEU  11          1HB       LEU  11  -8.639  -4.196  -3.076
   76    HG   LEU  11           HG       LEU  11 -10.508  -3.871  -1.364
   77   HD11  LEU  11          1HD1      LEU  11 -11.601  -1.935  -2.362
   78   HD12  LEU  11          2HD1      LEU  11 -12.712  -3.297  -2.224
   79   HD13  LEU  11          3HD1      LEU  11 -12.003  -2.892  -3.789
   80   HD21  LEU  11          1HD2      LEU  11 -11.864  -5.609  -2.325
   81   HD22  LEU  11          2HD2      LEU  11 -10.164  -5.920  -2.707
   82   HD23  LEU  11          3HD2      LEU  11 -11.238  -5.249  -3.926
   83    H    PHE  12           H        PHE  12  -9.721  -0.993  -0.721
   84    HA   PHE  12           HA       PHE  12 -11.194   0.946  -2.286
   85    HB2  PHE  12          2HB       PHE  12 -10.941   0.678   0.719
   86    HB3  PHE  12          1HB       PHE  12 -12.041   1.754  -0.120
   87    HD1  PHE  12          1HD       PHE  12 -13.798   0.645  -1.643
   88    HD2  PHE  12          2HD       PHE  12 -11.620  -1.443   1.364
   89    HE1  PHE  12          1HE       PHE  12 -15.544  -1.073  -1.574
   90    HE2  PHE  12          2HE       PHE  12 -13.364  -3.170   1.424
   91    HZ   PHE  12           HZ       PHE  12 -15.327  -2.992  -0.039
   92    H    ARG  13           H        ARG  13  -8.841   1.084   0.390
   93    HA   ARG  13           HA       ARG  13  -8.125   3.760  -0.488
   94    HB2  ARG  13          2HB       ARG  13  -7.857   2.369   2.161
   95    HB3  ARG  13          1HB       ARG  13  -6.858   3.761   1.787
   96    HG2  ARG  13          2HG       ARG  13  -8.706   4.522   3.078
   97    HG3  ARG  13          1HG       ARG  13  -8.962   5.073   1.427
   98    HD2  ARG  13          2HD       ARG  13 -11.032   4.266   2.368
   99    HD3  ARG  13          1HD       ARG  13 -10.506   3.187   1.076
  100    HE   ARG  13           HE       ARG  13  -9.489   2.161   3.427
  101   HH11  ARG  13          1HH1      ARG  13 -12.724   2.800   2.138
  102   HH12  ARG  13          2HH1      ARG  13 -13.471   1.525   2.961
  103   HH21  ARG  13          1HH2      ARG  13 -10.485   0.422   4.571
  104   HH22  ARG  13          2HH2      ARG  13 -12.148   0.116   4.403
  105    H    ILE  14           H        ILE  14  -6.801   3.249  -2.153
  106    HA   ILE  14           HA       ILE  14  -4.394   1.693  -1.527
  107    HB   ILE  14           HB       ILE  14  -3.891   1.787  -3.952
  108   HG12  ILE  14          2HG1      ILE  14  -6.603   3.082  -4.215
  109   HG13  ILE  14          1HG1      ILE  14  -5.062   3.904  -4.444
  110   HG21  ILE  14          1HG2      ILE  14  -5.674   0.275  -4.710
  111   HG22  ILE  14          2HG2      ILE  14  -6.615   0.702  -3.281
  112   HG23  ILE  14          3HG2      ILE  14  -5.072  -0.131  -3.102
  113   HD11  ILE  14          1HD1      ILE  14  -6.087   1.598  -6.069
  114   HD12  ILE  14          2HD1      ILE  14  -4.563   2.461  -6.316
  115   HD13  ILE  14          3HD1      ILE  14  -6.103   3.295  -6.556
  116    H    GLY  15           H        GLY  15  -5.447   4.701  -1.305
  117    HA2  GLY  15          2HA       GLY  15  -3.295   6.243  -2.380
  118    HA3  GLY  15          1HA       GLY  15  -4.512   6.810  -1.245
  119    H    LEU  16           H        LEU  16  -3.448   4.214   0.224
  120    HA   LEU  16           HA       LEU  16  -1.696   5.520   2.031
  121    HB2  LEU  16          2HB       LEU  16  -2.457   2.652   1.577
  122    HB3  LEU  16          1HB       LEU  16  -1.138   3.038   2.651
  123    HG   LEU  16           HG       LEU  16  -3.133   2.612   3.912
  124   HD11  LEU  16          1HD1      LEU  16  -1.602   4.260   4.783
  125   HD12  LEU  16          2HD1      LEU  16  -3.261   4.612   5.246
  126   HD13  LEU  16          3HD1      LEU  16  -2.493   5.545   3.962
  127   HD21  LEU  16          1HD2      LEU  16  -5.132   4.028   3.743
  128   HD22  LEU  16          2HD2      LEU  16  -4.817   3.153   2.243
  129   HD23  LEU  16          3HD2      LEU  16  -4.411   4.867   2.368
  130    H    CYS  17           H        CYS  17  -1.296   3.626  -0.847
  131    HA   CYS  17           HA       CYS  17   1.578   4.137  -0.689
  132    HB2  CYS  17          2HB       CYS  17   0.397   1.698  -1.996
  133    HB3  CYS  17          1HB       CYS  17   2.052   1.989  -1.506
  134    H    GLY  18           H        GLY  18   1.096   6.009  -1.965
  135    HA2  GLY  18          2HA       GLY  18   0.085   5.379  -4.646
  136    HA3  GLY  18          1HA       GLY  18  -0.023   6.954  -3.877
  137    H    ASP  19           H        ASP  19   1.867   4.805  -5.722
  138    HA   ASP  19           HA       ASP  19   3.550   5.058  -7.140
  139    HB2  ASP  19          2HB       ASP  19   2.547   7.165  -7.651
  140    HB3  ASP  19          1HB       ASP  19   3.458   7.974  -6.384
  141    H    LYS  20           H        LYS  20   3.864   6.129  -4.025
  142    HA   LYS  20           HA       LYS  20   6.755   6.155  -3.884
  143    HB2  LYS  20          2HB       LYS  20   4.700   6.028  -1.685
  144    HB3  LYS  20          1HB       LYS  20   6.422   6.277  -1.445
  145    HG2  LYS  20          2HG       LYS  20   6.320   8.380  -2.618
  146    HG3  LYS  20          1HG       LYS  20   4.613   8.115  -2.994
  147    HD2  LYS  20          2HD       LYS  20   4.115   8.031  -0.629
  148    HD3  LYS  20          1HD       LYS  20   5.803   8.364  -0.244
  149    HE2  LYS  20          2HE       LYS  20   5.671  10.522  -1.324
  150    HE3  LYS  20          1HE       LYS  20   4.027  10.201  -1.858
  151    HZ1  LYS  20          1HZ       LYS  20   3.995  11.601   0.081
  152    HZ2  LYS  20          2HZ       LYS  20   4.950  10.526   0.945
  153    HZ3  LYS  20          3HZ       LYS  20   3.386  10.094   0.511
  154    H    CYS  21           H        CYS  21   4.172   3.902  -3.422
  155    HA   CYS  21           HA       CYS  21   5.857   1.659  -3.447
  156    HB2  CYS  21          2HB       CYS  21   4.731   0.867  -1.224
  157    HB3  CYS  21          1HB       CYS  21   6.190   1.832  -1.129
  158    H    THR  22           H        THR  22   4.205  -0.303  -2.896
  159    HA   THR  22           HA       THR  22   1.677   0.373  -4.172
  160    HB   THR  22           HB       THR  22   3.543  -1.890  -4.973
  161    HG1  THR  22          1HG       THR  22   4.209  -0.628  -6.548
  162   HG21  THR  22          1HG2      THR  22   1.147  -2.445  -5.265
  163   HG22  THR  22          2HG2      THR  22   1.956  -2.253  -6.824
  164   HG23  THR  22          3HG2      THR  22   0.932  -0.962  -6.195
  165    H    CYS  23           H        CYS  23  -0.028  -1.085  -3.535
  166    HA   CYS  23           HA       CYS  23   0.765  -3.004  -1.498
  167    HB2  CYS  23          2HB       CYS  23  -1.264  -2.528  -0.259
  168    HB3  CYS  23          1HB       CYS  23  -0.317  -1.055  -0.422
  169    H    VAL  24           H        VAL  24  -0.186  -4.963  -1.651
  170    HA   VAL  24           HA       VAL  24  -2.026  -5.325  -3.891
  171    HB   VAL  24           HB       VAL  24  -0.143  -7.361  -2.659
  172   HG11  VAL  24          1HG1      VAL  24  -0.781  -8.787  -4.553
  173   HG12  VAL  24          2HG1      VAL  24  -1.934  -7.560  -5.077
  174   HG13  VAL  24          3HG1      VAL  24  -2.162  -8.384  -3.533
  175   HG21  VAL  24          1HG2      VAL  24   1.095  -7.220  -4.787
  176   HG22  VAL  24          2HG2      VAL  24   1.098  -5.688  -3.920
  177   HG23  VAL  24          3HG2      VAL  24   0.035  -5.912  -5.305
  178    HA   PRO  25           HA       PRO  25  -4.766  -6.230  -0.354
  179    HB2  PRO  25          2HB       PRO  25  -6.758  -6.179  -2.535
  180    HB3  PRO  25          1HB       PRO  25  -6.731  -5.255  -1.031
  181    HG2  PRO  25          2HG       PRO  25  -6.249  -4.073  -3.377
  182    HG3  PRO  25          1HG       PRO  25  -5.365  -3.604  -1.912
  183    HD2  PRO  25          2HD       PRO  25  -4.490  -5.356  -4.173
  184    HD3  PRO  25          1HD       PRO  25  -3.590  -4.090  -3.309
  185    H    LEU  26           H        LEU  26  -5.568  -8.210   0.264
  186    HA   LEU  26           HA       LEU  26  -6.165 -10.143  -1.757
  187    HB2  LEU  26          2HB       LEU  26  -4.687 -11.889  -0.931
  188    HB3  LEU  26          1HB       LEU  26  -3.781 -10.511  -1.492
  189    HG   LEU  26           HG       LEU  26  -4.274 -11.163   1.422
  190   HD11  LEU  26          1HD1      LEU  26  -1.861 -11.652  -0.297
  191   HD12  LEU  26          2HD1      LEU  26  -2.946 -12.884   0.352
  192   HD13  LEU  26          3HD1      LEU  26  -1.949 -11.916   1.442
  193   HD21  LEU  26          1HD2      LEU  26  -2.358  -9.224   0.122
  194   HD22  LEU  26          2HD2      LEU  26  -2.422  -9.598   1.845
  195   HD23  LEU  26          3HD2      LEU  26  -3.789  -8.804   1.059
  196    HA   PRO  27           HA       PRO  27  -7.968 -10.152  -2.190
  197    HB2  PRO  27          2HB       PRO  27 -10.770 -10.159  -1.486
  198    HB3  PRO  27          1HB       PRO  27  -9.901 -11.310  -2.500
  199    HG2  PRO  27          2HG       PRO  27 -10.956 -11.988  -0.089
  200    HG3  PRO  27          1HG       PRO  27  -9.503 -12.752  -0.756
  201    HD2  PRO  27          2HD       PRO  27  -9.723 -10.529   1.238
  202    HD3  PRO  27          1HD       PRO  27  -8.713 -11.992   1.312
  203    H    ILE  28           H        ILE  28  -9.220  -8.702   0.756
  204    HA   ILE  28           HA       ILE  28 -10.080  -6.325  -0.731
  205    HB   ILE  28           HB       ILE  28 -10.745  -7.099   2.128
  206   HG12  ILE  28          2HG1      ILE  28 -12.434  -7.281  -0.376
  207   HG13  ILE  28          1HG1      ILE  28 -11.679  -8.653   0.426
  208   HG21  ILE  28          1HG2      ILE  28 -12.449  -5.345   1.969
  209   HG22  ILE  28          2HG2      ILE  28 -11.882  -4.938   0.349
  210   HG23  ILE  28          3HG2      ILE  28 -10.829  -4.683   1.741
  211   HD11  ILE  28          1HD1      ILE  28 -13.799  -6.858   1.564
  212   HD12  ILE  28          2HD1      ILE  28 -13.043  -8.207   2.411
  213   HD13  ILE  28          3HD1      ILE  28 -14.029  -8.508   0.979
  214    H    PHE  29           H        PHE  29  -8.245  -7.243   2.152
  215    HA   PHE  29           HA       PHE  29  -6.973  -4.602   2.119
  216    HB2  PHE  29          2HB       PHE  29  -7.276  -6.612   4.363
  217    HB3  PHE  29          1HB       PHE  29  -6.306  -5.148   4.476
  218    HD1  PHE  29          1HD       PHE  29  -9.700  -6.513   4.367
  219    HD2  PHE  29          2HD       PHE  29  -7.346  -2.986   4.644
  220    HE1  PHE  29          1HE       PHE  29 -11.686  -5.249   5.082
  221    HE2  PHE  29          2HE       PHE  29  -9.328  -1.717   5.358
  222    HZ   PHE  29           HZ       PHE  29 -11.500  -2.851   5.573
  223    H    GLY  30           H        GLY  30  -4.661  -4.546   2.469
  224    HA2  GLY  30          2HA       GLY  30  -3.226  -7.035   2.260
  225    HA3  GLY  30          1HA       GLY  30  -3.138  -6.015   0.835
  226    H    LEU  31           H        LEU  31  -0.836  -6.446   1.818
  227    HA   LEU  31           HA       LEU  31  -0.183  -4.368   3.752
  228    HB2  LEU  31          2HB       LEU  31   1.511  -6.561   2.559
  229    HB3  LEU  31          1HB       LEU  31   2.051  -5.414   3.767
  230    HG   LEU  31           HG       LEU  31  -0.093  -7.505   4.163
  231   HD11  LEU  31          1HD1      LEU  31   2.730  -7.345   5.198
  232   HD12  LEU  31          2HD1      LEU  31   2.134  -8.462   3.971
  233   HD13  LEU  31          3HD1      LEU  31   1.536  -8.570   5.629
  234   HD21  LEU  31          1HD2      LEU  31   1.150  -5.557   6.112
  235   HD22  LEU  31          2HD2      LEU  31   0.039  -6.858   6.531
  236   HD23  LEU  31          3HD2      LEU  31  -0.514  -5.522   5.527
  237    H    CYS  32           H        CYS  32   1.766  -3.113   3.270
  238    HA   CYS  32           HA       CYS  32   1.754  -2.275   0.467
  239    HB2  CYS  32          2HB       CYS  32   1.020  -0.652   2.261
  240    HB3  CYS  32          1HB       CYS  32   2.671  -0.710   2.875
  241    H    VAL  33           H        VAL  33   3.728  -2.087  -0.600
  242    HA   VAL  33           HA       VAL  33   6.093  -2.916   0.855
  243    HB   VAL  33           HB       VAL  33   5.021  -4.935  -0.139
  244   HG11  VAL  33          1HG1      VAL  33   5.462  -3.612  -2.797
  245   HG12  VAL  33          2HG1      VAL  33   3.912  -3.969  -2.045
  246   HG13  VAL  33          3HG1      VAL  33   4.970  -5.288  -2.553
  247   HG21  VAL  33          1HG2      VAL  33   6.984  -5.809  -1.352
  248   HG22  VAL  33          2HG2      VAL  33   7.406  -4.971   0.139
  249   HG23  VAL  33          3HG2      VAL  33   7.633  -4.168  -1.417
  250    HA   PRO  34           HA       PRO  34   7.824   0.423  -1.648
  251    HB2  PRO  34          2HB       PRO  34  10.433  -0.579  -1.709
  252    HB3  PRO  34          1HB       PRO  34   9.795   0.483  -0.452
  253    HG2  PRO  34          2HG       PRO  34  10.125  -2.479  -0.447
  254    HG3  PRO  34          1HG       PRO  34  10.343  -1.326   0.880
  255    HD2  PRO  34          2HD       PRO  34   8.168  -2.880   0.707
  256    HD3  PRO  34          1HD       PRO  34   8.068  -1.215   1.320
  257    H    ASP  35           H        ASP  35   7.995   0.584  -3.823
  258    HA   ASP  35           HA       ASP  35   7.625  -1.904  -5.312
  259    HB2  ASP  35          2HB       ASP  35   6.219   0.285  -5.587
  260    HB3  ASP  35          1HB       ASP  35   7.662   0.866  -6.432
  261    H    VAL  36           H        VAL  36   9.574   0.967  -5.102
  262    HA   VAL  36           HA       VAL  36  11.839  -0.437  -5.856
  263    HB   VAL  36           HB       VAL  36  11.071   0.072  -8.100
  264   HG11  VAL  36          1HG1      VAL  36   9.605   1.939  -7.691
  265   HG12  VAL  36          2HG1      VAL  36  10.784   2.367  -8.933
  266   HG13  VAL  36          3HG1      VAL  36  10.980   2.963  -7.287
  267   HG21  VAL  36          1HG2      VAL  36  13.420   0.126  -7.754
  268   HG22  VAL  36          2HG2      VAL  36  13.337   1.808  -7.237
  269   HG23  VAL  36          3HG2      VAL  36  12.997   1.387  -8.927