*HEADER    STRUCTURAL PROTEIN                      01-MAY-07   2PPZ              
*TITLE     NMR SOLUTION STRUCTURE OF THE VILLIN HEADPIECE MUTANT G34L            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: VILLIN-1;                                                  
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: C-TERMINAL RESIDUES OF HEADPIECE DOMAIN,                   
*COMPND   5 SEQUENCE DATABASE RESIDUES 792-826;                                  
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SYNTHEZIZED ON A PEPTIDE SYNTHEZIZER USING            
*SOURCE   4 THE FMOC/BUT STRATEGY. THE PEPTIDE IS NATURALLY FOUND IN             
*SOURCE   5 GALLUS GALLUS (CHICKEN).                                             
*KEYWDS    SMALL STABLE CORE, ALPHA HELICAL, THERMOSTABLE, IN SILICO             
*KEYWDS   2 SEQUENCE OPTIMIZATION                                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    W.GRONWALD, T.HOHM, D.HOFFMANN                                        
*REVDAT   1   29-MAY-07 2PPZ    0                                                

!
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!
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assign (resid 18 and name QD)  (resid 19 and name HA) 5.370000 2.230000 1.950000 
assign (resid 18 and name QD)  (resid 19 and name QB) 5.040000 1.890000 2.260000 
assign (resid 19 and name H)  (resid 19 and name HA) 2.810000 0.270000 0.220000 
assign (resid 19 and name H)  (resid 19 and name QB) 2.870000 0.270000 0.210000 
assign (resid 19 and name H)  (resid 20 and name HB3) 6.350000 3.320000 1.040000 
assign (resid 19 and name H)  (resid 20 and name HD22) 4.380000 1.310000 2.890000 
assign (resid 19 and name HA)  (resid 19 and name QB) 3.570000 0.620000 0.560000 
assign (resid 19 and name HA)  (resid 20 and name H) 3.460000 0.580000 0.470000 
assign (resid 19 and name HA)  (resid 21 and name H) 3.890000 0.900000 1.170000 
assign (resid 19 and name HA)  (resid 26 and name HE21) 4.770000 1.630000 2.520000 
assign (resid 19 and name HA)  (resid 26 and name HE22) 4.010000 0.950000 1.780000 
assign (resid 19 and name QB)  (resid 20 and name H) 3.790000 0.780000 0.890000 
assign (resid 19 and name QB)  (resid 21 and name H) 5.260000 2.140000 2.060000 
assign (resid 19 and name QB)  (resid 26 and name HE21) 6.870000 3.870000 0.550000 
assign (resid 19 and name QB)  (resid 26 and name HE22) 5.870000 2.810000 1.490000 
assign (resid 20 and name H)  (resid 20 and name HA) 3.230000 0.450000 0.340000 
assign (resid 20 and name H)  (resid 20 and name HB2) 2.410000 0.170000 0.160000 
assign (resid 20 and name H)  (resid 20 and name HB3) 3.570000 0.610000 0.540000 
assign (resid 20 and name H)  (resid 20 and name HD22) 4.310000 1.210000 2.950000 
assign (resid 20 and name HA)  (resid 21 and name H) 3.490000 0.590000 0.490000 
assign (resid 20 and name HB2)  (resid 20 and name HB3) 1.810000 0.100000 0.090000 
assign (resid 20 and name HB2)  (resid 20 and name HD21) 4.400000 2.030000 5.420000 
assign (resid 20 and name HB2)  (resid 20 and name HD22) 4.380000 2.000000 5.460000 
assign (resid 20 and name HB2)  (resid 21 and name H) 5.540000 2.450000 1.790000 
assign (resid 20 and name HB3)  (resid 20 and name HD21) 3.840000 1.210000 4.120000 
assign (resid 20 and name HB3)  (resid 20 and name HD22) 3.930000 0.890000 1.310000 
assign (resid 20 and name HB3)  (resid 21 and name H) 3.720000 0.750000 0.750000 
assign (resid 20 and name HD21)  (resid 20 and name HD22) 1.760000 0.090000 0.090000 
assign (resid 21 and name H)  (resid 21 and name HA) 2.950000 0.310000 0.250000 
!assign (resid 21 and name H)  (resid 21 and name HB2) 2.120000 0.130000 0.120000 
assign (resid 21 and name H)  (resid 21 and name HB3) 3.090000 0.360000 0.270000 
assign (resid 21 and name H)  (resid 21 and name QD1) 5.240000 2.100000 2.070000 
assign (resid 21 and name H)  (resid 21 and name QD2) 4.410000 1.290000 2.850000 
assign (resid 21 and name HB2)  (resid 21 and name QD1) 3.470000 0.540000 0.450000 
!assign (resid 21 and name HB3)  (resid 21 and name QD1) 3.030000 0.350000 0.270000 
!assign (resid 21 and name HB3)  (resid 21 and name QD2) 2.340000 0.160000 0.140000 
!assign (resid 21 and name HB3)  (resid 26 and name H) 3.610000 0.670000 0.610000 
assign (resid 21 and name HB3)  (resid 26 and name HE22) 5.500000 2.400000 1.830000 
assign (resid 22 and name HA)  (resid 23 and name H) 2.200000 0.140000 0.120000 
assign (resid 22 and name HA)  (resid 23 and name HA) 4.970000 3.030000 4.310000 
!assign (resid 22 and name HA)  (resid 24 and name HE1) 5.040000 1.950000 2.270000 
assign (resid 23 and name H)  (resid 23 and name HA) 2.750000 0.240000 0.200000 
!assign (resid 23 and name H)  (resid 23 and name HB2) 2.520000 0.190000 0.150000 
assign (resid 23 and name H)  (resid 24 and name H) 2.910000 0.300000 0.240000 
assign (resid 23 and name H)  (resid 24 and name HB3) 6.360000 3.350000 1.030000 
assign (resid 23 and name H)  (resid 24 and name HD1) 4.410000 1.310000 2.860000 
assign (resid 23 and name HA)  (resid 23 and name HB2) 3.130000 0.390000 0.300000 
assign (resid 23 and name HA)  (resid 24 and name H) 3.540000 0.620000 0.540000 
assign (resid 23 and name HA)  (resid 24 and name HD1) 5.210000 2.160000 2.100000 
assign (resid 23 and name HA)  (resid 26 and name HB3) 4.320000 1.900000 5.580000 
assign (resid 23 and name HA)  (resid 26 and name HG3) 4.280000 2.630000 7.420000 
assign (resid 23 and name HA)  (resid 26 and name HE22) 4.710000 1.600000 2.580000 
assign (resid 23 and name HB2)  (resid 24 and name H) 3.260000 0.430000 0.340000 
assign (resid 23 and name HB2)  (resid 24 and name HD1) 5.090000 1.980000 2.220000 
assign (resid 24 and name H)  (resid 24 and name HA) 2.860000 0.280000 0.220000 
!assign (resid 24 and name H)  (resid 24 and name HB2) 2.380000 0.170000 0.150000 
assign (resid 24 and name H)  (resid 24 and name HB3) 3.520000 0.570000 0.490000 
!assign (resid 24 and name H)  (resid 24 and name HD1) 2.920000 0.290000 0.220000 
assign (resid 24 and name H)  (resid 24 and name HE1) 5.580000 2.480000 1.760000 
assign (resid 24 and name H)  (resid 25 and name H) 2.760000 0.250000 0.200000 
!assign (resid 24 and name HA)  (resid 24 and name HB2) 4.520000 1.430000 2.750000 
!assign (resid 24 and name HA)  (resid 24 and name HB3) 4.090000 1.050000 3.920000 
assign (resid 24 and name HA)  (resid 24 and name HD1) 3.900000 0.880000 1.170000 
assign (resid 24 and name HA)  (resid 24 and name HE3) 3.560000 0.640000 0.560000 
assign (resid 24 and name HA)  (resid 25 and name H) 4.750000 1.680000 2.540000 
assign (resid 24 and name HA)  (resid 27 and name H) 3.710000 0.730000 0.740000 
assign (resid 24 and name HB2)  (resid 24 and name HB3) 1.800000 0.100000 0.090000 
!assign (resid 24 and name HB2)  (resid 24 and name HD1) 2.900000 0.300000 0.240000 
!assign (resid 24 and name HB2)  (resid 24 and name HE3) 3.400000 0.510000 0.410000 
assign (resid 24 and name HB2)  (resid 25 and name H) 4.540000 2.280000 5.140000 
assign (resid 24 and name HB3)  (resid 24 and name HD1) 3.810000 0.780000 0.920000 
assign (resid 24 and name HB3)  (resid 24 and name HE1) 5.250000 2.160000 2.060000 
!assign (resid 24 and name HB3)  (resid 24 and name HE3) 3.180000 0.430000 0.320000 
assign (resid 24 and name HB3)  (resid 26 and name H) 5.000000 1.920000 2.300000 
assign (resid 24 and name HD1)  (resid 24 and name HE1) 2.600000 0.200000 0.160000 
assign (resid 24 and name HD1)  (resid 25 and name H) 5.210000 2.120000 2.100000 
assign (resid 24 and name HE3)  (resid 24 and name HZ3) 2.410000 0.160000 0.140000 
assign (resid 24 and name HE3)  (resid 25 and name H) 4.550000 1.450000 2.730000 
!assign (resid 24 and name HE3)  (resid 25 and name HA) 3.520000 0.590000 0.520000 
!assign (resid 25 and name H)  (resid 25 and name HA) 4.150000 1.120000 3.100000 
assign (resid 25 and name H)  (resid 25 and name HB3) 3.870000 1.240000 4.170000 
assign (resid 25 and name H)  (resid 25 and name HG3) 4.550000 1.430000 2.720000 
assign (resid 25 and name H)  (resid 26 and name H) 2.440000 0.180000 0.150000 
assign (resid 25 and name H)  (resid 27 and name H) 4.350000 1.260000 2.920000 
assign (resid 25 and name HA)  (resid 25 and name HB2) 4.670000 2.490000 4.900000 
assign (resid 25 and name HA)  (resid 25 and name HB3) 3.510000 0.600000 0.510000 
assign (resid 25 and name HA)  (resid 25 and name HG3) 3.880000 1.260000 4.200000 
assign (resid 25 and name HA)  (resid 26 and name H) 3.500000 0.590000 0.500000 
assign (resid 25 and name HA)  (resid 28 and name H) 3.530000 0.600000 0.520000 
assign (resid 25 and name HA)  (resid 28 and name HB2) 4.410000 2.760000 4.620000 
assign (resid 25 and name HA)  (resid 29 and name H) 5.010000 1.910000 2.290000 
!assign (resid 25 and name HB2)  (resid 25 and name HG2) 3.380000 0.690000 0.750000 
assign (resid 25 and name HB3)  (resid 25 and name HG2) 2.980000 0.330000 0.260000 
!assign (resid 25 and name HB3)  (resid 25 and name HG3) 2.350000 0.150000 0.130000 
assign (resid 25 and name HB3)  (resid 26 and name H) 3.050000 0.350000 0.270000 
assign (resid 25 and name HG2)  (resid 25 and name HG3) 1.810000 0.100000 0.090000 
assign (resid 25 and name HG3)  (resid 26 and name H) 5.110000 1.970000 2.200000 
!assign (resid 25 and name HD3)  (resid 26 and name H) 3.900000 0.920000 1.160000 
assign (resid 25 and name HD2)  (resid 26 and name H) 3.830000 0.800000 1.030000 
assign (resid 25 and name HD3)  (resid 26 and name HA) 4.240000 1.130000 3.240000 
assign (resid 25 and name HD2)  (resid 26 and name HA) 4.470000 1.570000 2.790000 
assign (resid 25 and name HD2)  (resid 28 and name HB2) 4.480000 2.830000 4.550000 
assign (resid 26 and name H)  (resid 26 and name HA) 2.810000 0.270000 0.220000 
!assign (resid 26 and name H)  (resid 26 and name HB2) 2.240000 0.150000 0.140000 
assign (resid 26 and name H)  (resid 26 and name HB3) 3.340000 0.480000 0.380000 
assign (resid 26 and name H)  (resid 26 and name HG3) 3.590000 0.630000 1.140000 
assign (resid 26 and name H)  (resid 26 and name HG2) 4.160000 1.630000 3.080000 
assign (resid 26 and name HA)  (resid 26 and name HB2) 2.870000 0.290000 0.230000 
!assign (resid 26 and name HA)  (resid 26 and name HB3) 3.420000 0.540000 0.440000 
assign (resid 26 and name HA)  (resid 26 and name HG3) 4.610000 2.590000 2.660000 
!assign (resid 26 and name HA)  (resid 26 and name HG2) 3.500000 0.590000 1.610000 
assign (resid 26 and name HA)  (resid 27 and name H) 3.510000 0.600000 0.510000 
assign (resid 26 and name HA)  (resid 29 and name H) 3.410000 0.550000 0.440000 
assign (resid 26 and name HA)  (resid 29 and name HB2) 4.700000 2.550000 4.830000 
!assign (resid 26 and name HA)  (resid 30 and name H) 3.820000 0.850000 0.960000 
assign (resid 26 and name HB2)  (resid 26 and name HE22) 4.870000 1.780000 2.420000 
!assign (resid 26 and name HB2)  (resid 27 and name H) 2.910000 0.290000 0.230000 
assign (resid 26 and name HB3)  (resid 26 and name HG3) 2.990000 0.650000 0.250000 
!assign (resid 26 and name HB3)  (resid 26 and name HG2) 2.660000 0.220000 0.510000 
assign (resid 26 and name HB3)  (resid 26 and name HE21) 3.220000 0.440000 0.340000 
assign (resid 26 and name HB3)  (resid 26 and name HE22) 3.880000 0.840000 1.110000 
assign (resid 26 and name HB3)  (resid 27 and name H) 3.410000 0.530000 0.430000 
assign (resid 26 and name HG2)  (resid 30 and name H) 2.920000 1.270000 2.000000 
assign (resid 26 and name HE21)  (resid 26 and name HE22) 1.750000 0.090000 0.090000 
!assign (resid 27 and name H)  (resid 27 and name HB2) 3.630000 0.650000 0.610000 
!assign (resid 27 and name H)  (resid 27 and name HG2) 3.100000 0.370000 0.290000 
!assign (resid 27 and name H)  (resid 27 and name HG3) 2.520000 0.200000 0.170000 
assign (resid 27 and name H)  (resid 28 and name H) 2.680000 0.220000 0.180000 
assign (resid 27 and name H)  (resid 28 and name HB2) 4.400000 2.750000 4.620000 
assign (resid 27 and name HA)  (resid 28 and name H) 3.310000 0.480000 0.380000 
assign (resid 27 and name HB2)  (resid 27 and name HG2) 3.410000 0.730000 0.820000 
assign (resid 27 and name HB2)  (resid 27 and name HG3) 2.480000 0.190000 0.160000 
assign (resid 27 and name HB2)  (resid 28 and name H) 3.090000 0.360000 0.280000 
assign (resid 27 and name HG2)  (resid 27 and name HG3) 1.810000 0.100000 0.090000 
assign (resid 27 and name HG2)  (resid 27 and name HE22) 4.480000 2.170000 5.260000 
assign (resid 27 and name HG2)  (resid 28 and name H) 5.310000 2.190000 2.010000 
assign (resid 27 and name HG3)  (resid 27 and name HE22) 4.200000 1.720000 5.810000 
!assign (resid 27 and name HG3)  (resid 28 and name H) 3.430000 0.570000 0.450000 
assign (resid 27 and name HE21)  (resid 27 and name HE22) 1.750000 0.090000 0.090000 
assign (resid 28 and name H)  (resid 28 and name HA) 2.920000 0.300000 0.240000 
assign (resid 28 and name H)  (resid 28 and name HB3) 2.510000 0.190000 0.380000 
assign (resid 28 and name H)  (resid 28 and name HB2) 2.730000 0.450000 0.190000 
!assign (resid 28 and name H)  (resid 29 and name H) 2.370000 0.160000 0.140000 
assign (resid 28 and name HA)  (resid 28 and name HB3) 5.310000 3.680000 3.970000 
assign (resid 28 and name HA)  (resid 28 and name HB2) 5.640000 3.990000 3.000000 
assign (resid 28 and name HA)  (resid 29 and name H) 3.600000 0.650000 0.590000 
assign (resid 28 and name HA)  (resid 30 and name H) 4.570000 1.500000 2.710000 
assign (resid 29 and name H)  (resid 29 and name HA) 2.820000 0.270000 0.210000 
assign (resid 29 and name H)  (resid 29 and name HB2) 2.090000 0.130000 0.120000 
assign (resid 29 and name H)  (resid 29 and name HB3) 3.390000 0.700000 0.770000 
assign (resid 29 and name H)  (resid 29 and name HG) 3.270000 0.440000 0.350000 
assign (resid 29 and name H)  (resid 29 and name QD1) 4.620000 1.500000 2.660000 
assign (resid 29 and name H)  (resid 29 and name QD2) 5.640000 2.530000 1.700000 
!assign (resid 29 and name H)  (resid 30 and name H) 2.680000 0.240000 0.190000 
!assign (resid 29 and name H)  (resid 32 and name H) 3.610000 0.670000 0.610000 
assign (resid 29 and name HA)  (resid 29 and name HB2) 4.390000 2.020000 5.440000 
assign (resid 29 and name HA)  (resid 29 and name HB3) 4.460000 2.140000 5.290000 
assign (resid 29 and name HA)  (resid 29 and name QD2) 4.420000 2.070000 5.380000 
assign (resid 29 and name HA)  (resid 30 and name H) 3.470000 0.560000 0.480000 
assign (resid 29 and name HB2)  (resid 29 and name HB3) 1.810000 0.100000 0.090000 
!assign (resid 29 and name HB2)  (resid 29 and name HG) 2.990000 0.330000 0.260000 
assign (resid 29 and name HB2)  (resid 29 and name QD1) 3.550000 0.630000 0.540000 
assign (resid 29 and name HB2)  (resid 29 and name QD2) 3.920000 1.310000 4.290000 
assign (resid 29 and name HB2)  (resid 30 and name H) 3.240000 0.440000 0.340000 
assign (resid 29 and name HB3)  (resid 29 and name QD2) 2.990000 0.330000 0.260000 
assign (resid 29 and name HB3)  (resid 30 and name H) 3.010000 0.340000 0.270000 
assign (resid 29 and name HG)  (resid 29 and name QD2) 2.840000 0.260000 0.200000 
assign (resid 29 and name QD1)  (resid 29 and name QD2) 3.370000 0.480000 0.380000 
assign (resid 29 and name QD1)  (resid 30 and name H) 6.700000 3.700000 0.710000 
assign (resid 29 and name QD2)  (resid 30 and name H) 4.970000 3.040000 4.300000 
assign (resid 29 and name QD2)  (resid 30 and name HB3) 6.100000 4.110000 2.720000 
assign (resid 29 and name QD2)  (resid 30 and name HB2) 6.710000 4.310000 0.690000 
assign (resid 30 and name H)  (resid 30 and name HA) 2.840000 0.270000 0.220000 
!assign (resid 30 and name H)  (resid 30 and name HB3) 3.670000 0.700000 0.730000 
!assign (resid 30 and name H)  (resid 30 and name HB2) 3.720000 0.790000 0.760000 
assign (resid 30 and name H)  (resid 30 and name HG3) 4.470000 1.350000 2.870000 
assign (resid 30 and name H)  (resid 30 and name HG2) 4.540000 1.480000 2.730000 
assign (resid 30 and name H)  (resid 31 and name H) 2.700000 0.230000 0.190000 
assign (resid 30 and name H)  (resid 31 and name HB3) 5.510000 2.440000 1.830000 
assign (resid 30 and name H)  (resid 32 and name H) 3.530000 0.610000 0.530000 
assign (resid 30 and name H)  (resid 33 and name H) 4.570000 1.500000 2.700000 
assign (resid 30 and name HA)  (resid 30 and name HG3) 4.370000 2.080000 5.480000 
assign (resid 30 and name HA)  (resid 30 and name HG2) 4.270000 1.830000 5.770000 
assign (resid 30 and name HB3)  (resid 30 and name HG3) 3.000000 1.040000 0.240000 
assign (resid 30 and name HB3)  (resid 30 and name HG2) 2.280000 0.150000 0.850000 
assign (resid 30 and name HB2)  (resid 30 and name HG3) 2.700000 0.220000 0.450000 
assign (resid 30 and name HB2)  (resid 30 and name HG2) 2.970000 0.570000 0.230000 
assign (resid 30 and name HG3)  (resid 31 and name H) 3.800000 1.220000 0.900000 
assign (resid 30 and name HG2)  (resid 31 and name H) 3.390000 0.540000 0.830000 
!assign (resid 30 and name HG3)  (resid 35 and name H) 3.130000 0.390000 0.940000 
assign (resid 30 and name HG2)  (resid 35 and name H) 3.770000 1.410000 0.840000 
assign (resid 31 and name H)  (resid 31 and name HA) 2.910000 0.290000 0.230000 
assign (resid 31 and name H)  (resid 31 and name HB2) 4.090000 1.550000 6.240000 
assign (resid 31 and name H)  (resid 31 and name HB3) 2.860000 0.280000 0.230000 
assign (resid 31 and name H)  (resid 32 and name H) 2.360000 0.180000 0.150000 
assign (resid 31 and name H)  (resid 32 and name HB3) 4.780000 1.660000 2.510000 
assign (resid 31 and name H)  (resid 32 and name HG3) 6.760000 3.730000 0.790000 
assign (resid 31 and name H)  (resid 32 and name HG2) 6.900000 4.020000 0.520000 
!assign (resid 31 and name HA)  (resid 32 and name H) 2.710000 0.230000 0.180000 
assign (resid 31 and name HA)  (resid 32 and name HB2) 5.800000 2.720000 1.550000 
!assign (resid 31 and name HA)  (resid 33 and name H) 3.410000 0.540000 0.440000 
assign (resid 32 and name H)  (resid 32 and name HB3) 2.470000 0.180000 0.150000 
assign (resid 32 and name H)  (resid 32 and name HG3) 4.410000 1.290000 3.050000 
assign (resid 32 and name H)  (resid 32 and name HG2) 4.610000 1.670000 2.660000 
assign (resid 32 and name H)  (resid 33 and name H) 2.720000 0.230000 0.190000 
!assign (resid 33 and name H)  (resid 33 and name HA) 2.590000 0.200000 0.160000 
assign (resid 33 and name H)  (resid 33 and name HB3) 3.750000 1.990000 0.790000 
assign (resid 33 and name H)  (resid 33 and name HB2) 2.490000 0.180000 1.420000 
!assign (resid 33 and name H)  (resid 33 and name HD3) 2.690000 0.220000 1.780000 
assign (resid 33 and name H)  (resid 33 and name HD2) 4.290000 2.640000 2.940000 
!assign (resid 33 and name HB3)  (resid 33 and name HD3) 2.930000 0.300000 0.600000 
!assign (resid 33 and name HB3)  (resid 33 and name HD2) 3.300000 0.820000 0.350000 
assign (resid 33 and name HB2)  (resid 33 and name HD3) 2.210000 0.140000 0.760000 
assign (resid 33 and name HB2)  (resid 33 and name HD2) 2.840000 0.900000 0.210000 
assign (resid 33 and name HB3)  (resid 34 and name H) 2.970000 0.320000 2.110000 
assign (resid 33 and name HB2)  (resid 34 and name H) 4.830000 3.180000 2.460000 
assign (resid 33 and name HB3)  (resid 34 and name QD2) 3.210000 0.430000 1.220000 
assign (resid 33 and name HB2)  (resid 34 and name QD2) 4.100000 1.910000 4.400000 
!assign (resid 33 and name HG3)  (resid 33 and name HD3) 2.510000 0.300000 0.170000 
assign (resid 33 and name HG3)  (resid 33 and name HD2) 2.420000 0.190000 0.250000 
assign (resid 33 and name HG2)  (resid 33 and name HD3) 3.080000 0.940000 0.280000 
assign (resid 33 and name HG2)  (resid 33 and name HD2) 2.520000 0.210000 0.730000 
assign (resid 33 and name HG3)  (resid 34 and name HA) 4.820000 1.690000 2.920000 
assign (resid 33 and name HG2)  (resid 34 and name HA) 5.270000 2.580000 2.050000 
assign (resid 34 and name H)  (resid 34 and name HA) 2.900000 0.280000 0.220000 
!assign (resid 34 and name H)  (resid 34 and name HG) 2.910000 0.290000 0.230000 
assign (resid 34 and name H)  (resid 34 and name QD2) 4.180000 1.690000 5.850000 
assign (resid 34 and name HG)  (resid 34 and name QD2) 2.840000 0.260000 0.200000 
assign (resid 35 and name H)  (resid 35 and name QD2) 4.520000 1.390000 2.750000 


assign   (resid   2   and   name   C)   (resid   3   and   name   N)            
   (resid   3   and   name   CA)   (resid   3   and   name   C)   1   -85.000   28.000   2
                                          
assign   (resid   3   and   name   N)   (resid   3   and   name   CA)            
   (resid   3   and   name   C)   (resid   4   and   name   N)   1   157.000   15.000  2


assign   (resid   3   and   name   C)   (resid   4   and   name   N)            
   (resid   4   and   name   CA)   (resid   4   and   name   C)   1   -61.000   6.000   2
                                          
assign   (resid   4   and   name   N)   (resid   4   and   name   CA)            
   (resid   4   and   name   C)   (resid   5   and   name   N)   1   -35.000   4.000  2


assign   (resid   4   and   name   C)   (resid   5   and   name   N)            
   (resid   5   and   name   CA)   (resid   5   and   name   C)   1   -64.000   7.000   2
                                          
assign   (resid   5   and   name   N)   (resid   5   and   name   CA)            
   (resid   5   and   name   C)   (resid   6   and   name   N)   1   -41.000   9.000  2


assign   (resid   5   and   name   C)   (resid   6   and   name   N)            
   (resid   6   and   name   CA)   (resid   6   and   name   C)   1   -70.000   13.000   2
                                          
assign   (resid   6   and   name   N)   (resid   6   and   name   CA)            
   (resid   6   and   name   C)   (resid   7   and   name   N)   1   -34.000   20.000  2


assign   (resid   7   and   name   C)   (resid   8   and   name   N)            
   (resid   8   and   name   CA)   (resid   8   and   name   C)   1   -70.000   12.000   2
                                          
assign   (resid   8   and   name   N)   (resid   8   and   name   CA)            
   (resid   8   and   name   C)   (resid   9   and   name   N)   1   -30.000   20.000  2


assign   (resid   8   and   name   C)   (resid   9   and   name   N)            
   (resid   9   and   name   CA)   (resid   9   and   name   C)   1   -66.000   6.000   2
                                          
assign   (resid   9   and   name   N)   (resid   9   and   name   CA)            
   (resid   9   and   name   C)   (resid   10   and   name   N)   1   -35.000   11.000  2


assign   (resid   9   and   name   C)   (resid   10   and   name   N)            
   (resid   10   and   name   CA)   (resid   10   and   name   C)   1   -70.000   8.000   2
                                          
assign   (resid   10   and   name   N)   (resid   10   and   name   CA)            
   (resid   10   and   name   C)   (resid   11   and   name   N)   1   -41.000   7.000  2


assign   (resid   10   and   name   C)   (resid   11   and   name   N)            
   (resid   11   and   name   CA)   (resid   11   and   name   C)   1   -67.000   13.000   2
                                          
assign   (resid   11   and   name   N)   (resid   11   and   name   CA)            
   (resid   11   and   name   C)   (resid   12   and   name   N)   1   -28.000   26.000  2


assign   (resid   12   and   name   C)   (resid   13   and   name   N)            
   (resid   13   and   name   CA)   (resid   13   and   name   C)   1   -102.000   17.000   2
                                          
assign   (resid   13   and   name   N)   (resid   13   and   name   CA)            
   (resid   13   and   name   C)   (resid   14   and   name   N)   1   152.000   23.000  2


assign   (resid   14   and   name   C)   (resid   15   and   name   N)            
   (resid   15   and   name   CA)   (resid   15   and   name   C)   1   -60.000   6.000   2
                                          
assign   (resid   15   and   name   N)   (resid   15   and   name   CA)            
   (resid   15   and   name   C)   (resid   16   and   name   N)   1   -37.000   12.000  2


assign   (resid   15   and   name   C)   (resid   16   and   name   N)            
   (resid   16   and   name   CA)   (resid   16   and   name   C)   1   -64.000   3.000   2
                                          
assign   (resid   16   and   name   N)   (resid   16   and   name   CA)            
   (resid   16   and   name   C)   (resid   17   and   name   N)   1   -35.000   8.000  2


assign   (resid   16   and   name   C)   (resid   17   and   name   N)            
   (resid   17   and   name   CA)   (resid   17   and   name   C)   1   -63.000   6.000   2
                                          
assign   (resid   17   and   name   N)   (resid   17   and   name   CA)            
   (resid   17   and   name   C)   (resid   18   and   name   N)   1   -39.000   7.000  2


assign   (resid   17   and   name   C)   (resid   18   and   name   N)            
   (resid   18   and   name   CA)   (resid   18   and   name   C)   1   -66.000   8.000   2
                                          
assign   (resid   18   and   name   N)   (resid   18   and   name   CA)            
   (resid   18   and   name   C)   (resid   19   and   name   N)   1   -44.000   7.000  2


assign   (resid   18   and   name   C)   (resid   19   and   name   N)            
   (resid   19   and   name   CA)   (resid   19   and   name   C)   1   -62.000   4.000   2
                                          
assign   (resid   19   and   name   N)   (resid   19   and   name   CA)            
   (resid   19   and   name   C)   (resid   20   and   name   N)   1   -31.000   11.000  2


assign   (resid   19   and   name   C)   (resid   20   and   name   N)            
   (resid   20   and   name   CA)   (resid   20   and   name   C)   1   -70.000   16.000   2
                                          
assign   (resid   20   and   name   N)   (resid   20   and   name   CA)            
   (resid   20   and   name   C)   (resid   21   and   name   N)   1   -31.000   12.000  2


assign   (resid   23   and   name   C)   (resid   24   and   name   N)            
   (resid   24   and   name   CA)   (resid   24   and   name   C)   1   -60.000   5.000   2
                                          
assign   (resid   24   and   name   N)   (resid   24   and   name   CA)            
   (resid   24   and   name   C)   (resid   25   and   name   N)   1   -46.000   4.000  2


assign   (resid   24   and   name   C)   (resid   25   and   name   N)            
   (resid   25   and   name   CA)   (resid   25   and   name   C)   1   -68.000   12.000   2
                                          
assign   (resid   25   and   name   N)   (resid   25   and   name   CA)            
   (resid   25   and   name   C)   (resid   26   and   name   N)   1   -35.000   17.000  2


assign   (resid   25   and   name   C)   (resid   26   and   name   N)            
   (resid   26   and   name   CA)   (resid   26   and   name   C)   1   -66.000   8.000   2
                                          
assign   (resid   26   and   name   N)   (resid   26   and   name   CA)            
   (resid   26   and   name   C)   (resid   27   and   name   N)   1   -41.000   18.000  2


assign   (resid   26   and   name   C)   (resid   27   and   name   N)            
   (resid   27   and   name   CA)   (resid   27   and   name   C)   1   -62.000   2.000   2
                                          
assign   (resid   27   and   name   N)   (resid   27   and   name   CA)            
   (resid   27   and   name   C)   (resid   28   and   name   N)   1   -40.000   9.000  2


assign   (resid   27   and   name   C)   (resid   28   and   name   N)            
   (resid   28   and   name   CA)   (resid   28   and   name   C)   1   -70.000   12.000   2
                                          
assign   (resid   28   and   name   N)   (resid   28   and   name   CA)            
   (resid   28   and   name   C)   (resid   29   and   name   N)   1   -37.000   7.000  2


assign   (resid   28   and   name   C)   (resid   29   and   name   N)            
   (resid   29   and   name   CA)   (resid   29   and   name   C)   1   -71.000   16.000   2
                                          
assign   (resid   29   and   name   N)   (resid   29   and   name   CA)            
   (resid   29   and   name   C)   (resid   30   and   name   N)   1   -21.000   23.000  2


assign   (resid   29   and   name   C)   (resid   30   and   name   N)            
   (resid   30   and   name   CA)   (resid   30   and   name   C)   1   -65.000   7.000   2
                                          
assign   (resid   30   and   name   N)   (resid   30   and   name   CA)            
   (resid   30   and   name   C)   (resid   31   and   name   N)   1   -40.000   6.000  2


assign   (resid   30   and   name   C)   (resid   31   and   name   N)            
   (resid   31   and   name   CA)   (resid   31   and   name   C)   1   -72.000   12.000   2
                                          
assign   (resid   31   and   name   N)   (resid   31   and   name   CA)            
   (resid   31   and   name   C)   (resid   32   and   name   N)   1   -33.000   10.000  2


assign   (resid   31   and   name   C)   (resid   32   and   name   N)            
   (resid   32   and   name   CA)   (resid   32   and   name   C)   1   -63.000   5.000   2
                                          
assign   (resid   32   and   name   N)   (resid   32   and   name   CA)            
   (resid   32   and   name   C)   (resid   33   and   name   N)   1   -42.000   6.000  2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1  -8.987 -10.611   4.908
    2   2H    MET   1          2H        MET   1  -7.660 -11.165   5.728
    3   3H    MET   1          3H        MET   1  -7.912  -9.537   5.567
    4    HA   MET   1           HA       MET   1  -7.355 -11.413   3.415
    5   1HB   MET   1          1HB       MET   1  -8.488  -8.748   3.458
    6   2HB   MET   1          2HB       MET   1  -6.965  -8.775   2.557
    7   1HG   MET   1          1HG       MET   1  -7.970  -9.668   0.799
    8   2HG   MET   1          2HG       MET   1  -8.495 -11.037   1.781
    9   1HE   MET   1          1HE       MET   1 -11.560  -9.867  -0.332
   10   2HE   MET   1          2HE       MET   1  -9.971 -10.622  -0.454
   11   3HE   MET   1          3HE       MET   1 -11.206 -11.329   0.590
   12    H    LEU   2           H        LEU   2  -6.219  -8.843   5.548
   13    HA   LEU   2           HA       LEU   2  -3.557  -9.884   5.519
   14   1HB   LEU   2          1HB       LEU   2  -4.037  -8.256   3.423
   15   2HB   LEU   2          2HB       LEU   2  -3.565  -7.063   4.646
   16    HG   LEU   2           HG       LEU   2  -1.518  -8.733   4.940
   17   1HD1  LEU   2          1HD1      LEU   2  -2.836  -9.661   2.555
   18   2HD1  LEU   2          2HD1      LEU   2  -1.454 -10.341   3.413
   19   3HD1  LEU   2          3HD1      LEU   2  -1.207  -9.092   2.193
   20   1HD2  LEU   2          1HD2      LEU   2  -0.305  -7.330   3.257
   21   2HD2  LEU   2          2HD2      LEU   2  -1.229  -6.418   4.451
   22   3HD2  LEU   2          3HD2      LEU   2  -1.860  -6.623   2.816
   23    H    SER   3           H        SER   3  -2.869  -9.652   7.533
   24    HA   SER   3           HA       SER   3  -4.175  -8.159   9.491
   25   1HB   SER   3          1HB       SER   3  -1.857  -9.872   9.328
   26   2HB   SER   3          2HB       SER   3  -1.505  -8.469  10.350
   27    HG   SER   3           HG       SER   3  -3.757 -10.175  10.637
   28    H    ASP   4           H        ASP   4  -3.405  -6.334  10.735
   29    HA   ASP   4           HA       ASP   4  -2.791  -4.103   9.163
   30   1HB   ASP   4          1HB       ASP   4  -3.942  -3.814  11.254
   31   2HB   ASP   4          2HB       ASP   4  -2.594  -4.528  12.148
   32    HD2  ASP   4           HD2      ASP   4  -2.252  -0.765  10.954
   33    H    GLU   5           H        GLU   5  -0.731  -6.193  11.120
   34    HA   GLU   5           HA       GLU   5   1.621  -4.616  10.827
   35   1HB   GLU   5          1HB       GLU   5   1.038  -7.411  11.748
   36   2HB   GLU   5          2HB       GLU   5   2.711  -6.909  11.458
   37   1HG   GLU   5          1HG       GLU   5   0.993  -5.174  13.164
   38   2HG   GLU   5          2HG       GLU   5   1.595  -6.698  13.832
   39    HE2  GLU   5           HE2      GLU   5   4.019  -3.705  13.773
   40    H    ASP   6           H        ASP   6   0.200  -7.277   9.029
   41    HA   ASP   6           HA       ASP   6   2.429  -7.848   7.391
   42   1HB   ASP   6          1HB       ASP   6   0.396  -9.310   7.728
   43   2HB   ASP   6          2HB       ASP   6  -0.476  -8.214   6.649
   44    HD2  ASP   6           HD2      ASP   6   1.217  -9.399   3.841
   45    H    PHE   7           H        PHE   7   0.083  -5.321   7.351
   46    HA   PHE   7           HA       PHE   7   0.048  -4.584   4.676
   47   1HB   PHE   7          1HB       PHE   7  -1.380  -3.602   6.464
   48   2HB   PHE   7          2HB       PHE   7   0.026  -2.716   7.056
   49    HD1  PHE   7           HD1      PHE   7   1.138  -1.029   5.557
   50    HD2  PHE   7           HD2      PHE   7  -2.655  -2.746   4.678
   51    HE1  PHE   7           HE1      PHE   7   0.669   0.815   3.996
   52    HE2  PHE   7           HE2      PHE   7  -3.131  -0.906   3.116
   53    HZ   PHE   7           HZ       PHE   7  -1.467   0.877   2.772
   54    H    LYS   8           H        LYS   8   2.329  -3.636   7.223
   55    HA   LYS   8           HA       LYS   8   3.898  -1.962   5.541
   56   1HB   LYS   8          1HB       LYS   8   3.872  -1.697   7.975
   57   2HB   LYS   8          2HB       LYS   8   4.599  -3.301   8.161
   58   1HG   LYS   8          1HG       LYS   8   6.624  -2.546   7.033
   59   2HG   LYS   8          2HG       LYS   8   5.897  -0.946   6.804
   60   1HD   LYS   8          1HD       LYS   8   7.028  -0.478   8.714
   61   2HD   LYS   8          2HD       LYS   8   5.584  -1.188   9.457
   62   1HE   LYS   8          1HE       LYS   8   7.594  -3.180   8.693
   63   2HE   LYS   8          2HE       LYS   8   8.172  -2.005   9.883
   64   1HZ   LYS   8          1HZ       LYS   8   5.740  -2.633  10.847
   65   2HZ   LYS   8          2HZ       LYS   8   7.187  -3.352  11.348
   66   3HZ   LYS   8          3HZ       LYS   8   6.226  -4.111  10.181
   67    H    ALA   9           H        ALA   9   3.764  -5.360   6.075
   68    HA   ALA   9           HA       ALA   9   6.422  -5.984   5.247
   69   1HB   ALA   9          1HB       ALA   9   5.091  -7.510   6.625
   70   2HB   ALA   9          2HB       ALA   9   3.970  -7.742   5.282
   71   3HB   ALA   9          3HB       ALA   9   5.642  -8.286   5.140
   72    H    VAL  10           H        VAL  10   3.282  -5.867   3.613
   73    HA   VAL  10           HA       VAL  10   4.370  -6.723   1.089
   74    HB   VAL  10           HB       VAL  10   1.672  -5.678   1.921
   75   1HG1  VAL  10          1HG1      VAL  10   2.034  -4.794  -0.284
   76   2HG1  VAL  10          2HG1      VAL  10   2.616  -6.356  -0.862
   77   3HG1  VAL  10          3HG1      VAL  10   0.926  -6.160  -0.398
   78   1HG2  VAL  10          1HG2      VAL  10   2.480  -8.061   2.390
   79   2HG2  VAL  10          2HG2      VAL  10   0.917  -7.871   1.595
   80   3HG2  VAL  10          3HG2      VAL  10   2.339  -8.315   0.651
   81    H    PHE  11           H        PHE  11   3.441  -3.666   2.578
   82    HA   PHE  11           HA       PHE  11   3.603  -2.022   0.325
   83   1HB   PHE  11          1HB       PHE  11   3.422  -1.692   3.191
   84   2HB   PHE  11          2HB       PHE  11   4.534  -0.506   2.506
   85    HD1  PHE  11           HD2      PHE  11   1.490  -1.940   0.945
   86    HD2  PHE  11           HD1      PHE  11   3.355   1.495   2.629
   87    HE1  PHE  11           HE2      PHE  11  -0.407  -0.555   0.211
   88    HE2  PHE  11           HE1      PHE  11   1.460   2.886   1.899
   89    HZ   PHE  11           HZ       PHE  11  -0.424   1.861   0.687
   90    H    GLY  12           H        GLY  12   6.102  -3.083   2.592
   91   1HA   GLY  12          1HA       GLY  12   8.365  -3.405   2.032
   92   2HA   GLY  12          2HA       GLY  12   8.127  -2.422   0.595
   93    H    MET  13           H        MET  13   6.790  -0.296   2.178
   94    HA   MET  13           HA       MET  13   9.183   0.792   3.513
   95   1HB   MET  13          1HB       MET  13   8.548   1.826   1.280
   96   2HB   MET  13          2HB       MET  13   7.097   2.441   2.089
   97   1HG   MET  13          1HG       MET  13   8.218   4.040   3.216
   98   2HG   MET  13          2HG       MET  13   9.638   3.016   3.449
   99   1HE   MET  13          1HE       MET  13  11.277   2.436   1.821
  100   2HE   MET  13          2HE       MET  13  10.610   2.353   0.191
  101   3HE   MET  13          3HE       MET  13  11.877   3.522   0.567
  102    H    THR  14           H        THR  14   8.685   2.519   5.117
  103    HA   THR  14           HA       THR  14   7.079   1.624   7.162
  104    HB   THR  14           HB       THR  14   7.420   4.576   6.851
  105    HG1  THR  14           HG1      THR  14   9.621   4.361   7.396
  106   1HG2  THR  14          1HG2      THR  14   6.526   3.133   8.896
  107   2HG2  THR  14          2HG2      THR  14   7.480   4.596   9.136
  108   3HG2  THR  14          3HG2      THR  14   8.251   3.013   9.238
  109    H    ARG  15           H        ARG  15   4.982   1.126   6.858
  110    HA   ARG  15           HA       ARG  15   3.172   2.347   5.156
  111   1HB   ARG  15          1HB       ARG  15   1.489   1.126   6.221
  112   2HB   ARG  15          2HB       ARG  15   2.948   0.164   6.497
  113   1HG   ARG  15          1HG       ARG  15   2.184   0.113   8.616
  114   2HG   ARG  15          2HG       ARG  15   2.996   1.685   8.705
  115   1HD   ARG  15          1HD       ARG  15   0.717   1.776   9.634
  116   2HD   ARG  15          2HD       ARG  15   0.913   2.830   8.226
  117    HE   ARG  15           HE       ARG  15  -0.584   1.527   7.064
  118   1HH1  ARG  15          1HH1      ARG  15   0.358  -0.095   9.998
  119   2HH1  ARG  15          2HH1      ARG  15  -0.851  -1.329   9.858
  120   1HH2  ARG  15          1HH2      ARG  15  -2.179  -0.092   6.870
  121   2HH2  ARG  15          2HH2      ARG  15  -2.293  -1.326   8.078
  122    H    SER  16           H        SER  16   4.288   3.349   8.285
  123    HA   SER  16           HA       SER  16   2.172   5.127   8.915
  124   1HB   SER  16          1HB       SER  16   4.860   4.511   9.961
  125   2HB   SER  16          2HB       SER  16   4.341   6.187  10.210
  126    HG   SER  16           HG       SER  16   2.568   4.093  10.807
  127    H    ALA  17           H        ALA  17   5.323   5.589   7.353
  128    HA   ALA  17           HA       ALA  17   4.991   8.396   6.977
  129   1HB   ALA  17          1HB       ALA  17   6.851   6.510   5.536
  130   2HB   ALA  17          2HB       ALA  17   6.984   8.268   5.612
  131   3HB   ALA  17          3HB       ALA  17   7.197   7.304   7.073
  132    H    PHE  18           H        PHE  18   4.283   5.542   5.061
  133    HA   PHE  18           HA       PHE  18   3.707   6.985   2.656
  134   1HB   PHE  18          1HB       PHE  18   3.725   4.195   3.545
  135   2HB   PHE  18          2HB       PHE  18   2.402   4.555   2.434
  136    HD1  PHE  18           HD1      PHE  18   5.790   6.060   2.459
  137    HD2  PHE  18           HD2      PHE  18   3.052   3.477   0.471
  138    HE1  PHE  18           HE1      PHE  18   7.327   5.908   0.544
  139    HE2  PHE  18           HE2      PHE  18   4.586   3.320  -1.446
  140    HZ   PHE  18           HZ       PHE  18   6.727   4.537  -1.411
  141    H    ALA  19           H        ALA  19   1.835   5.757   5.367
  142    HA   ALA  19           HA       ALA  19  -0.736   6.068   4.318
  143   1HB   ALA  19          1HB       ALA  19  -0.298   4.862   6.386
  144   2HB   ALA  19          2HB       ALA  19   0.169   6.367   7.179
  145   3HB   ALA  19          3HB       ALA  19  -1.495   6.131   6.645
  146    H    ASN  20           H        ASN  20   1.576   8.415   5.260
  147    HA   ASN  20           HA       ASN  20  -0.087  10.542   6.020
  148   1HB   ASN  20          1HB       ASN  20   2.654  10.464   4.748
  149   2HB   ASN  20          2HB       ASN  20   1.869  11.975   5.222
  150   1HD2  ASN  20          1HD2      ASN  20   0.724  11.471   7.564
  151   2HD2  ASN  20          2HD2      ASN  20   1.892  11.004   8.748
  152    H    LEU  21           H        LEU  21   0.412   9.070   2.981
  153    HA   LEU  21           HA       LEU  21  -0.596  11.397   1.520
  154   1HB   LEU  21          1HB       LEU  21   1.031   9.057   0.868
  155   2HB   LEU  21          2HB       LEU  21  -0.244   9.380  -0.320
  156    HG   LEU  21           HG       LEU  21   0.656  11.485  -0.874
  157   1HD1  LEU  21          1HD1      LEU  21   2.515  12.517   0.346
  158   2HD1  LEU  21          2HD1      LEU  21   2.463  11.206   1.522
  159   3HD1  LEU  21          3HD1      LEU  21   1.093  12.305   1.368
  160   1HD2  LEU  21          1HD2      LEU  21   2.206   9.146  -1.044
  161   2HD2  LEU  21          2HD2      LEU  21   3.316  10.455  -0.641
  162   3HD2  LEU  21          3HD2      LEU  21   2.289  10.579  -2.070
  163    HA   PRO  22           HA       PRO  22  -4.679   9.868   1.028
  164   1HB   PRO  22          1HB       PRO  22  -5.258  10.550  -1.561
  165   2HB   PRO  22          2HB       PRO  22  -5.118  11.725  -0.253
  166   1HG   PRO  22          1HG       PRO  22  -3.084  10.909  -2.300
  167   2HG   PRO  22          2HG       PRO  22  -3.535  12.560  -1.737
  168   1HD   PRO  22          1HD       PRO  22  -1.308  11.274  -0.868
  169   2HD   PRO  22          2HD       PRO  22  -2.241  12.373   0.161
  170    H    LEU  23           H        LEU  23  -6.019   8.286  -0.022
  171    HA   LEU  23           HA       LEU  23  -4.662   5.908  -0.689
  172   1HB   LEU  23          1HB       LEU  23  -7.422   6.802  -0.377
  173   2HB   LEU  23          2HB       LEU  23  -7.229   5.579  -1.645
  174    HG   LEU  23           HG       LEU  23  -5.905   4.932   0.899
  175   1HD1  LEU  23          1HD1      LEU  23  -7.821   5.955   1.874
  176   2HD1  LEU  23          2HD1      LEU  23  -8.074   4.211   1.916
  177   3HD1  LEU  23          3HD1      LEU  23  -8.898   5.192   0.705
  178   1HD2  LEU  23          1HD2      LEU  23  -6.794   3.620  -1.408
  179   2HD2  LEU  23          2HD2      LEU  23  -7.828   3.043  -0.100
  180   3HD2  LEU  23          3HD2      LEU  23  -6.075   2.895   0.030
  181    H    TRP  24           H        TRP  24  -5.592   8.603  -2.571
  182    HA   TRP  24           HA       TRP  24  -6.063   7.503  -5.074
  183   1HB   TRP  24          1HB       TRP  24  -4.863  10.106  -4.163
  184   2HB   TRP  24          2HB       TRP  24  -4.932   9.714  -5.883
  185    HD1  TRP  24           HD1      TRP  24  -7.188  10.654  -2.958
  186    HE1  TRP  24           HE1      TRP  24  -9.527  11.230  -3.865
  187    HE3  TRP  24           HE3      TRP  24  -6.560   9.191  -7.816
  188    HZ2  TRP  24           HZ2      TRP  24 -10.921  11.083  -6.315
  189    HZ3  TRP  24           HZ3      TRP  24  -8.445   9.441  -9.377
  190    HH2  TRP  24           HH2      TRP  24 -10.580  10.368  -8.640
  191    H    LYS  25           H        LYS  25  -2.988   8.266  -3.500
  192    HA   LYS  25           HA       LYS  25  -1.392   7.508  -5.750
  193   1HB   LYS  25          1HB       LYS  25  -0.809   9.083  -3.762
  194   2HB   LYS  25          2HB       LYS  25  -0.374   7.585  -2.927
  195   1HG   LYS  25          1HG       LYS  25   0.797   7.692  -5.574
  196   2HG   LYS  25          2HG       LYS  25   1.252   9.093  -4.589
  197   1HD   LYS  25          1HD       LYS  25   1.704   7.317  -2.730
  198   2HD   LYS  25          2HD       LYS  25   1.770   6.189  -4.094
  199   1HE   LYS  25          1HE       LYS  25   3.421   7.866  -5.151
  200   2HE   LYS  25          2HE       LYS  25   3.539   8.543  -3.521
  201   1HZ   LYS  25          1HZ       LYS  25   4.052   6.175  -2.800
  202   2HZ   LYS  25          2HZ       LYS  25   5.260   6.999  -3.648
  203   3HZ   LYS  25          3HZ       LYS  25   4.311   5.843  -4.438
  204    H    GLN  26           H        GLN  26  -2.856   5.837  -3.109
  205    HA   GLN  26           HA       GLN  26  -1.149   3.564  -3.082
  206   1HB   GLN  26          1HB       GLN  26  -3.322   4.497  -1.580
  207   2HB   GLN  26          2HB       GLN  26  -3.866   2.967  -2.285
  208   1HG   GLN  26          1HG       GLN  26  -2.593   1.750  -0.924
  209   2HG   GLN  26          2HG       GLN  26  -1.183   2.783  -1.200
  210   1HE2  GLN  26          1HE2      GLN  26  -3.966   2.209   0.787
  211   2HE2  GLN  26          2HE2      GLN  26  -3.525   3.275   2.072
  212    H    GLN  27           H        GLN  27  -3.760   4.576  -5.099
  213    HA   GLN  27           HA       GLN  27  -4.666   2.111  -6.064
  214   1HB   GLN  27          1HB       GLN  27  -4.931   4.905  -6.765
  215   2HB   GLN  27          2HB       GLN  27  -4.784   3.902  -8.219
  216   1HG   GLN  27          1HG       GLN  27  -6.706   2.664  -7.721
  217   2HG   GLN  27          2HG       GLN  27  -6.717   3.212  -6.039
  218   1HE2  GLN  27          1HE2      GLN  27  -9.030   3.506  -6.998
  219   2HE2  GLN  27          2HE2      GLN  27  -9.383   5.107  -7.545
  220    H    ASN  28           H        ASN  28  -1.831   3.994  -6.844
  221    HA   ASN  28           HA       ASN  28  -1.182   2.438  -9.186
  222   1HB   ASN  28          1HB       ASN  28  -0.520   4.760  -9.153
  223   2HB   ASN  28          2HB       ASN  28   0.372   4.525  -7.645
  224   1HD2  ASN  28          1HD2      ASN  28   2.196   5.399  -8.766
  225   2HD2  ASN  28          2HD2      ASN  28   3.142   4.388  -9.799
  226    H    LEU  29           H        LEU  29  -0.007   2.703  -5.853
  227    HA   LEU  29           HA       LEU  29   2.152   0.973  -5.988
  228   1HB   LEU  29          1HB       LEU  29   0.791   2.351  -4.000
  229   2HB   LEU  29          2HB       LEU  29   0.629   0.648  -3.537
  230    HG   LEU  29           HG       LEU  29   3.226   2.113  -4.003
  231   1HD1  LEU  29          1HD1      LEU  29   3.450   1.519  -1.508
  232   2HD1  LEU  29          2HD1      LEU  29   1.696   1.343  -1.547
  233   3HD1  LEU  29          3HD1      LEU  29   2.436   2.890  -1.961
  234   1HD2  LEU  29          1HD2      LEU  29   2.883  -0.644  -2.864
  235   2HD2  LEU  29          2HD2      LEU  29   4.356   0.139  -3.438
  236   3HD2  LEU  29          3HD2      LEU  29   3.119  -0.367  -4.590
  237    H    LYS  30           H        LYS  30  -1.266   0.235  -5.412
  238    HA   LYS  30           HA       LYS  30  -0.985  -2.511  -4.935
  239   1HB   LYS  30          1HB       LYS  30  -3.042  -1.248  -4.465
  240   2HB   LYS  30          2HB       LYS  30  -3.309  -1.051  -6.205
  241   1HG   LYS  30          1HG       LYS  30  -3.800  -3.316  -6.521
  242   2HG   LYS  30          2HG       LYS  30  -3.090  -3.768  -4.961
  243   1HD   LYS  30          1HD       LYS  30  -5.232  -1.831  -4.638
  244   2HD   LYS  30          2HD       LYS  30  -5.777  -3.290  -5.486
  245   1HE   LYS  30          1HE       LYS  30  -6.116  -3.869  -3.265
  246   2HE   LYS  30          2HE       LYS  30  -4.520  -4.556  -3.602
  247   1HZ   LYS  30          1HZ       LYS  30  -4.552  -1.823  -2.607
  248   2HZ   LYS  30          2HZ       LYS  30  -3.499  -3.096  -2.245
  249   3HZ   LYS  30          3HZ       LYS  30  -5.018  -3.021  -1.506
  250    H    LYS  31           H        LYS  31  -1.181  -0.677  -7.919
  251    HA   LYS  31           HA       LYS  31  -1.430  -3.005  -9.591
  252   1HB   LYS  31          1HB       LYS  31  -2.321  -0.736 -10.185
  253   2HB   LYS  31          2HB       LYS  31  -0.647  -0.199 -10.396
  254   1HG   LYS  31          1HG       LYS  31  -0.414  -2.104 -12.082
  255   2HG   LYS  31          2HG       LYS  31  -2.183  -2.192 -12.027
  256   1HD   LYS  31          1HD       LYS  31  -2.144  -0.645 -13.650
  257   2HD   LYS  31          2HD       LYS  31  -1.749   0.495 -12.352
  258   1HE   LYS  31          1HE       LYS  31   0.596   0.321 -12.786
  259   2HE   LYS  31          2HE       LYS  31   0.339  -1.041 -13.886
  260   1HZ   LYS  31          1HZ       LYS  31  -1.185   1.161 -14.759
  261   2HZ   LYS  31          2HZ       LYS  31   0.075   0.364 -15.558
  262   3HZ   LYS  31          3HZ       LYS  31   0.415   1.660 -14.524
  263    H    GLU  32           H        GLU  32   1.155  -1.138  -8.237
  264    HA   GLU  32           HA       GLU  32   3.204  -1.843 -10.044
  265   1HB   GLU  32          1HB       GLU  32   3.374   0.008  -8.413
  266   2HB   GLU  32          2HB       GLU  32   3.438  -1.182  -7.103
  267   1HG   GLU  32          1HG       GLU  32   5.621  -1.456  -7.351
  268   2HG   GLU  32          2HG       GLU  32   5.429  -1.785  -9.079
  269    HE2  GLU  32           HE2      GLU  32   7.222   1.434  -8.269
  270    H    LYS  33           H        LYS  33   1.886  -3.418  -7.194
  271    HA   LYS  33           HA       LYS  33   3.569  -5.760  -7.793
  272   1HB   LYS  33          1HB       LYS  33   2.954  -4.425  -5.192
  273   2HB   LYS  33          2HB       LYS  33   3.124  -6.187  -5.211
  274   1HG   LYS  33          1HG       LYS  33   5.348  -6.109  -5.457
  275   2HG   LYS  33          2HG       LYS  33   5.264  -4.766  -6.611
  276   1HD   LYS  33          1HD       LYS  33   4.667  -3.306  -4.570
  277   2HD   LYS  33          2HD       LYS  33   5.279  -4.665  -3.611
  278   1HE   LYS  33          1HE       LYS  33   7.457  -4.452  -4.454
  279   2HE   LYS  33          2HE       LYS  33   6.910  -3.492  -5.837
  280   1HZ   LYS  33          1HZ       LYS  33   6.354  -2.314  -3.254
  281   2HZ   LYS  33          2HZ       LYS  33   6.971  -1.603  -4.659
  282   3HZ   LYS  33          3HZ       LYS  33   7.999  -2.458  -3.622
  283    H    LEU  34           H        LEU  34   0.765  -5.041  -5.709
  284    HA   LEU  34           HA       LEU  34  -0.450  -7.529  -5.959
  285   1HB   LEU  34          1HB       LEU  34  -1.159  -4.895  -4.950
  286   2HB   LEU  34          2HB       LEU  34  -2.548  -5.741  -5.653
  287    HG   LEU  34           HG       LEU  34  -2.320  -6.051  -3.204
  288   1HD1  LEU  34          1HD1      LEU  34  -1.898  -8.655  -4.641
  289   2HD1  LEU  34          2HD1      LEU  34  -3.385  -7.719  -4.789
  290   3HD1  LEU  34          3HD1      LEU  34  -2.883  -8.335  -3.214
  291   1HD2  LEU  34          1HD2      LEU  34   0.119  -6.043  -3.073
  292   2HD2  LEU  34          2HD2      LEU  34   0.178  -7.568  -3.956
  293   3HD2  LEU  34          3HD2      LEU  34  -0.554  -7.505  -2.351
  294    H    LEU  35           H        LEU  35  -2.836  -7.638  -6.881
  295    HA   LEU  35           HA       LEU  35  -2.664  -6.817  -9.705
  296   1HB   LEU  35          1HB       LEU  35  -3.077  -9.355  -8.506
  297   2HB   LEU  35          2HB       LEU  35  -4.590  -8.882  -9.298
  298    HG   LEU  35           HG       LEU  35  -3.263 -10.230 -10.796
  299   1HD1  LEU  35          1HD1      LEU  35  -3.201  -8.766 -12.710
  300   2HD1  LEU  35          2HD1      LEU  35  -3.180  -7.345 -11.666
  301   3HD1  LEU  35          3HD1      LEU  35  -4.608  -8.378 -11.720
  302   1HD2  LEU  35          1HD2      LEU  35  -1.048 -10.142 -10.480
  303   2HD2  LEU  35          2HD2      LEU  35  -1.109  -8.505  -9.828
  304   3HD2  LEU  35          3HD2      LEU  35  -1.097  -8.760 -11.574
  305    H    PHE  36           H        PHE  36  -5.014  -7.494  -7.115
  306    HA   PHE  36           HA       PHE  36  -6.693  -5.338  -8.207
  307   1HB   PHE  36          1HB       PHE  36  -7.343  -8.065  -8.202
  308   2HB   PHE  36          2HB       PHE  36  -8.255  -7.374  -6.858
  309    HD1  PHE  36           HD1      PHE  36  -9.452  -5.068  -7.428
  310    HD2  PHE  36           HD2      PHE  36  -8.359  -8.043 -10.270
  311    HE1  PHE  36           HE1      PHE  36 -11.142  -4.195  -8.988
  312    HE2  PHE  36           HE2      PHE  36 -10.047  -7.173 -11.834
  313    HZ   PHE  36           HZ       PHE  36 -11.441  -5.246 -11.195
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1  -8.639 -10.595   2.336
    2   2H    MET   1          2H        MET   1  -7.470  -9.497   1.927
    3   3H    MET   1          3H        MET   1  -7.075 -11.093   2.121
    4    HA   MET   1           HA       MET   1  -8.027  -9.290   4.196
    5   1HB   MET   1          1HB       MET   1  -7.451 -11.164   5.727
    6   2HB   MET   1          2HB       MET   1  -8.790 -11.534   4.631
    7   1HG   MET   1          1HG       MET   1  -6.150 -12.305   3.606
    8   2HG   MET   1          2HG       MET   1  -6.645 -13.142   5.080
    9   1HE   MET   1          1HE       MET   1  -7.002 -14.769   1.407
   10   2HE   MET   1          2HE       MET   1  -5.851 -14.371   2.684
   11   3HE   MET   1          3HE       MET   1  -6.932 -15.752   2.870
   12    H    LEU   2           H        LEU   2  -6.476  -8.329   5.427
   13    HA   LEU   2           HA       LEU   2  -3.724  -9.136   5.335
   14   1HB   LEU   2          1HB       LEU   2  -4.401  -7.627   3.233
   15   2HB   LEU   2          2HB       LEU   2  -4.089  -6.344   4.415
   16    HG   LEU   2           HG       LEU   2  -1.810  -7.382   4.764
   17   1HD1  LEU   2          1HD1      LEU   2  -2.851  -9.458   3.302
   18   2HD1  LEU   2          2HD1      LEU   2  -1.141  -9.188   3.638
   19   3HD1  LEU   2          3HD1      LEU   2  -1.842  -8.615   2.125
   20   1HD2  LEU   2          1HD2      LEU   2  -1.809  -5.398   3.558
   21   2HD2  LEU   2          2HD2      LEU   2  -2.697  -6.101   2.206
   22   3HD2  LEU   2          3HD2      LEU   2  -1.005  -6.525   2.465
   23    H    SER   3           H        SER   3  -3.190  -8.952   7.401
   24    HA   SER   3           HA       SER   3  -4.519  -7.215   9.216
   25   1HB   SER   3          1HB       SER   3  -2.875  -9.463   9.423
   26   2HB   SER   3          2HB       SER   3  -1.933  -8.156  10.161
   27    HG   SER   3           HG       SER   3  -3.386  -7.945  11.716
   28    H    ASP   4           H        ASP   4  -3.401  -5.614  10.591
   29    HA   ASP   4           HA       ASP   4  -2.307  -3.536   9.091
   30   1HB   ASP   4          1HB       ASP   4  -1.732  -2.498  11.267
   31   2HB   ASP   4          2HB       ASP   4  -3.384  -3.128  11.227
   32    HD2  ASP   4           HD2      ASP   4  -1.081  -4.399  14.032
   33    H    GLU   5           H        GLU   5  -0.733  -6.063  10.984
   34    HA   GLU   5           HA       GLU   5   1.897  -5.004  10.730
   35   1HB   GLU   5          1HB       GLU   5   0.682  -7.555  11.668
   36   2HB   GLU   5          2HB       GLU   5   2.393  -7.585  11.214
   37   1HG   GLU   5          1HG       GLU   5   2.421  -5.409  12.767
   38   2HG   GLU   5          2HG       GLU   5   1.062  -6.273  13.500
   39    HE2  GLU   5           HE2      GLU   5   3.129  -8.669  14.881
   40    H    ASP   6           H        ASP   6  -0.056  -7.216   8.836
   41    HA   ASP   6           HA       ASP   6   2.087  -8.071   7.141
   42   1HB   ASP   6          1HB       ASP   6  -0.183  -9.245   7.649
   43   2HB   ASP   6          2HB       ASP   6  -0.810  -8.206   6.363
   44    HD2  ASP   6           HD2      ASP   6   0.951 -11.428   5.275
   45    H    PHE   7           H        PHE   7  -0.090  -5.390   7.203
   46    HA   PHE   7           HA       PHE   7  -0.133  -4.660   4.511
   47   1HB   PHE   7          1HB       PHE   7  -1.535  -3.647   6.306
   48   2HB   PHE   7          2HB       PHE   7  -0.105  -2.795   6.891
   49    HD1  PHE   7           HD2      PHE   7   1.015  -1.102   5.435
   50    HD2  PHE   7           HD1      PHE   7  -2.768  -2.802   4.474
   51    HE1  PHE   7           HE2      PHE   7   0.584   0.749   3.873
   52    HE2  PHE   7           HE1      PHE   7  -3.204  -0.953   2.909
   53    HZ   PHE   7           HZ       PHE   7  -1.528   0.826   2.608
   54    H    LYS   8           H        LYS   8   2.164  -3.781   7.068
   55    HA   LYS   8           HA       LYS   8   3.784  -2.144   5.403
   56   1HB   LYS   8          1HB       LYS   8   3.703  -2.000   7.892
   57   2HB   LYS   8          2HB       LYS   8   4.562  -3.545   7.966
   58   1HG   LYS   8          1HG       LYS   8   6.535  -2.638   7.083
   59   2HG   LYS   8          2HG       LYS   8   5.698  -1.187   6.505
   60   1HD   LYS   8          1HD       LYS   8   5.727  -0.173   8.539
   61   2HD   LYS   8          2HD       LYS   8   5.569  -1.705   9.415
   62   1HE   LYS   8          1HE       LYS   8   8.106  -1.144   7.927
   63   2HE   LYS   8          2HE       LYS   8   7.815  -0.338   9.475
   64   1HZ   LYS   8          1HZ       LYS   8   7.211  -2.817  10.151
   65   2HZ   LYS   8          2HZ       LYS   8   8.786  -2.208  10.246
   66   3HZ   LYS   8          3HZ       LYS   8   8.322  -3.152   8.921
   67    H    ALA   9           H        ALA   9   3.534  -5.537   5.872
   68    HA   ALA   9           HA       ALA   9   6.177  -6.244   5.066
   69   1HB   ALA   9          1HB       ALA   9   3.659  -7.905   5.032
   70   2HB   ALA   9          2HB       ALA   9   5.309  -8.513   4.892
   71   3HB   ALA   9          3HB       ALA   9   4.774  -7.751   6.390
   72    H    VAL  10           H        VAL  10   3.063  -6.003   3.391
   73    HA   VAL  10           HA       VAL  10   4.169  -6.826   0.864
   74    HB   VAL  10           HB       VAL  10   1.484  -5.740   1.681
   75   1HG1  VAL  10          1HG1      VAL  10   1.897  -4.812  -0.497
   76   2HG1  VAL  10          2HG1      VAL  10   2.454  -6.374  -1.103
   77   3HG1  VAL  10          3HG1      VAL  10   0.761  -6.150  -0.659
   78   1HG2  VAL  10          1HG2      VAL  10   0.686  -7.906   1.292
   79   2HG2  VAL  10          2HG2      VAL  10   2.111  -8.361   0.358
   80   3HG2  VAL  10          3HG2      VAL  10   2.232  -8.152   2.104
   81    H    PHE  11           H        PHE  11   3.285  -3.784   2.409
   82    HA   PHE  11           HA       PHE  11   3.518  -2.092   0.197
   83   1HB   PHE  11          1HB       PHE  11   3.297  -1.824   3.066
   84   2HB   PHE  11          2HB       PHE  11   4.448  -0.649   2.428
   85    HD1  PHE  11           HD1      PHE  11   1.402  -1.973   0.776
   86    HD2  PHE  11           HD2      PHE  11   3.311   1.376   2.581
   87    HE1  PHE  11           HE1      PHE  11  -0.449  -0.527   0.042
   88    HE2  PHE  11           HE2      PHE  11   1.463   2.828   1.851
   89    HZ   PHE  11           HZ       PHE  11  -0.421   1.876   0.581
   90    H    GLY  12           H        GLY  12   5.957  -3.245   2.486
   91   1HA   GLY  12          1HA       GLY  12   8.222  -3.607   1.958
   92   2HA   GLY  12          2HA       GLY  12   8.028  -2.596   0.534
   93    H    MET  13           H        MET  13   6.708  -0.470   2.134
   94    HA   MET  13           HA       MET  13   9.101   0.548   3.521
   95   1HB   MET  13          1HB       MET  13   8.519   1.634   1.300
   96   2HB   MET  13          2HB       MET  13   7.066   2.258   2.096
   97   1HG   MET  13          1HG       MET  13   8.194   3.821   3.267
   98   2HG   MET  13          2HG       MET  13   9.591   2.768   3.509
   99   1HE   MET  13          1HE       MET  13   9.665   6.030   2.719
  100   2HE   MET  13          2HE       MET  13  10.979   4.992   3.275
  101   3HE   MET  13          3HE       MET  13  11.153   5.913   1.781
  102    H    THR  14           H        THR  14   8.617   2.252   5.151
  103    HA   THR  14           HA       THR  14   6.962   1.351   7.156
  104    HB   THR  14           HB       THR  14   7.178   4.274   7.128
  105    HG1  THR  14           HG1      THR  14   9.059   4.084   6.047
  106   1HG2  THR  14          1HG2      THR  14   7.707   1.989   8.940
  107   2HG2  THR  14          2HG2      THR  14   6.876   3.515   9.252
  108   3HG2  THR  14          3HG2      THR  14   8.639   3.460   9.217
  109    H    ARG  15           H        ARG  15   4.859   0.904   6.810
  110    HA   ARG  15           HA       ARG  15   3.101   2.197   5.108
  111   1HB   ARG  15          1HB       ARG  15   1.376   0.992   6.126
  112   2HB   ARG  15          2HB       ARG  15   2.810  -0.007   6.402
  113   1HG   ARG  15          1HG       ARG  15   2.016  -0.084   8.508
  114   2HG   ARG  15          2HG       ARG  15   2.863   1.467   8.641
  115   1HD   ARG  15          1HD       ARG  15   0.573   1.590   9.542
  116   2HD   ARG  15          2HD       ARG  15   0.813   2.669   8.160
  117    HE   ARG  15           HE       ARG  15  -0.696   1.426   6.948
  118   1HH1  ARG  15          1HH1      ARG  15   0.162  -0.277   9.862
  119   2HH1  ARG  15          2HH1      ARG  15  -1.074  -1.477   9.679
  120   1HH2  ARG  15          1HH2      ARG  15  -2.327  -0.149   6.698
  121   2HH2  ARG  15          2HH2      ARG  15  -2.488  -1.404   7.879
  122    H    SER  16           H        SER  16   4.190   3.111   8.275
  123    HA   SER  16           HA       SER  16   2.105   4.924   8.908
  124   1HB   SER  16          1HB       SER  16   4.294   3.908  10.244
  125   2HB   SER  16          2HB       SER  16   4.744   5.603   9.993
  126    HG   SER  16           HG       SER  16   2.535   4.551  11.390
  127    H    ALA  17           H        ALA  17   5.289   5.346   7.403
  128    HA   ALA  17           HA       ALA  17   5.025   8.166   7.080
  129   1HB   ALA  17          1HB       ALA  17   7.205   7.024   7.185
  130   2HB   ALA  17          2HB       ALA  17   6.863   6.268   5.627
  131   3HB   ALA  17          3HB       ALA  17   7.033   8.020   5.739
  132    H    PHE  18           H        PHE  18   4.281   5.369   5.094
  133    HA   PHE  18           HA       PHE  18   3.771   6.874   2.713
  134   1HB   PHE  18          1HB       PHE  18   3.714   4.067   3.544
  135   2HB   PHE  18          2HB       PHE  18   2.417   4.480   2.420
  136    HD1  PHE  18           HD2      PHE  18   5.836   5.908   2.526
  137    HD2  PHE  18           HD1      PHE  18   3.074   3.424   0.449
  138    HE1  PHE  18           HE2      PHE  18   7.398   5.759   0.632
  139    HE2  PHE  18           HE1      PHE  18   4.632   3.271  -1.449
  140    HZ   PHE  18           HZ       PHE  18   6.798   4.441  -1.359
  141    H    ALA  19           H        ALA  19   1.834   5.632   5.370
  142    HA   ALA  19           HA       ALA  19  -0.714   6.042   4.281
  143   1HB   ALA  19          1HB       ALA  19  -1.517   6.026   6.591
  144   2HB   ALA  19          2HB       ALA  19  -0.342   4.741   6.307
  145   3HB   ALA  19          3HB       ALA  19   0.140   6.202   7.170
  146    H    ASN  20           H        ASN  20   1.644   8.284   5.351
  147    HA   ASN  20           HA       ASN  20   0.025  10.423   6.173
  148   1HB   ASN  20          1HB       ASN  20   2.729   9.970   5.979
  149   2HB   ASN  20          2HB       ASN  20   2.463  11.187   4.723
  150   1HD2  ASN  20          1HD2      ASN  20   1.825  10.496   8.125
  151   2HD2  ASN  20          2HD2      ASN  20   1.860  12.141   8.650
  152    H    LEU  21           H        LEU  21   0.537   9.061   3.087
  153    HA   LEU  21           HA       LEU  21  -0.351  11.475   1.694
  154   1HB   LEU  21          1HB       LEU  21   1.161   9.075   0.986
  155   2HB   LEU  21          2HB       LEU  21  -0.084   9.498  -0.203
  156    HG   LEU  21           HG       LEU  21   0.925  11.576  -0.677
  157   1HD1  LEU  21          1HD1      LEU  21   1.398  12.271   1.607
  158   2HD1  LEU  21          2HD1      LEU  21   2.817  12.474   0.581
  159   3HD1  LEU  21          3HD1      LEU  21   2.726  11.112   1.697
  160   1HD2  LEU  21          1HD2      LEU  21   2.363   9.158  -0.904
  161   2HD2  LEU  21          2HD2      LEU  21   3.527  10.419  -0.495
  162   3HD2  LEU  21          3HD2      LEU  21   2.489  10.601  -1.910
  163    HA   PRO  22           HA       PRO  22  -4.503  10.178   1.117
  164   1HB   PRO  22          1HB       PRO  22  -5.017  10.974  -1.453
  165   2HB   PRO  22          2HB       PRO  22  -4.832  12.095  -0.105
  166   1HG   PRO  22          1HG       PRO  22  -2.820  11.240  -2.160
  167   2HG   PRO  22          2HG       PRO  22  -3.191  12.895  -1.547
  168   1HD   PRO  22          1HD       PRO  22  -1.043  11.466  -0.701
  169   2HD   PRO  22          2HD       PRO  22  -1.929  12.580   0.355
  170    H    LEU  23           H        LEU  23  -5.913   8.705  -0.000
  171    HA   LEU  23           HA       LEU  23  -4.679   6.279  -0.725
  172   1HB   LEU  23          1HB       LEU  23  -7.428   7.339  -0.566
  173   2HB   LEU  23          2HB       LEU  23  -7.190   5.999  -1.701
  174    HG   LEU  23           HG       LEU  23  -6.204   5.731   1.107
  175   1HD1  LEU  23          1HD1      LEU  23  -8.801   6.455   0.661
  176   2HD1  LEU  23          2HD1      LEU  23  -8.223   5.526   2.044
  177   3HD1  LEU  23          3HD1      LEU  23  -8.894   4.693   0.642
  178   1HD2  LEU  23          1HD2      LEU  23  -6.547   3.404   0.710
  179   2HD2  LEU  23          2HD2      LEU  23  -5.691   4.064  -0.685
  180   3HD2  LEU  23          3HD2      LEU  23  -7.420   3.730  -0.788
  181    H    TRP  24           H        TRP  24  -5.478   9.074  -2.543
  182    HA   TRP  24           HA       TRP  24  -5.930   8.056  -5.085
  183   1HB   TRP  24          1HB       TRP  24  -5.031  10.609  -3.938
  184   2HB   TRP  24          2HB       TRP  24  -4.439  10.319  -5.574
  185    HD1  TRP  24           HD1      TRP  24  -7.772  10.642  -3.665
  186    HE1  TRP  24           HE1      TRP  24  -9.601  11.318  -5.346
  187    HE3  TRP  24           HE3      TRP  24  -5.056  10.337  -7.986
  188    HZ2  TRP  24           HZ2      TRP  24  -9.857  11.673  -8.135
  189    HZ3  TRP  24           HZ3      TRP  24  -6.166  10.861 -10.117
  190    HH2  TRP  24           HH2      TRP  24  -8.519  11.515 -10.188
  191    H    LYS  25           H        LYS  25  -2.827   8.910  -3.567
  192    HA   LYS  25           HA       LYS  25  -1.265   8.022  -5.782
  193   1HB   LYS  25          1HB       LYS  25  -0.579   9.724  -4.033
  194   2HB   LYS  25          2HB       LYS  25  -0.320   8.360  -2.935
  195   1HG   LYS  25          1HG       LYS  25   1.012   8.262  -5.592
  196   2HG   LYS  25          2HG       LYS  25   1.640   9.393  -4.379
  197   1HD   LYS  25          1HD       LYS  25   1.351   7.171  -2.858
  198   2HD   LYS  25          2HD       LYS  25   1.706   6.444  -4.435
  199   1HE   LYS  25          1HE       LYS  25   3.394   8.702  -3.393
  200   2HE   LYS  25          2HE       LYS  25   3.665   7.043  -2.839
  201   1HZ   LYS  25          1HZ       LYS  25   4.272   6.344  -4.946
  202   2HZ   LYS  25          2HZ       LYS  25   4.968   7.883  -4.859
  203   3HZ   LYS  25          3HZ       LYS  25   3.532   7.652  -5.723
  204    H    GLN  26           H        GLN  26  -2.686   6.475  -3.048
  205    HA   GLN  26           HA       GLN  26  -0.957   4.208  -2.966
  206   1HB   GLN  26          1HB       GLN  26  -2.803   5.207  -1.267
  207   2HB   GLN  26          2HB       GLN  26  -3.745   3.910  -2.019
  208   1HG   GLN  26          1HG       GLN  26  -2.532   2.259  -1.063
  209   2HG   GLN  26          2HG       GLN  26  -1.032   3.196  -1.107
  210   1HE2  GLN  26          1HE2      GLN  26  -4.089   2.818   0.585
  211   2HE2  GLN  26          2HE2      GLN  26  -3.546   3.463   2.093
  212    H    GLN  27           H        GLN  27  -3.707   5.113  -4.859
  213    HA   GLN  27           HA       GLN  27  -4.636   2.595  -5.655
  214   1HB   GLN  27          1HB       GLN  27  -4.713   5.335  -6.874
  215   2HB   GLN  27          2HB       GLN  27  -5.287   3.941  -7.802
  216   1HG   GLN  27          1HG       GLN  27  -6.323   4.253  -5.039
  217   2HG   GLN  27          2HG       GLN  27  -6.889   5.396  -6.265
  218   1HE2  GLN  27          1HE2      GLN  27  -8.966   4.653  -6.349
  219   2HE2  GLN  27          2HE2      GLN  27  -9.396   3.102  -6.978
  220    H    ASN  28           H        ASN  28  -2.076   4.645  -6.979
  221    HA   ASN  28           HA       ASN  28  -1.513   3.066  -9.245
  222   1HB   ASN  28          1HB       ASN  28  -0.763   5.428  -8.903
  223   2HB   ASN  28          2HB       ASN  28   0.413   4.835  -7.724
  224   1HD2  ASN  28          1HD2      ASN  28   1.516   6.177  -9.640
  225   2HD2  ASN  28          2HD2      ASN  28   2.275   5.168 -10.819
  226    H    LEU  29           H        LEU  29  -0.151   3.086  -5.974
  227    HA   LEU  29           HA       LEU  29   1.902   1.257  -6.318
  228   1HB   LEU  29          1HB       LEU  29   0.722   2.590  -4.188
  229   2HB   LEU  29          2HB       LEU  29   0.493   0.874  -3.808
  230    HG   LEU  29           HG       LEU  29   3.136   2.231  -4.339
  231   1HD1  LEU  29          1HD1      LEU  29   2.497   2.930  -2.218
  232   2HD1  LEU  29          2HD1      LEU  29   3.459   1.488  -1.894
  233   3HD1  LEU  29          3HD1      LEU  29   1.698   1.403  -1.846
  234   1HD2  LEU  29          1HD2      LEU  29   2.709  -0.564  -3.329
  235   2HD2  LEU  29          2HD2      LEU  29   4.189   0.175  -3.941
  236   3HD2  LEU  29          3HD2      LEU  29   2.868  -0.205  -5.048
  237    H    LYS  30           H        LYS  30  -1.517   0.665  -5.602
  238    HA   LYS  30           HA       LYS  30  -1.379  -2.106  -5.265
  239   1HB   LYS  30          1HB       LYS  30  -3.359  -0.869  -4.645
  240   2HB   LYS  30          2HB       LYS  30  -3.623  -0.384  -6.328
  241   1HG   LYS  30          1HG       LYS  30  -4.611  -2.320  -6.881
  242   2HG   LYS  30          2HG       LYS  30  -3.488  -3.281  -5.903
  243   1HD   LYS  30          1HD       LYS  30  -5.293  -3.603  -4.586
  244   2HD   LYS  30          2HD       LYS  30  -4.862  -2.005  -3.954
  245   1HE   LYS  30          1HE       LYS  30  -6.715  -2.343  -6.309
  246   2HE   LYS  30          2HE       LYS  30  -7.293  -2.379  -4.638
  247   1HZ   LYS  30          1HZ       LYS  30  -7.382  -0.180  -4.735
  248   2HZ   LYS  30          2HZ       LYS  30  -6.605  -0.140  -6.237
  249   3HZ   LYS  30          3HZ       LYS  30  -5.691  -0.145  -4.815
  250    H    LYS  31           H        LYS  31  -1.529  -0.140  -8.164
  251    HA   LYS  31           HA       LYS  31  -1.975  -2.366  -9.927
  252   1HB   LYS  31          1HB       LYS  31  -2.708  -0.017 -10.406
  253   2HB   LYS  31          2HB       LYS  31  -1.001   0.408 -10.626
  254   1HG   LYS  31          1HG       LYS  31  -1.914  -1.899 -12.209
  255   2HG   LYS  31          2HG       LYS  31  -2.662  -0.345 -12.622
  256   1HD   LYS  31          1HD       LYS  31  -0.729   0.545 -13.415
  257   2HD   LYS  31          2HD       LYS  31   0.268  -0.320 -12.232
  258   1HE   LYS  31          1HE       LYS  31  -0.073  -2.419 -13.505
  259   2HE   LYS  31          2HE       LYS  31  -0.994  -1.501 -14.705
  260   1HZ   LYS  31          1HZ       LYS  31   1.744  -0.663 -14.027
  261   2HZ   LYS  31          2HZ       LYS  31   0.878  -0.424 -15.459
  262   3HZ   LYS  31          3HZ       LYS  31   1.504  -1.953 -15.095
  263    H    GLU  32           H        GLU  32   0.773  -0.705  -8.599
  264    HA   GLU  32           HA       GLU  32   2.706  -1.570 -10.480
  265   1HB   GLU  32          1HB       GLU  32   3.150   0.303  -9.002
  266   2HB   GLU  32          2HB       GLU  32   3.007  -0.751  -7.586
  267   1HG   GLU  32          1HG       GLU  32   5.186  -1.111  -7.671
  268   2HG   GLU  32          2HG       GLU  32   4.949  -1.930  -9.221
  269    HE2  GLU  32           HE2      GLU  32   5.935   0.961 -10.993
  270    H    LYS  33           H        LYS  33   1.547  -2.905  -7.417
  271    HA   LYS  33           HA       LYS  33   2.063  -5.569  -8.153
  272   1HB   LYS  33          1HB       LYS  33   4.406  -4.970  -7.884
  273   2HB   LYS  33          2HB       LYS  33   4.077  -4.346  -6.260
  274   1HG   LYS  33          1HG       LYS  33   4.187  -6.370  -5.322
  275   2HG   LYS  33          2HG       LYS  33   3.234  -7.113  -6.618
  276   1HD   LYS  33          1HD       LYS  33   5.080  -7.609  -7.899
  277   2HD   LYS  33          2HD       LYS  33   6.036  -6.286  -7.209
  278   1HE   LYS  33          1HE       LYS  33   5.605  -7.848  -5.006
  279   2HE   LYS  33          2HE       LYS  33   5.712  -9.055  -6.295
  280   1HZ   LYS  33          1HZ       LYS  33   7.853  -8.269  -6.906
  281   2HZ   LYS  33          2HZ       LYS  33   7.867  -8.487  -5.229
  282   3HZ   LYS  33          3HZ       LYS  33   7.740  -6.931  -5.877
  283    H    LEU  34           H        LEU  34   0.130  -6.129  -7.296
  284    HA   LEU  34           HA       LEU  34  -0.059  -6.548  -4.498
  285   1HB   LEU  34          1HB       LEU  34  -0.716  -3.993  -5.185
  286   2HB   LEU  34          2HB       LEU  34  -2.288  -4.806  -5.282
  287    HG   LEU  34           HG       LEU  34  -2.030  -3.796  -3.110
  288   1HD1  LEU  34          1HD1      LEU  34  -2.873  -5.536  -1.939
  289   2HD1  LEU  34          2HD1      LEU  34  -1.567  -6.627  -2.402
  290   3HD1  LEU  34          3HD1      LEU  34  -2.880  -6.294  -3.531
  291   1HD2  LEU  34          1HD2      LEU  34   0.461  -5.477  -2.840
  292   2HD2  LEU  34          2HD2      LEU  34  -0.253  -4.472  -1.578
  293   3HD2  LEU  34          3HD2      LEU  34   0.410  -3.723  -3.032
  294    H    LEU  35           H        LEU  35  -2.308  -5.861  -7.186
  295    HA   LEU  35           HA       LEU  35  -4.234  -7.739  -6.576
  296   1HB   LEU  35          1HB       LEU  35  -3.731  -5.969  -8.654
  297   2HB   LEU  35          2HB       LEU  35  -3.771  -7.558  -9.436
  298    HG   LEU  35           HG       LEU  35  -6.018  -7.565  -7.815
  299   1HD1  LEU  35          1HD1      LEU  35  -7.050  -5.367  -8.888
  300   2HD1  LEU  35          2HD1      LEU  35  -5.383  -4.818  -8.726
  301   3HD1  LEU  35          3HD1      LEU  35  -6.271  -5.367  -7.305
  302   1HD2  LEU  35          1HD2      LEU  35  -6.184  -6.667 -10.653
  303   2HD2  LEU  35          2HD2      LEU  35  -7.152  -7.863  -9.790
  304   3HD2  LEU  35          3HD2      LEU  35  -5.506  -8.254 -10.288
  305    H    PHE  36           H        PHE  36  -4.586  -9.879  -7.053
  306    HA   PHE  36           HA       PHE  36  -2.316 -11.555  -7.243
  307   1HB   PHE  36          1HB       PHE  36  -5.208 -11.869  -6.926
  308   2HB   PHE  36          2HB       PHE  36  -4.482 -13.158  -7.888
  309    HD1  PHE  36           HD2      PHE  36  -4.615 -11.610  -4.584
  310    HD2  PHE  36           HD1      PHE  36  -2.892 -14.709  -6.938
  311    HE1  PHE  36           HE2      PHE  36  -3.837 -12.729  -2.535
  312    HE2  PHE  36           HE1      PHE  36  -2.112 -15.834  -4.893
  313    HZ   PHE  36           HZ       PHE  36  -2.583 -14.844  -2.688
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1  -9.204 -11.883   3.988
    2   2H    MET   1          2H        MET   1  -8.748 -10.382   4.517
    3   3H    MET   1          3H        MET   1  -8.439 -10.838   2.956
    4    HA   MET   1           HA       MET   1  -7.293 -12.021   5.352
    5   1HB   MET   1          1HB       MET   1  -7.736 -13.479   3.263
    6   2HB   MET   1          2HB       MET   1  -6.429 -12.544   2.521
    7   1HG   MET   1          1HG       MET   1  -4.808 -13.513   3.778
    8   2HG   MET   1          2HG       MET   1  -5.871 -13.717   5.172
    9   1HE   MET   1          1HE       MET   1  -8.423 -15.716   3.579
   10   2HE   MET   1          2HE       MET   1  -7.731 -16.849   4.738
   11   3HE   MET   1          3HE       MET   1  -7.865 -15.138   5.148
   12    H    LEU   2           H        LEU   2  -6.823  -9.728   5.872
   13    HA   LEU   2           HA       LEU   2  -4.185  -9.049   4.966
   14   1HB   LEU   2          1HB       LEU   2  -5.269  -7.977   3.174
   15   2HB   LEU   2          2HB       LEU   2  -6.553  -7.359   4.229
   16    HG   LEU   2           HG       LEU   2  -3.985  -6.320   5.037
   17   1HD1  LEU   2          1HD1      LEU   2  -3.431  -6.681   2.662
   18   2HD1  LEU   2          2HD1      LEU   2  -3.487  -4.974   3.098
   19   3HD1  LEU   2          3HD1      LEU   2  -4.826  -5.700   2.209
   20   1HD2  LEU   2          1HD2      LEU   2  -5.289  -4.165   4.446
   21   2HD2  LEU   2          2HD2      LEU   2  -5.858  -5.172   5.777
   22   3HD2  LEU   2          3HD2      LEU   2  -6.655  -5.254   4.205
   23    H    SER   3           H        SER   3  -3.221  -8.683   6.845
   24    HA   SER   3           HA       SER   3  -4.716  -7.351   8.989
   25   1HB   SER   3          1HB       SER   3  -3.183  -9.624   9.058
   26   2HB   SER   3          2HB       SER   3  -2.035  -8.395   9.615
   27    HG   SER   3           HG       SER   3  -3.443  -7.846  11.261
   28    H    ASP   4           H        ASP   4  -3.511  -5.805  10.354
   29    HA   ASP   4           HA       ASP   4  -2.508  -3.670   8.864
   30   1HB   ASP   4          1HB       ASP   4  -1.859  -4.115  11.779
   31   2HB   ASP   4          2HB       ASP   4  -2.092  -2.582  10.928
   32    HD2  ASP   4           HD2      ASP   4  -5.654  -3.645  10.796
   33    H    GLU   5           H        GLU   5  -0.835  -6.253  10.587
   34    HA   GLU   5           HA       GLU   5   1.777  -5.180  10.227
   35   1HB   GLU   5          1HB       GLU   5   0.676  -7.856  11.026
   36   2HB   GLU   5          2HB       GLU   5   2.403  -7.672  10.683
   37   1HG   GLU   5          1HG       GLU   5   1.141  -5.741  12.561
   38   2HG   GLU   5          2HG       GLU   5   1.424  -7.396  13.118
   39    HE2  GLU   5           HE2      GLU   5   4.826  -6.899  13.351
   40    H    ASP   6           H        ASP   6  -0.242  -7.412   8.406
   41    HA   ASP   6           HA       ASP   6   1.784  -8.214   6.574
   42   1HB   ASP   6          1HB       ASP   6  -0.295  -9.517   7.032
   43   2HB   ASP   6          2HB       ASP   6  -1.214  -8.265   6.184
   44    HD2  ASP   6           HD2      ASP   6  -0.709 -10.116   3.345
   45    H    PHE   7           H        PHE   7  -0.337  -5.489   6.796
   46    HA   PHE   7           HA       PHE   7  -0.442  -4.673   4.130
   47   1HB   PHE   7          1HB       PHE   7  -1.780  -3.697   5.991
   48   2HB   PHE   7          2HB       PHE   7  -0.322  -2.890   6.571
   49    HD1  PHE   7           HD2      PHE   7   0.803  -1.182   5.122
   50    HD2  PHE   7           HD1      PHE   7  -3.054  -2.752   4.244
   51    HE1  PHE   7           HE2      PHE   7   0.368   0.730   3.634
   52    HE2  PHE   7           HE1      PHE   7  -3.496  -0.844   2.754
   53    HZ   PHE   7           HZ       PHE   7  -1.785   0.901   2.449
   54    H    LYS   8           H        LYS   8   1.939  -3.920   6.649
   55    HA   LYS   8           HA       LYS   8   3.540  -2.251   4.994
   56   1HB   LYS   8          1HB       LYS   8   3.535  -2.171   7.480
   57   2HB   LYS   8          2HB       LYS   8   4.345  -3.746   7.496
   58   1HG   LYS   8          1HG       LYS   8   6.348  -2.898   6.756
   59   2HG   LYS   8          2HG       LYS   8   5.580  -1.510   5.965
   60   1HD   LYS   8          1HD       LYS   8   6.795  -0.760   7.926
   61   2HD   LYS   8          2HD       LYS   8   5.051  -0.565   8.184
   62   1HE   LYS   8          1HE       LYS   8   5.905  -3.185   9.054
   63   2HE   LYS   8          2HE       LYS   8   6.877  -1.920   9.822
   64   1HZ   LYS   8          1HZ       LYS   8   5.023  -0.976  10.810
   65   2HZ   LYS   8          2HZ       LYS   8   4.703  -2.632  10.938
   66   3HZ   LYS   8          3HZ       LYS   8   3.934  -1.712   9.744
   67    H    ALA   9           H        ALA   9   3.242  -5.653   5.356
   68    HA   ALA   9           HA       ALA   9   5.853  -6.376   4.458
   69   1HB   ALA   9          1HB       ALA   9   3.305  -7.992   4.440
   70   2HB   ALA   9          2HB       ALA   9   4.939  -8.623   4.231
   71   3HB   ALA   9          3HB       ALA   9   4.462  -7.904   5.769
   72    H    VAL  10           H        VAL  10   2.699  -6.030   2.876
   73    HA   VAL  10           HA       VAL  10   3.724  -6.786   0.295
   74    HB   VAL  10           HB       VAL  10   1.081  -5.684   1.219
   75   1HG1  VAL  10          1HG1      VAL  10   1.968  -6.236  -1.608
   76   2HG1  VAL  10          2HG1      VAL  10   0.290  -6.006  -1.115
   77   3HG1  VAL  10          3HG1      VAL  10   1.451  -4.691  -0.937
   78   1HG2  VAL  10          1HG2      VAL  10   1.626  -8.268  -0.207
   79   2HG2  VAL  10          2HG2      VAL  10   1.800  -8.122   1.541
   80   3HG2  VAL  10          3HG2      VAL  10   0.236  -7.824   0.783
   81    H    PHE  11           H        PHE  11   2.935  -3.782   1.962
   82    HA   PHE  11           HA       PHE  11   3.137  -2.023  -0.199
   83   1HB   PHE  11          1HB       PHE  11   2.999  -1.846   2.683
   84   2HB   PHE  11          2HB       PHE  11   4.153  -0.670   2.052
   85    HD1  PHE  11           HD1      PHE  11   1.040  -1.886   0.442
   86    HD2  PHE  11           HD2      PHE  11   3.055   1.367   2.306
   87    HE1  PHE  11           HE1      PHE  11  -0.804  -0.386  -0.191
   88    HE2  PHE  11           HE2      PHE  11   1.214   2.872   1.677
   89    HZ   PHE  11           HZ       PHE  11  -0.719   1.996   0.427
   90    H    GLY  12           H        GLY  12   5.618  -3.296   1.979
   91   1HA   GLY  12          1HA       GLY  12   7.859  -3.677   1.374
   92   2HA   GLY  12          2HA       GLY  12   7.644  -2.613  -0.007
   93    H    MET  13           H        MET  13   6.409  -0.521   1.699
   94    HA   MET  13           HA       MET  13   8.857   0.404   3.057
   95   1HB   MET  13          1HB       MET  13   8.239   1.577   0.888
   96   2HB   MET  13          2HB       MET  13   6.821   2.201   1.744
   97   1HG   MET  13          1HG       MET  13   8.015   3.683   2.964
   98   2HG   MET  13          2HG       MET  13   9.411   2.610   3.083
   99   1HE   MET  13          1HE       MET  13  11.120   2.252   0.682
  100   2HE   MET  13          2HE       MET  13  11.837   3.864   0.664
  101   3HE   MET  13          3HE       MET  13  11.439   3.092   2.199
  102    H    THR  14           H        THR  14   8.446   2.061   4.755
  103    HA   THR  14           HA       THR  14   6.827   1.122   6.771
  104    HB   THR  14           HB       THR  14   7.447   4.057   6.477
  105    HG1  THR  14           HG1      THR  14   9.247   2.273   7.699
  106   1HG2  THR  14          1HG2      THR  14   6.040   3.209   8.390
  107   2HG2  THR  14          2HG2      THR  14   7.508   4.066   8.859
  108   3HG2  THR  14          3HG2      THR  14   7.454   2.305   8.930
  109    H    ARG  15           H        ARG  15   4.708   0.727   6.470
  110    HA   ARG  15           HA       ARG  15   2.931   2.107   4.858
  111   1HB   ARG  15          1HB       ARG  15   1.209   0.903   5.884
  112   2HB   ARG  15          2HB       ARG  15   2.630  -0.132   6.085
  113   1HG   ARG  15          1HG       ARG  15   1.894  -0.265   8.209
  114   2HG   ARG  15          2HG       ARG  15   2.773   1.266   8.370
  115   1HD   ARG  15          1HD       ARG  15   0.514   1.401   9.339
  116   2HD   ARG  15          2HD       ARG  15   0.733   2.519   7.985
  117    HE   ARG  15           HE       ARG  15  -0.832   1.340   6.781
  118   1HH1  ARG  15          1HH1      ARG  15   0.081  -0.468   9.613
  119   2HH1  ARG  15          2HH1      ARG  15  -1.181  -1.642   9.430
  120   1HH2  ARG  15          1HH2      ARG  15  -2.498  -0.199   6.530
  121   2HH2  ARG  15          2HH2      ARG  15  -2.646  -1.488   7.675
  122    H    SER  16           H        SER  16   4.118   2.898   8.021
  123    HA   SER  16           HA       SER  16   2.086   4.727   8.767
  124   1HB   SER  16          1HB       SER  16   4.272   3.624  10.022
  125   2HB   SER  16          2HB       SER  16   4.778   5.307   9.793
  126    HG   SER  16           HG       SER  16   2.440   4.382  11.105
  127    H    ALA  17           H        ALA  17   5.239   5.141   7.194
  128    HA   ALA  17           HA       ALA  17   5.016   7.975   6.965
  129   1HB   ALA  17          1HB       ALA  17   7.177   6.792   6.981
  130   2HB   ALA  17          2HB       ALA  17   6.786   6.094   5.409
  131   3HB   ALA  17          3HB       ALA  17   6.989   7.838   5.573
  132    H    PHE  18           H        PHE  18   4.166   5.253   4.920
  133    HA   PHE  18           HA       PHE  18   3.629   6.839   2.596
  134   1HB   PHE  18          1HB       PHE  18   3.542   4.008   3.343
  135   2HB   PHE  18          2HB       PHE  18   2.225   4.479   2.267
  136    HD1  PHE  18           HD2      PHE  18   5.671   5.842   2.328
  137    HD2  PHE  18           HD1      PHE  18   2.813   3.472   0.247
  138    HE1  PHE  18           HE2      PHE  18   7.184   5.725   0.391
  139    HE2  PHE  18           HE1      PHE  18   4.320   3.350  -1.693
  140    HZ   PHE  18           HZ       PHE  18   6.508   4.478  -1.623
  141    H    ALA  19           H        ALA  19   1.743   5.571   5.274
  142    HA   ALA  19           HA       ALA  19  -0.829   6.004   4.288
  143   1HB   ALA  19          1HB       ALA  19  -0.403   4.744   6.322
  144   2HB   ALA  19          2HB       ALA  19   0.144   6.211   7.135
  145   3HB   ALA  19          3HB       ALA  19  -1.541   6.056   6.633
  146    H    ASN  20           H        ASN  20   1.577   8.253   5.249
  147    HA   ASN  20           HA       ASN  20  -0.002  10.419   6.070
  148   1HB   ASN  20          1HB       ASN  20   2.747  10.152   4.892
  149   2HB   ASN  20          2HB       ASN  20   2.037  11.758   5.101
  150   1HD2  ASN  20          1HD2      ASN  20   1.776   8.870   7.125
  151   2HD2  ASN  20          2HD2      ASN  20   2.443   9.592   8.545
  152    H    LEU  21           H        LEU  21   0.407   8.993   2.995
  153    HA   LEU  21           HA       LEU  21  -0.578  11.382   1.611
  154   1HB   LEU  21          1HB       LEU  21   1.046   9.065   0.871
  155   2HB   LEU  21          2HB       LEU  21  -0.231   9.435  -0.301
  156    HG   LEU  21           HG       LEU  21   0.672  11.554  -0.783
  157   1HD1  LEU  21          1HD1      LEU  21   2.535  12.539   0.475
  158   2HD1  LEU  21          2HD1      LEU  21   2.470  11.191   1.610
  159   3HD1  LEU  21          3HD1      LEU  21   1.106  12.302   1.482
  160   1HD2  LEU  21          1HD2      LEU  21   2.280   9.218  -0.955
  161   2HD2  LEU  21          2HD2      LEU  21   3.335  10.596  -0.636
  162   3HD2  LEU  21          3HD2      LEU  21   2.249  10.618  -2.027
  163    HA   PRO  22           HA       PRO  22  -4.660   9.866   1.075
  164   1HB   PRO  22          1HB       PRO  22  -5.246  10.630  -1.489
  165   2HB   PRO  22          2HB       PRO  22  -5.105  11.762  -0.144
  166   1HG   PRO  22          1HG       PRO  22  -3.074  11.012  -2.220
  167   2HG   PRO  22          2HG       PRO  22  -3.525  12.646  -1.604
  168   1HD   PRO  22          1HD       PRO  22  -1.295  11.334  -0.782
  169   2HD   PRO  22          2HD       PRO  22  -2.226  12.399   0.284
  170    H    LEU  23           H        LEU  23  -5.999   8.310  -0.011
  171    HA   LEU  23           HA       LEU  23  -4.642   5.958  -0.758
  172   1HB   LEU  23          1HB       LEU  23  -7.405   6.843  -0.423
  173   2HB   LEU  23          2HB       LEU  23  -7.208   5.653  -1.721
  174    HG   LEU  23           HG       LEU  23  -5.939   5.006   0.876
  175   1HD1  LEU  23          1HD1      LEU  23  -8.117   4.104   1.706
  176   2HD1  LEU  23          2HD1      LEU  23  -8.919   5.048   0.451
  177   3HD1  LEU  23          3HD1      LEU  23  -7.997   5.864   1.714
  178   1HD2  LEU  23          1HD2      LEU  23  -7.160   3.618  -1.444
  179   2HD2  LEU  23          2HD2      LEU  23  -7.236   2.812   0.124
  180   3HD2  LEU  23          3HD2      LEU  23  -5.674   3.264  -0.563
  181    H    TRP  24           H        TRP  24  -5.590   8.708  -2.557
  182    HA   TRP  24           HA       TRP  24  -6.054   7.680  -5.092
  183   1HB   TRP  24          1HB       TRP  24  -5.138  10.264  -3.979
  184   2HB   TRP  24          2HB       TRP  24  -4.713   9.978  -5.668
  185    HD1  TRP  24           HD1      TRP  24  -7.720  10.648  -3.437
  186    HE1  TRP  24           HE1      TRP  24  -9.770  11.125  -4.918
  187    HE3  TRP  24           HE3      TRP  24  -5.739   9.417  -7.986
  188    HZ2  TRP  24           HZ2      TRP  24 -10.457  10.996  -7.653
  189    HZ3  TRP  24           HZ3      TRP  24  -7.159   9.621  -9.985
  190    HH2  TRP  24           HH2      TRP  24  -9.469  10.394  -9.820
  191    H    LYS  25           H        LYS  25  -2.985   8.417  -3.494
  192    HA   LYS  25           HA       LYS  25  -1.375   7.767  -5.760
  193   1HB   LYS  25          1HB       LYS  25  -0.817   9.229  -3.675
  194   2HB   LYS  25          2HB       LYS  25  -0.366   7.684  -2.935
  195   1HG   LYS  25          1HG       LYS  25   0.761   8.414  -5.607
  196   2HG   LYS  25          2HG       LYS  25   1.428   9.145  -4.136
  197   1HD   LYS  25          1HD       LYS  25   1.072   6.290  -3.802
  198   2HD   LYS  25          2HD       LYS  25   2.072   6.654  -5.219
  199   1HE   LYS  25          1HE       LYS  25   3.572   8.012  -3.872
  200   2HE   LYS  25          2HE       LYS  25   2.538   7.773  -2.457
  201   1HZ   LYS  25          1HZ       LYS  25   4.594   6.317  -2.676
  202   2HZ   LYS  25          2HZ       LYS  25   3.745   5.479  -3.875
  203   3HZ   LYS  25          3HZ       LYS  25   3.138   5.543  -2.297
  204    H    GLN  26           H        GLN  26  -2.834   5.958  -3.202
  205    HA   GLN  26           HA       GLN  26  -1.133   3.693  -3.269
  206   1HB   GLN  26          1HB       GLN  26  -2.997   4.451  -1.556
  207   2HB   GLN  26          2HB       GLN  26  -4.025   3.431  -2.574
  208   1HG   GLN  26          1HG       GLN  26  -2.753   1.493  -2.111
  209   2HG   GLN  26          2HG       GLN  26  -1.455   2.444  -1.378
  210   1HE2  GLN  26          1HE2      GLN  26  -2.434   3.964   0.436
  211   2HE2  GLN  26          2HE2      GLN  26  -3.385   3.122   1.607
  212    H    GLN  27           H        GLN  27  -3.730   4.779  -5.278
  213    HA   GLN  27           HA       GLN  27  -4.559   2.355  -6.403
  214   1HB   GLN  27          1HB       GLN  27  -4.698   5.218  -7.147
  215   2HB   GLN  27          2HB       GLN  27  -4.887   4.060  -8.473
  216   1HG   GLN  27          1HG       GLN  27  -6.621   2.919  -6.924
  217   2HG   GLN  27          2HG       GLN  27  -6.616   4.470  -6.073
  218   1HE2  GLN  27          1HE2      GLN  27  -8.085   2.738  -8.450
  219   2HE2  GLN  27          2HE2      GLN  27  -8.804   4.028  -9.346
  220    H    ASN  28           H        ASN  28  -1.766   4.357  -7.025
  221    HA   ASN  28           HA       ASN  28  -1.044   2.990  -9.456
  222   1HB   ASN  28          1HB       ASN  28  -0.456   5.358  -9.095
  223   2HB   ASN  28          2HB       ASN  28   0.569   4.886  -7.734
  224   1HD2  ASN  28          1HD2      ASN  28   2.199   6.034  -9.018
  225   2HD2  ASN  28          2HD2      ASN  28   3.064   5.153 -10.226
  226    H    LEU  29           H        LEU  29   0.072   3.007  -6.093
  227    HA   LEU  29           HA       LEU  29   2.255   1.316  -6.323
  228   1HB   LEU  29          1HB       LEU  29   0.856   2.524  -4.260
  229   2HB   LEU  29          2HB       LEU  29   0.680   0.790  -3.935
  230    HG   LEU  29           HG       LEU  29   3.189   2.436  -4.016
  231   1HD1  LEU  29          1HD1      LEU  29   2.107   0.488  -1.987
  232   2HD1  LEU  29          2HD1      LEU  29   1.921   2.240  -1.906
  233   3HD1  LEU  29          3HD1      LEU  29   3.528   1.519  -1.814
  234   1HD2  LEU  29          1HD2      LEU  29   4.066   0.683  -5.166
  235   2HD2  LEU  29          2HD2      LEU  29   2.838  -0.449  -4.599
  236   3HD2  LEU  29          3HD2      LEU  29   4.171   0.010  -3.538
  237    H    LYS  30           H        LYS  30  -1.172   0.537  -6.084
  238    HA   LYS  30           HA       LYS  30  -0.980  -2.214  -5.661
  239   1HB   LYS  30          1HB       LYS  30  -3.097  -1.123  -5.431
  240   2HB   LYS  30          2HB       LYS  30  -3.057  -0.576  -7.115
  241   1HG   LYS  30          1HG       LYS  30  -2.947  -3.505  -6.612
  242   2HG   LYS  30          2HG       LYS  30  -4.486  -2.665  -6.351
  243   1HD   LYS  30          1HD       LYS  30  -3.907  -1.609  -8.717
  244   2HD   LYS  30          2HD       LYS  30  -2.962  -3.100  -8.870
  245   1HE   LYS  30          1HE       LYS  30  -4.828  -4.467  -8.785
  246   2HE   LYS  30          2HE       LYS  30  -5.787  -3.259  -7.920
  247   1HZ   LYS  30          1HZ       LYS  30  -6.631  -3.318 -10.092
  248   2HZ   LYS  30          2HZ       LYS  30  -5.094  -3.305 -10.798
  249   3HZ   LYS  30          3HZ       LYS  30  -5.686  -1.915 -10.036
  250    H    LYS  31           H        LYS  31  -1.089  -0.384  -8.701
  251    HA   LYS  31           HA       LYS  31  -0.825  -2.742 -10.320
  252   1HB   LYS  31          1HB       LYS  31  -2.008  -0.656 -11.048
  253   2HB   LYS  31          2HB       LYS  31  -0.429   0.141 -11.134
  254   1HG   LYS  31          1HG       LYS  31   0.185  -0.935 -13.037
  255   2HG   LYS  31          2HG       LYS  31  -0.733  -2.394 -12.628
  256   1HD   LYS  31          1HD       LYS  31  -2.455  -1.733 -13.877
  257   2HD   LYS  31          2HD       LYS  31  -2.540  -0.199 -12.995
  258   1HE   LYS  31          1HE       LYS  31  -0.785   0.739 -14.447
  259   2HE   LYS  31          2HE       LYS  31  -0.722  -0.793 -15.329
  260   1HZ   LYS  31          1HZ       LYS  31  -3.043  -0.472 -15.964
  261   2HZ   LYS  31          2HZ       LYS  31  -2.076   0.808 -16.500
  262   3HZ   LYS  31          3HZ       LYS  31  -3.076   1.011 -15.150
  263    H    GLU  32           H        GLU  32   1.322  -0.473  -8.822
  264    HA   GLU  32           HA       GLU  32   3.594  -0.801 -10.430
  265   1HB   GLU  32          1HB       GLU  32   3.453   0.973  -8.786
  266   2HB   GLU  32          2HB       GLU  32   3.377  -0.213  -7.474
  267   1HG   GLU  32          1HG       GLU  32   5.588   0.779  -7.616
  268   2HG   GLU  32          2HG       GLU  32   5.639  -0.950  -7.988
  269    HE2  GLU  32           HE2      GLU  32   6.906   1.562 -10.682
  270    H    LYS  33           H        LYS  33   2.310  -2.723  -7.784
  271    HA   LYS  33           HA       LYS  33   4.198  -4.851  -8.485
  272   1HB   LYS  33          1HB       LYS  33   3.720  -3.724  -5.726
  273   2HB   LYS  33          2HB       LYS  33   4.378  -5.348  -5.984
  274   1HG   LYS  33          1HG       LYS  33   6.357  -4.540  -6.932
  275   2HG   LYS  33          2HG       LYS  33   5.657  -2.936  -7.219
  276   1HD   LYS  33          1HD       LYS  33   6.066  -2.222  -5.113
  277   2HD   LYS  33          2HD       LYS  33   5.690  -3.802  -4.405
  278   1HE   LYS  33          1HE       LYS  33   7.966  -4.446  -5.681
  279   2HE   LYS  33          2HE       LYS  33   8.268  -2.727  -5.386
  280   1HZ   LYS  33          1HZ       LYS  33   8.668  -3.129  -3.256
  281   2HZ   LYS  33          2HZ       LYS  33   8.623  -4.784  -3.602
  282   3HZ   LYS  33          3HZ       LYS  33   7.227  -3.993  -3.062
  283    H    LEU  34           H        LEU  34   1.767  -4.420  -5.921
  284    HA   LEU  34           HA       LEU  34  -0.292  -5.870  -7.134
  285   1HB   LEU  34          1HB       LEU  34  -0.114  -7.970  -5.743
  286   2HB   LEU  34          2HB       LEU  34   1.031  -7.814  -7.087
  287    HG   LEU  34           HG       LEU  34   2.390  -6.773  -4.891
  288   1HD1  LEU  34          1HD1      LEU  34   0.533  -7.842  -3.536
  289   2HD1  LEU  34          2HD1      LEU  34   2.182  -8.310  -3.123
  290   3HD1  LEU  34          3HD1      LEU  34   1.170  -9.396  -4.076
  291   1HD2  LEU  34          1HD2      LEU  34   2.516  -9.533  -6.106
  292   2HD2  LEU  34          2HD2      LEU  34   3.781  -8.765  -5.145
  293   3HD2  LEU  34          3HD2      LEU  34   3.335  -8.094  -6.715
  294    H    LEU  35           H        LEU  35  -1.943  -6.631  -5.482
  295    HA   LEU  35           HA       LEU  35  -1.758  -5.625  -2.814
  296   1HB   LEU  35          1HB       LEU  35  -2.282  -3.661  -4.557
  297   2HB   LEU  35          2HB       LEU  35  -3.928  -4.271  -4.309
  298    HG   LEU  35           HG       LEU  35  -3.565  -2.417  -2.837
  299   1HD1  LEU  35          1HD1      LEU  35  -4.362  -3.352  -0.901
  300   2HD1  LEU  35          2HD1      LEU  35  -3.255  -4.722  -0.974
  301   3HD1  LEU  35          3HD1      LEU  35  -4.655  -4.663  -2.045
  302   1HD2  LEU  35          1HD2      LEU  35  -1.263  -2.191  -2.612
  303   2HD2  LEU  35          2HD2      LEU  35  -1.043  -3.875  -2.135
  304   3HD2  LEU  35          3HD2      LEU  35  -1.771  -2.728  -1.011
  305    H    PHE  36           H        PHE  36  -2.760  -7.184  -1.742
  306    HA   PHE  36           HA       PHE  36  -4.640  -8.949  -2.892
  307   1HB   PHE  36          1HB       PHE  36  -3.327  -8.587  -0.313
  308   2HB   PHE  36          2HB       PHE  36  -4.997  -9.131  -0.138
  309    HD1  PHE  36           HD2      PHE  36  -1.794  -9.957  -1.805
  310    HD2  PHE  36           HD1      PHE  36  -5.600 -11.356  -0.512
  311    HE1  PHE  36           HE2      PHE  36  -1.115 -12.266  -2.318
  312    HE2  PHE  36           HE1      PHE  36  -4.927 -13.668  -1.021
  313    HZ   PHE  36           HZ       PHE  36  -2.683 -14.124  -1.926
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1  -9.065 -10.489   3.010
    2   2H    MET   1          2H        MET   1  -8.089  -9.166   3.200
    3   3H    MET   1          3H        MET   1  -7.649 -10.376   2.160
    4    HA   MET   1           HA       MET   1  -7.898 -10.595   5.049
    5   1HB   MET   1          1HB       MET   1  -6.760 -12.626   3.126
    6   2HB   MET   1          2HB       MET   1  -7.145 -12.844   4.840
    7   1HG   MET   1          1HG       MET   1  -9.524 -12.656   4.369
    8   2HG   MET   1          2HG       MET   1  -9.167 -12.367   2.664
    9   1HE   MET   1          1HE       MET   1  -8.706 -13.694   1.072
   10   2HE   MET   1          2HE       MET   1  -7.603 -15.056   1.258
   11   3HE   MET   1          3HE       MET   1  -9.327 -15.344   1.017
   12    H    LEU   2           H        LEU   2  -6.421  -9.048   5.618
   13    HA   LEU   2           HA       LEU   2  -3.655  -9.711   5.243
   14   1HB   LEU   2          1HB       LEU   2  -4.260  -8.431   3.168
   15   2HB   LEU   2          2HB       LEU   2  -4.599  -7.042   4.214
   16    HG   LEU   2           HG       LEU   2  -2.066  -7.619   4.973
   17   1HD1  LEU   2          1HD1      LEU   2  -2.038  -8.078   2.006
   18   2HD1  LEU   2          2HD1      LEU   2  -2.059  -9.408   3.163
   19   3HD1  LEU   2          3HD1      LEU   2  -0.720  -8.261   3.163
   20   1HD2  LEU   2          1HD2      LEU   2  -2.588  -5.416   4.480
   21   2HD2  LEU   2          2HD2      LEU   2  -3.190  -5.810   2.870
   22   3HD2  LEU   2          3HD2      LEU   2  -1.457  -5.840   3.195
   23    H    SER   3           H        SER   3  -3.035  -9.596   7.297
   24    HA   SER   3           HA       SER   3  -4.230  -8.007   9.277
   25   1HB   SER   3          1HB       SER   3  -2.231 -10.000   9.159
   26   2HB   SER   3          2HB       SER   3  -1.487  -8.594   9.942
   27    HG   SER   3           HG       SER   3  -3.852  -9.949  10.720
   28    H    ASP   4           H        ASP   4  -3.149  -6.306  10.559
   29    HA   ASP   4           HA       ASP   4  -2.468  -4.100   8.969
   30   1HB   ASP   4          1HB       ASP   4  -1.693  -3.107  11.211
   31   2HB   ASP   4          2HB       ASP   4  -3.387  -3.599  11.073
   32    HD2  ASP   4           HD2      ASP   4  -2.970  -6.205  13.345
   33    H    GLU   5           H        GLU   5  -0.470  -6.403  10.744
   34    HA   GLU   5           HA       GLU   5   1.987  -5.035  10.305
   35   1HB   GLU   5          1HB       GLU   5   1.203  -7.764  11.254
   36   2HB   GLU   5          2HB       GLU   5   2.887  -7.457  10.803
   37   1HG   GLU   5          1HG       GLU   5   1.361  -5.819  12.823
   38   2HG   GLU   5          2HG       GLU   5   2.396  -7.195  13.228
   39    HE2  GLU   5           HE2      GLU   5   4.304  -4.053  13.354
   40    H    ASP   6           H        ASP   6   0.227  -7.550   8.590
   41    HA   ASP   6           HA       ASP   6   2.274  -8.263   6.782
   42   1HB   ASP   6          1HB       ASP   6   0.157  -9.561   7.252
   43   2HB   ASP   6          2HB       ASP   6  -0.698  -8.381   6.249
   44    HD2  ASP   6           HD2      ASP   6   1.911  -9.955   3.866
   45    H    PHE   7           H        PHE   7   0.135  -5.561   6.939
   46    HA   PHE   7           HA       PHE   7   0.085  -4.804   4.236
   47   1HB   PHE   7          1HB       PHE   7  -1.374  -3.871   6.045
   48   2HB   PHE   7          2HB       PHE   7   0.021  -2.966   6.635
   49    HD1  PHE   7           HD2      PHE   7   1.002  -1.149   5.299
   50    HD2  PHE   7           HD1      PHE   7  -2.559  -3.147   4.099
   51    HE1  PHE   7           HE2      PHE   7   0.502   0.687   3.740
   52    HE2  PHE   7           HE1      PHE   7  -3.065  -1.313   2.536
   53    HZ   PHE   7           HZ       PHE   7  -1.534   0.607   2.356
   54    H    LYS   8           H        LYS   8   2.300  -3.913   6.861
   55    HA   LYS   8           HA       LYS   8   3.908  -2.191   5.277
   56   1HB   LYS   8          1HB       LYS   8   4.818  -3.668   7.749
   57   2HB   LYS   8          2HB       LYS   8   5.388  -2.107   7.136
   58   1HG   LYS   8          1HG       LYS   8   3.976  -1.114   8.524
   59   2HG   LYS   8          2HG       LYS   8   2.651  -1.768   7.545
   60   1HD   LYS   8          1HD       LYS   8   2.336  -3.608   8.952
   61   2HD   LYS   8          2HD       LYS   8   3.940  -3.425   9.687
   62   1HE   LYS   8          1HE       LYS   8   2.447  -1.016  10.112
   63   2HE   LYS   8          2HE       LYS   8   1.467  -2.404  10.605
   64   1HZ   LYS   8          1HZ       LYS   8   3.980  -2.913  11.592
   65   2HZ   LYS   8          2HZ       LYS   8   2.631  -2.406  12.477
   66   3HZ   LYS   8          3HZ       LYS   8   3.734  -1.266  11.888
   67    H    ALA   9           H        ALA   9   3.710  -5.595   5.576
   68    HA   ALA   9           HA       ALA   9   6.389  -6.228   4.832
   69   1HB   ALA   9          1HB       ALA   9   4.977  -7.823   6.025
   70   2HB   ALA   9          2HB       ALA   9   3.893  -7.908   4.636
   71   3HB   ALA   9          3HB       ALA   9   5.550  -8.495   4.498
   72    H    VAL  10           H        VAL  10   3.328  -5.983   3.056
   73    HA   VAL  10           HA       VAL  10   4.556  -6.628   0.534
   74    HB   VAL  10           HB       VAL  10   1.802  -5.680   1.298
   75   1HG1  VAL  10          1HG1      VAL  10   2.898  -6.154  -1.471
   76   2HG1  VAL  10          2HG1      VAL  10   1.183  -6.003  -1.083
   77   3HG1  VAL  10          3HG1      VAL  10   2.271  -4.640  -0.820
   78   1HG2  VAL  10          1HG2      VAL  10   1.100  -7.852   0.790
   79   2HG2  VAL  10          2HG2      VAL  10   2.566  -8.214  -0.119
   80   3HG2  VAL  10          3HG2      VAL  10   2.629  -8.083   1.639
   81    H    PHE  11           H        PHE  11   3.496  -3.708   2.201
   82    HA   PHE  11           HA       PHE  11   3.758  -1.898   0.083
   83   1HB   PHE  11          1HB       PHE  11   3.384  -1.784   2.949
   84   2HB   PHE  11          2HB       PHE  11   4.507  -0.528   2.425
   85    HD1  PHE  11           HD2      PHE  11   1.612  -1.904   0.560
   86    HD2  PHE  11           HD1      PHE  11   3.267   1.431   2.621
   87    HE1  PHE  11           HE2      PHE  11  -0.269  -0.509  -0.195
   88    HE2  PHE  11           HE1      PHE  11   1.388   2.832   1.870
   89    HZ   PHE  11           HZ       PHE  11  -0.382   1.863   0.459
   90    H    GLY  12           H        GLY  12   6.122  -3.012   2.478
   91   1HA   GLY  12          1HA       GLY  12   8.426  -3.258   2.072
   92   2HA   GLY  12          2HA       GLY  12   8.264  -2.232   0.656
   93    H    MET  13           H        MET  13   6.747  -0.211   2.238
   94    HA   MET  13           HA       MET  13   9.019   0.902   3.751
   95   1HB   MET  13          1HB       MET  13   8.485   2.011   1.535
   96   2HB   MET  13          2HB       MET  13   6.956   2.525   2.264
   97   1HG   MET  13          1HG       MET  13   7.919   4.127   3.525
   98   2HG   MET  13          2HG       MET  13   9.362   3.156   3.826
   99   1HE   MET  13          1HE       MET  13   9.963   6.786   1.996
  100   2HE   MET  13          2HE       MET  13   8.919   6.205   3.294
  101   3HE   MET  13          3HE       MET  13  10.658   5.913   3.362
  102    H    THR  14           H        THR  14   8.382   2.521   5.405
  103    HA   THR  14           HA       THR  14   6.679   1.483   7.303
  104    HB   THR  14           HB       THR  14   6.546   4.113   7.947
  105    HG1  THR  14           HG1      THR  14   7.730   4.492   5.872
  106   1HG2  THR  14          1HG2      THR  14   7.744   1.987   8.986
  107   2HG2  THR  14          2HG2      THR  14   8.138   3.623   9.517
  108   3HG2  THR  14          3HG2      THR  14   9.180   2.796   8.360
  109    H    ARG  15           H        ARG  15   4.611   0.972   6.870
  110    HA   ARG  15           HA       ARG  15   2.877   2.231   5.118
  111   1HB   ARG  15          1HB       ARG  15   1.155   0.947   6.045
  112   2HB   ARG  15          2HB       ARG  15   2.614  -0.006   6.353
  113   1HG   ARG  15          1HG       ARG  15   1.747  -0.158   8.426
  114   2HG   ARG  15          2HG       ARG  15   2.528   1.419   8.623
  115   1HD   ARG  15          1HD       ARG  15   0.208   1.448   9.440
  116   2HD   ARG  15          2HD       ARG  15   0.450   2.552   8.078
  117    HE   ARG  15           HE       ARG  15  -0.969   1.263   6.806
  118   1HH1  ARG  15          1HH1      ARG  15  -0.134  -0.440   9.726
  119   2HH1  ARG  15          2HH1      ARG  15  -1.313  -1.687   9.490
  120   1HH2  ARG  15          1HH2      ARG  15  -2.525  -0.374   6.486
  121   2HH2  ARG  15          2HH2      ARG  15  -2.672  -1.649   7.647
  122    H    SER  16           H        SER  16   3.789   3.121   8.347
  123    HA   SER  16           HA       SER  16   1.613   4.845   8.917
  124   1HB   SER  16          1HB       SER  16   2.960   4.067  10.744
  125   2HB   SER  16          2HB       SER  16   4.432   4.722  10.004
  126    HG   SER  16           HG       SER  16   2.251   6.175  11.085
  127    H    ALA  17           H        ALA  17   4.844   5.412   7.566
  128    HA   ALA  17           HA       ALA  17   4.492   8.226   7.284
  129   1HB   ALA  17          1HB       ALA  17   6.705   7.159   7.463
  130   2HB   ALA  17          2HB       ALA  17   6.459   6.424   5.878
  131   3HB   ALA  17          3HB       ALA  17   6.562   8.178   6.031
  132    H    PHE  18           H        PHE  18   3.923   5.445   5.223
  133    HA   PHE  18           HA       PHE  18   3.468   6.979   2.847
  134   1HB   PHE  18          1HB       PHE  18   3.478   4.155   3.621
  135   2HB   PHE  18          2HB       PHE  18   2.213   4.543   2.454
  136    HD1  PHE  18           HD1      PHE  18   5.575   6.082   2.730
  137    HD2  PHE  18           HD2      PHE  18   2.982   3.562   0.485
  138    HE1  PHE  18           HE1      PHE  18   7.217   6.029   0.900
  139    HE2  PHE  18           HE2      PHE  18   4.621   3.504  -1.349
  140    HZ   PHE  18           HZ       PHE  18   6.742   4.738  -1.143
  141    H    ALA  19           H        ALA  19   1.468   5.631   5.401
  142    HA   ALA  19           HA       ALA  19  -1.048   5.926   4.235
  143   1HB   ALA  19          1HB       ALA  19  -0.699   4.697   6.303
  144   2HB   ALA  19          2HB       ALA  19  -0.291   6.195   7.141
  145   3HB   ALA  19          3HB       ALA  19  -1.923   5.948   6.523
  146    H    ASN  20           H        ASN  20   1.166   8.300   5.344
  147    HA   ASN  20           HA       ASN  20  -0.574  10.384   6.038
  148   1HB   ASN  20          1HB       ASN  20   2.260  10.249   5.059
  149   2HB   ASN  20          2HB       ASN  20   1.458  11.819   5.190
  150   1HD2  ASN  20          1HD2      ASN  20   1.191   8.950   7.238
  151   2HD2  ASN  20          2HD2      ASN  20   1.719   9.724   8.690
  152    H    LEU  21           H        LEU  21   0.119   8.970   3.008
  153    HA   LEU  21           HA       LEU  21  -0.888  11.298   1.540
  154   1HB   LEU  21          1HB       LEU  21   0.887   9.056   0.932
  155   2HB   LEU  21          2HB       LEU  21  -0.327   9.355  -0.324
  156    HG   LEU  21           HG       LEU  21   0.505  11.511  -0.768
  157   1HD1  LEU  21          1HD1      LEU  21   0.761  12.288   1.516
  158   2HD1  LEU  21          2HD1      LEU  21   2.233  12.594   0.594
  159   3HD1  LEU  21          3HD1      LEU  21   2.169  11.249   1.733
  160   1HD2  LEU  21          1HD2      LEU  21   2.150   9.256  -0.933
  161   2HD2  LEU  21          2HD2      LEU  21   3.190  10.563  -0.366
  162   3HD2  LEU  21          3HD2      LEU  21   2.278  10.749  -1.865
  163    HA   PRO  22           HA       PRO  22  -4.854   9.594   0.760
  164   1HB   PRO  22          1HB       PRO  22  -5.309  10.325  -1.840
  165   2HB   PRO  22          2HB       PRO  22  -5.307  11.464  -0.495
  166   1HG   PRO  22          1HG       PRO  22  -3.115  10.807  -2.435
  167   2HG   PRO  22          2HG       PRO  22  -3.680  12.418  -1.856
  168   1HD   PRO  22          1HD       PRO  22  -1.448  11.213  -0.888
  169   2HD   PRO  22          2HD       PRO  22  -2.494  12.236   0.113
  170    H    LEU  23           H        LEU  23  -6.043   7.969  -0.386
  171    HA   LEU  23           HA       LEU  23  -4.523   5.691  -1.054
  172   1HB   LEU  23          1HB       LEU  23  -7.424   6.238  -1.702
  173   2HB   LEU  23          2HB       LEU  23  -6.632   4.654  -1.624
  174    HG   LEU  23           HG       LEU  23  -6.308   5.993   0.886
  175   1HD1  LEU  23          1HD1      LEU  23  -8.206   7.270   0.711
  176   2HD1  LEU  23          2HD1      LEU  23  -8.866   5.780   1.387
  177   3HD1  LEU  23          3HD1      LEU  23  -9.022   6.110  -0.338
  178   1HD2  LEU  23          1HD2      LEU  23  -7.503   3.981   1.691
  179   2HD2  LEU  23          2HD2      LEU  23  -6.164   3.604   0.606
  180   3HD2  LEU  23          3HD2      LEU  23  -7.825   3.537   0.014
  181    H    TRP  24           H        TRP  24  -5.665   8.347  -2.926
  182    HA   TRP  24           HA       TRP  24  -5.866   7.249  -5.466
  183   1HB   TRP  24          1HB       TRP  24  -5.889   9.817  -4.359
  184   2HB   TRP  24          2HB       TRP  24  -4.560   9.844  -5.519
  185    HD1  TRP  24           HD1      TRP  24  -8.344   9.703  -5.349
  186    HE1  TRP  24           HE1      TRP  24  -9.304   9.927  -7.727
  187    HE3  TRP  24           HE3      TRP  24  -4.005   9.281  -8.021
  188    HZ2  TRP  24           HZ2      TRP  24  -8.348   9.924 -10.384
  189    HZ3  TRP  24           HZ3      TRP  24  -4.115   9.401 -10.476
  190    HH2  TRP  24           HH2      TRP  24  -6.243   9.717 -11.631
  191    H    LYS  25           H        LYS  25  -2.989   8.595  -3.864
  192    HA   LYS  25           HA       LYS  25  -1.217   8.018  -6.001
  193   1HB   LYS  25          1HB       LYS  25  -1.064   9.490  -3.702
  194   2HB   LYS  25          2HB       LYS  25  -0.056   8.092  -3.298
  195   1HG   LYS  25          1HG       LYS  25   0.310   9.743  -5.795
  196   2HG   LYS  25          2HG       LYS  25   1.173  10.034  -4.275
  197   1HD   LYS  25          1HD       LYS  25   1.631   7.382  -4.584
  198   2HD   LYS  25          2HD       LYS  25   1.532   7.899  -6.276
  199   1HE   LYS  25          1HE       LYS  25   3.185   9.524  -4.391
  200   2HE   LYS  25          2HE       LYS  25   3.812   7.965  -4.947
  201   1HZ   LYS  25          1HZ       LYS  25   4.469   9.903  -6.333
  202   2HZ   LYS  25          2HZ       LYS  25   2.850  10.083  -6.786
  203   3HZ   LYS  25          3HZ       LYS  25   3.690   8.673  -7.195
  204    H    GLN  26           H        GLN  26  -2.491   6.143  -3.387
  205    HA   GLN  26           HA       GLN  26  -0.501   4.157  -3.223
  206   1HB   GLN  26          1HB       GLN  26  -3.141   4.617  -2.168
  207   2HB   GLN  26          2HB       GLN  26  -2.985   2.935  -2.698
  208   1HG   GLN  26          1HG       GLN  26  -1.603   2.391  -1.028
  209   2HG   GLN  26          2HG       GLN  26  -0.698   3.905  -1.164
  210   1HE2  GLN  26          1HE2      GLN  26  -3.663   2.488   0.094
  211   2HE2  GLN  26          2HE2      GLN  26  -3.874   3.618   1.383
  212    H    GLN  27           H        GLN  27  -3.002   4.753  -5.533
  213    HA   GLN  27           HA       GLN  27  -3.337   2.191  -6.606
  214   1HB   GLN  27          1HB       GLN  27  -3.562   4.936  -7.846
  215   2HB   GLN  27          2HB       GLN  27  -3.976   3.451  -8.718
  216   1HG   GLN  27          1HG       GLN  27  -5.799   2.986  -7.341
  217   2HG   GLN  27          2HG       GLN  27  -5.229   4.084  -6.075
  218   1HE2  GLN  27          1HE2      GLN  27  -7.383   4.961  -6.145
  219   2HE2  GLN  27          2HE2      GLN  27  -7.791   6.138  -7.342
  220    H    ASN  28           H        ASN  28  -0.822   4.572  -7.048
  221    HA   ASN  28           HA       ASN  28   0.342   3.549  -9.393
  222   1HB   ASN  28          1HB       ASN  28   0.798   5.776  -8.162
  223   2HB   ASN  28          2HB       ASN  28   1.935   4.836  -7.188
  224   1HD2  ASN  28          1HD2      ASN  28   3.899   4.391  -7.971
  225   2HD2  ASN  28          2HD2      ASN  28   4.442   4.796  -9.560
  226    H    LEU  29           H        LEU  29   0.906   2.811  -5.978
  227    HA   LEU  29           HA       LEU  29   2.958   0.877  -6.585
  228   1HB   LEU  29          1HB       LEU  29   1.764   2.081  -4.177
  229   2HB   LEU  29          2HB       LEU  29   2.282   0.395  -3.998
  230    HG   LEU  29           HG       LEU  29   3.960   2.120  -3.289
  231   1HD1  LEU  29          1HD1      LEU  29   5.815   0.904  -4.122
  232   2HD1  LEU  29          2HD1      LEU  29   4.922   0.387  -5.552
  233   3HD1  LEU  29          3HD1      LEU  29   4.486  -0.244  -3.964
  234   1HD2  LEU  29          1HD2      LEU  29   5.261   3.194  -5.101
  235   2HD2  LEU  29          2HD2      LEU  29   3.601   3.783  -4.995
  236   3HD2  LEU  29          3HD2      LEU  29   4.052   2.637  -6.259
  237    H    LYS  30           H        LYS  30  -0.414   0.815  -5.507
  238    HA   LYS  30           HA       LYS  30  -0.668  -1.945  -5.142
  239   1HB   LYS  30          1HB       LYS  30  -2.320  -0.194  -4.440
  240   2HB   LYS  30          2HB       LYS  30  -2.820  -0.070  -6.135
  241   1HG   LYS  30          1HG       LYS  30  -3.913  -2.069  -6.123
  242   2HG   LYS  30          2HG       LYS  30  -2.846  -2.761  -4.887
  243   1HD   LYS  30          1HD       LYS  30  -4.633  -0.483  -4.135
  244   2HD   LYS  30          2HD       LYS  30  -5.329  -2.103  -4.315
  245   1HE   LYS  30          1HE       LYS  30  -4.626  -2.614  -2.264
  246   2HE   LYS  30          2HE       LYS  30  -2.959  -2.414  -2.825
  247   1HZ   LYS  30          1HZ       LYS  30  -4.358  -0.831  -1.001
  248   2HZ   LYS  30          2HZ       LYS  30  -4.055   0.126  -2.362
  249   3HZ   LYS  30          3HZ       LYS  30  -2.772  -0.627  -1.557
  250    H    LYS  31           H        LYS  31  -0.816   0.022  -8.040
  251    HA   LYS  31           HA       LYS  31  -1.770  -2.119  -9.710
  252   1HB   LYS  31          1HB       LYS  31  -2.207   0.317 -10.140
  253   2HB   LYS  31          2HB       LYS  31  -0.495   0.486 -10.560
  254   1HG   LYS  31          1HG       LYS  31  -1.238   0.141 -12.654
  255   2HG   LYS  31          2HG       LYS  31  -1.169  -1.562 -12.170
  256   1HD   LYS  31          1HD       LYS  31  -3.665  -0.367 -11.332
  257   2HD   LYS  31          2HD       LYS  31  -3.407  -0.149 -13.072
  258   1HE   LYS  31          1HE       LYS  31  -3.484  -2.393 -13.521
  259   2HE   LYS  31          2HE       LYS  31  -2.847  -2.831 -11.929
  260   1HZ   LYS  31          1HZ       LYS  31  -5.305  -1.629 -11.487
  261   2HZ   LYS  31          2HZ       LYS  31  -4.913  -3.266 -11.309
  262   3HZ   LYS  31          3HZ       LYS  31  -5.536  -2.700 -12.777
  263    H    GLU  32           H        GLU  32   1.303  -0.909  -8.664
  264    HA   GLU  32           HA       GLU  32   2.929  -1.923 -10.724
  265   1HB   GLU  32          1HB       GLU  32   3.696  -0.282  -9.051
  266   2HB   GLU  32          2HB       GLU  32   3.616  -1.538  -7.805
  267   1HG   GLU  32          1HG       GLU  32   5.351  -2.813  -8.896
  268   2HG   GLU  32          2HG       GLU  32   5.383  -1.659 -10.238
  269    HE2  GLU  32           HE2      GLU  32   7.713   0.206  -8.582
  270    H    LYS  33           H        LYS  33   1.626  -3.383  -7.804
  271    HA   LYS  33           HA       LYS  33   2.842  -5.948  -8.588
  272   1HB   LYS  33          1HB       LYS  33   1.906  -4.953  -5.888
  273   2HB   LYS  33          2HB       LYS  33   2.405  -6.622  -6.206
  274   1HG   LYS  33          1HG       LYS  33   4.628  -5.711  -6.964
  275   2HG   LYS  33          2HG       LYS  33   4.099  -4.142  -6.332
  276   1HD   LYS  33          1HD       LYS  33   4.326  -4.772  -4.166
  277   2HD   LYS  33          2HD       LYS  33   3.796  -6.431  -4.494
  278   1HE   LYS  33          1HE       LYS  33   6.262  -6.087  -5.841
  279   2HE   LYS  33          2HE       LYS  33   6.455  -5.410  -4.217
  280   1HZ   LYS  33          1HZ       LYS  33   6.923  -7.879  -4.541
  281   2HZ   LYS  33          2HZ       LYS  33   5.246  -8.074  -4.621
  282   3HZ   LYS  33          3HZ       LYS  33   5.957  -7.437  -3.224
  283    H    LEU  34           H        LEU  34   0.038  -5.092  -6.573
  284    HA   LEU  34           HA       LEU  34  -1.935  -5.959  -8.373
  285   1HB   LEU  34          1HB       LEU  34  -2.586  -8.072  -7.186
  286   2HB   LEU  34          2HB       LEU  34  -1.099  -8.160  -8.145
  287    HG   LEU  34           HG       LEU  34  -0.047  -7.594  -5.735
  288   1HD1  LEU  34          1HD1      LEU  34  -1.240  -8.307  -3.952
  289   2HD1  LEU  34          2HD1      LEU  34  -2.101  -9.537  -4.876
  290   3HD1  LEU  34          3HD1      LEU  34  -2.599  -7.849  -4.980
  291   1HD2  LEU  34          1HD2      LEU  34   0.594  -9.430  -7.212
  292   2HD2  LEU  34          2HD2      LEU  34  -0.838 -10.335  -6.720
  293   3HD2  LEU  34          3HD2      LEU  34   0.430  -9.981  -5.544
  294    H    LEU  35           H        LEU  35  -4.037  -6.562  -7.063
  295    HA   LEU  35           HA       LEU  35  -4.400  -4.406  -5.166
  296   1HB   LEU  35          1HB       LEU  35  -5.997  -5.194  -7.075
  297   2HB   LEU  35          2HB       LEU  35  -6.517  -6.393  -5.878
  298    HG   LEU  35           HG       LEU  35  -6.602  -3.898  -4.577
  299   1HD1  LEU  35          1HD1      LEU  35  -6.529  -2.968  -6.914
  300   2HD1  LEU  35          2HD1      LEU  35  -7.939  -2.515  -5.957
  301   3HD1  LEU  35          3HD1      LEU  35  -8.078  -3.763  -7.195
  302   1HD2  LEU  35          1HD2      LEU  35  -8.052  -5.824  -4.163
  303   2HD2  LEU  35          2HD2      LEU  35  -8.817  -5.589  -5.735
  304   3HD2  LEU  35          3HD2      LEU  35  -8.993  -4.365  -4.477
  305    H    PHE  36           H        PHE  36  -5.336  -7.851  -5.122
  306    HA   PHE  36           HA       PHE  36  -5.833  -8.028  -2.397
  307   1HB   PHE  36          1HB       PHE  36  -5.600  -9.834  -4.618
  308   2HB   PHE  36          2HB       PHE  36  -4.765 -10.522  -3.224
  309    HD1  PHE  36           HD2      PHE  36  -8.006  -9.437  -4.529
  310    HD2  PHE  36           HD1      PHE  36  -5.949 -11.181  -1.238
  311    HE1  PHE  36           HE2      PHE  36 -10.155 -10.163  -3.576
  312    HE2  PHE  36           HE1      PHE  36  -8.095 -11.911  -0.279
  313    HZ   PHE  36           HZ       PHE  36 -10.201 -11.401  -1.447
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1  -8.723 -12.288   4.202
    2   2H    MET   1          2H        MET   1  -8.244 -10.851   3.534
    3   3H    MET   1          3H        MET   1  -7.241 -12.166   3.474
    4    HA   MET   1           HA       MET   1  -8.090 -10.756   5.872
    5   1HB   MET   1          1HB       MET   1  -6.269 -13.134   5.446
    6   2HB   MET   1          2HB       MET   1  -6.332 -12.206   6.952
    7   1HG   MET   1          1HG       MET   1  -8.911 -13.232   5.906
    8   2HG   MET   1          2HG       MET   1  -7.765 -14.415   6.543
    9   1HE   MET   1          1HE       MET   1 -10.541 -12.659   6.962
   10   2HE   MET   1          2HE       MET   1 -10.916 -13.009   8.650
   11   3HE   MET   1          3HE       MET   1 -10.356 -11.402   8.186
   12    H    LEU   2           H        LEU   2  -6.980  -8.957   6.240
   13    HA   LEU   2           HA       LEU   2  -4.222  -8.737   5.298
   14   1HB   LEU   2          1HB       LEU   2  -5.461  -7.734   3.512
   15   2HB   LEU   2          2HB       LEU   2  -6.434  -6.796   4.659
   16    HG   LEU   2           HG       LEU   2  -3.602  -6.211   4.914
   17   1HD1  LEU   2          1HD1      LEU   2  -4.897  -5.578   2.267
   18   2HD1  LEU   2          2HD1      LEU   2  -3.642  -6.792   2.512
   19   3HD1  LEU   2          3HD1      LEU   2  -3.291  -5.090   2.807
   20   1HD2  LEU   2          1HD2      LEU   2  -5.991  -4.984   5.428
   21   2HD2  LEU   2          2HD2      LEU   2  -5.434  -4.130   3.990
   22   3HD2  LEU   2          3HD2      LEU   2  -4.416  -4.191   5.429
   23    H    SER   3           H        SER   3  -3.374  -8.698   7.329
   24    HA   SER   3           HA       SER   3  -4.484  -6.915   9.338
   25   1HB   SER   3          1HB       SER   3  -2.093  -7.997  10.328
   26   2HB   SER   3          2HB       SER   3  -3.739  -8.564  10.665
   27    HG   SER   3           HG       SER   3  -2.012  -9.458   8.600
   28    H    ASP   4           H        ASP   4  -3.032  -5.458  10.550
   29    HA   ASP   4           HA       ASP   4  -1.845  -3.554   8.913
   30   1HB   ASP   4          1HB       ASP   4  -0.907  -2.583  10.970
   31   2HB   ASP   4          2HB       ASP   4  -2.597  -3.057  11.186
   32    HD2  ASP   4           HD2      ASP   4  -1.769  -5.531  13.483
   33    H    GLU   5           H        GLU   5  -0.399  -6.277  10.626
   34    HA   GLU   5           HA       GLU   5   2.297  -5.584  10.052
   35   1HB   GLU   5          1HB       GLU   5   0.885  -8.023  11.056
   36   2HB   GLU   5          2HB       GLU   5   2.559  -8.171  10.501
   37   1HG   GLU   5          1HG       GLU   5   1.868  -6.017  12.446
   38   2HG   GLU   5          2HG       GLU   5   2.009  -7.687  13.012
   39    HE2  GLU   5           HE2      GLU   5   5.460  -7.716  12.477
   40    H    ASP   6           H        ASP   6  -0.158  -7.445   8.387
   41    HA   ASP   6           HA       ASP   6   1.649  -8.538   6.439
   42   1HB   ASP   6          1HB       ASP   6  -0.503  -9.627   7.141
   43   2HB   ASP   6          2HB       ASP   6  -1.363  -8.343   6.281
   44    HD2  ASP   6           HD2      ASP   6   0.308 -11.232   4.181
   45    H    PHE   7           H        PHE   7  -0.198  -5.636   6.787
   46    HA   PHE   7           HA       PHE   7  -0.393  -4.898   4.070
   47   1HB   PHE   7          1HB       PHE   7  -1.689  -3.879   5.962
   48   2HB   PHE   7          2HB       PHE   7  -0.213  -3.048   6.456
   49    HD1  PHE   7           HD2      PHE   7   0.720  -1.232   5.143
   50    HD2  PHE   7           HD1      PHE   7  -2.888  -3.171   3.983
   51    HE1  PHE   7           HE2      PHE   7   0.226   0.619   3.598
   52    HE2  PHE   7           HE1      PHE   7  -3.387  -1.324   2.436
   53    HZ   PHE   7           HZ       PHE   7  -1.829   0.575   2.243
   54    H    LYS   8           H        LYS   8   2.008  -4.124   6.567
   55    HA   LYS   8           HA       LYS   8   3.624  -2.502   4.893
   56   1HB   LYS   8          1HB       LYS   8   4.396  -4.025   7.395
   57   2HB   LYS   8          2HB       LYS   8   5.307  -2.696   6.661
   58   1HG   LYS   8          1HG       LYS   8   4.012  -1.119   7.582
   59   2HG   LYS   8          2HG       LYS   8   2.525  -2.032   7.272
   60   1HD   LYS   8          1HD       LYS   8   2.459  -2.814   9.361
   61   2HD   LYS   8          2HD       LYS   8   4.155  -3.327   9.281
   62   1HE   LYS   8          1HE       LYS   8   3.700  -0.409   9.515
   63   2HE   LYS   8          2HE       LYS   8   3.250  -1.387  10.920
   64   1HZ   LYS   8          1HZ       LYS   8   5.908  -1.081   9.673
   65   2HZ   LYS   8          2HZ       LYS   8   5.558  -2.416  10.651
   66   3HZ   LYS   8          3HZ       LYS   8   5.463  -0.852  11.290
   67    H    ALA   9           H        ALA   9   3.208  -5.877   5.145
   68    HA   ALA   9           HA       ALA   9   5.807  -6.690   4.294
   69   1HB   ALA   9          1HB       ALA   9   4.785  -8.881   3.939
   70   2HB   ALA   9          2HB       ALA   9   4.325  -8.206   5.502
   71   3HB   ALA   9          3HB       ALA   9   3.184  -8.173   4.159
   72    H    VAL  10           H        VAL  10   2.702  -6.233   2.629
   73    HA   VAL  10           HA       VAL  10   3.817  -6.875   0.054
   74    HB   VAL  10           HB       VAL  10   1.137  -5.826   0.933
   75   1HG1  VAL  10          1HG1      VAL  10   1.579  -4.747  -1.170
   76   2HG1  VAL  10          2HG1      VAL  10   2.118  -6.267  -1.885
   77   3HG1  VAL  10          3HG1      VAL  10   0.426  -6.053  -1.435
   78   1HG2  VAL  10          1HG2      VAL  10   1.861  -8.269   1.182
   79   2HG2  VAL  10          2HG2      VAL  10   0.320  -7.951   0.386
   80   3HG2  VAL  10          3HG2      VAL  10   1.744  -8.350  -0.575
   81    H    PHE  11           H        PHE  11   2.954  -3.950   1.822
   82    HA   PHE  11           HA       PHE  11   3.225  -2.102  -0.261
   83   1HB   PHE  11          1HB       PHE  11   2.955  -2.043   2.616
   84   2HB   PHE  11          2HB       PHE  11   4.123  -0.832   2.086
   85    HD1  PHE  11           HD2      PHE  11   1.107  -2.005   0.276
   86    HD2  PHE  11           HD1      PHE  11   2.989   1.180   2.381
   87    HE1  PHE  11           HE2      PHE  11  -0.720  -0.495  -0.381
   88    HE2  PHE  11           HE1      PHE  11   1.164   2.695   1.728
   89    HZ   PHE  11           HZ       PHE  11  -0.693   1.859   0.344
   90    H    GLY  12           H        GLY  12   5.618  -3.357   2.038
   91   1HA   GLY  12          1HA       GLY  12   7.895  -3.698   1.562
   92   2HA   GLY  12          2HA       GLY  12   7.730  -2.669   0.147
   93    H    MET  13           H        MET  13   6.353  -0.585   1.783
   94    HA   MET  13           HA       MET  13   8.724   0.432   3.210
   95   1HB   MET  13          1HB       MET  13   8.084   1.540   0.982
   96   2HB   MET  13          2HB       MET  13   6.690   2.192   1.856
   97   1HG   MET  13          1HG       MET  13   8.400   3.859   1.837
   98   2HG   MET  13          2HG       MET  13   8.247   3.228   3.479
   99   1HE   MET  13          1HE       MET  13  10.676   4.880   3.048
  100   2HE   MET  13          2HE       MET  13  12.108   4.150   2.323
  101   3HE   MET  13          3HE       MET  13  10.743   4.611   1.306
  102    H    THR  14           H        THR  14   8.273   1.960   4.947
  103    HA   THR  14           HA       THR  14   6.549   1.030   6.863
  104    HB   THR  14           HB       THR  14   6.626   3.719   7.461
  105    HG1  THR  14           HG1      THR  14   8.810   4.301   6.849
  106   1HG2  THR  14          1HG2      THR  14   7.293   2.169   9.083
  107   2HG2  THR  14          2HG2      THR  14   8.779   3.042   8.706
  108   3HG2  THR  14          3HG2      THR  14   8.500   1.440   8.024
  109    H    ARG  15           H        ARG  15   4.437   0.672   6.496
  110    HA   ARG  15           HA       ARG  15   2.740   2.080   4.823
  111   1HB   ARG  15          1HB       ARG  15   0.969   0.890   5.770
  112   2HB   ARG  15          2HB       ARG  15   2.369  -0.162   6.031
  113   1HG   ARG  15          1HG       ARG  15   1.549  -0.290   8.122
  114   2HG   ARG  15          2HG       ARG  15   2.425   1.238   8.321
  115   1HD   ARG  15          1HD       ARG  15   0.143   1.411   9.197
  116   2HD   ARG  15          2HD       ARG  15   0.394   2.489   7.817
  117    HE   ARG  15           HE       ARG  15  -0.640   0.306   6.642
  118   1HH1  ARG  15          1HH1      ARG  15  -1.628   2.164   9.415
  119   2HH1  ARG  15          2HH1      ARG  15  -3.315   1.831   9.201
  120   1HH2  ARG  15          1HH2      ARG  15  -2.858  -0.142   6.351
  121   2HH2  ARG  15          2HH2      ARG  15  -4.013   0.517   7.458
  122    H    SER  16           H        SER  16   3.849   2.865   8.008
  123    HA   SER  16           HA       SER  16   1.806   4.691   8.723
  124   1HB   SER  16          1HB       SER  16   4.081   3.631   9.948
  125   2HB   SER  16          2HB       SER  16   4.414   5.366   9.823
  126    HG   SER  16           HG       SER  16   2.053   4.236  10.924
  127    H    ALA  17           H        ALA  17   4.976   5.115   7.187
  128    HA   ALA  17           HA       ALA  17   4.738   7.948   6.946
  129   1HB   ALA  17          1HB       ALA  17   6.549   6.075   5.427
  130   2HB   ALA  17          2HB       ALA  17   6.738   7.821   5.593
  131   3HB   ALA  17          3HB       ALA  17   6.908   6.777   7.004
  132    H    PHE  18           H        PHE  18   3.942   5.211   4.901
  133    HA   PHE  18           HA       PHE  18   3.440   6.777   2.557
  134   1HB   PHE  18          1HB       PHE  18   3.346   3.953   3.325
  135   2HB   PHE  18          2HB       PHE  18   2.043   4.410   2.226
  136    HD1  PHE  18           HD2      PHE  18   5.492   5.769   2.332
  137    HD2  PHE  18           HD1      PHE  18   2.654   3.404   0.216
  138    HE1  PHE  18           HE2      PHE  18   7.031   5.640   0.417
  139    HE2  PHE  18           HE1      PHE  18   4.189   3.271  -1.701
  140    HZ   PHE  18           HZ       PHE  18   6.381   4.391  -1.603
  141    H    ALA  19           H        ALA  19   1.504   5.515   5.205
  142    HA   ALA  19           HA       ALA  19  -1.048   5.959   4.162
  143   1HB   ALA  19          1HB       ALA  19  -1.812   5.984   6.489
  144   2HB   ALA  19          2HB       ALA  19  -0.666   4.676   6.195
  145   3HB   ALA  19          3HB       ALA  19  -0.141   6.135   7.033
  146    H    ASN  20           H        ASN  20   1.344   8.189   5.185
  147    HA   ASN  20           HA       ASN  20  -0.245  10.353   6.000
  148   1HB   ASN  20          1HB       ASN  20   2.498  10.214   4.736
  149   2HB   ASN  20          2HB       ASN  20   1.766  11.737   5.259
  150   1HD2  ASN  20          1HD2      ASN  20   0.601  11.214   7.580
  151   2HD2  ASN  20          2HD2      ASN  20   1.745  10.660   8.751
  152    H    LEU  21           H        LEU  21   0.219   8.955   2.921
  153    HA   LEU  21           HA       LEU  21  -0.717  11.360   1.535
  154   1HB   LEU  21          1HB       LEU  21   0.878   9.019   0.811
  155   2HB   LEU  21          2HB       LEU  21  -0.377   9.413  -0.379
  156    HG   LEU  21           HG       LEU  21   0.567  11.520  -0.839
  157   1HD1  LEU  21          1HD1      LEU  21   2.335  11.117   1.569
  158   2HD1  LEU  21          2HD1      LEU  21   0.987  12.245   1.438
  159   3HD1  LEU  21          3HD1      LEU  21   2.426  12.473   0.445
  160   1HD2  LEU  21          1HD2      LEU  21   3.207  10.434  -0.608
  161   2HD2  LEU  21          2HD2      LEU  21   2.206  10.636  -2.045
  162   3HD2  LEU  21          3HD2      LEU  21   2.079   9.164  -1.083
  163    HA   PRO  22           HA       PRO  22  -4.817   9.918   0.936
  164   1HB   PRO  22          1HB       PRO  22  -5.352  10.702  -1.633
  165   2HB   PRO  22          2HB       PRO  22  -5.212  11.825  -0.282
  166   1HG   PRO  22          1HG       PRO  22  -3.165  11.050  -2.332
  167   2HG   PRO  22          2HG       PRO  22  -3.596  12.689  -1.716
  168   1HD   PRO  22          1HD       PRO  22  -1.400  11.336  -0.869
  169   2HD   PRO  22          2HD       PRO  22  -2.329  12.412   0.190
  170    H    LEU  23           H        LEU  23  -6.163   8.385  -0.166
  171    HA   LEU  23           HA       LEU  23  -4.899   5.991  -0.842
  172   1HB   LEU  23          1HB       LEU  23  -7.696   6.997  -1.356
  173   2HB   LEU  23          2HB       LEU  23  -7.172   5.351  -1.757
  174    HG   LEU  23           HG       LEU  23  -6.461   5.622   0.902
  175   1HD1  LEU  23          1HD1      LEU  23  -8.146   7.712   0.518
  176   2HD1  LEU  23          2HD1      LEU  23  -7.935   6.863   2.049
  177   3HD1  LEU  23          3HD1      LEU  23  -9.276   6.440   0.984
  178   1HD2  LEU  23          1HD2      LEU  23  -7.374   3.624  -0.064
  179   2HD2  LEU  23          2HD2      LEU  23  -8.915   4.424  -0.375
  180   3HD2  LEU  23          3HD2      LEU  23  -8.399   4.116   1.284
  181    H    TRP  24           H        TRP  24  -5.655   8.751  -2.764
  182    HA   TRP  24           HA       TRP  24  -5.853   7.670  -5.312
  183   1HB   TRP  24          1HB       TRP  24  -4.968  10.292  -4.197
  184   2HB   TRP  24          2HB       TRP  24  -4.576   9.953  -5.884
  185    HD1  TRP  24           HD1      TRP  24  -7.673  10.258  -3.596
  186    HE1  TRP  24           HE1      TRP  24  -9.692  10.891  -5.061
  187    HE3  TRP  24           HE3      TRP  24  -5.460   9.969  -8.196
  188    HZ2  TRP  24           HZ2      TRP  24 -10.271  11.222  -7.804
  189    HZ3  TRP  24           HZ3      TRP  24  -6.817  10.458 -10.189
  190    HH2  TRP  24           HH2      TRP  24  -9.172  11.070  -9.995
  191    H    LYS  25           H        LYS  25  -2.967   8.486  -3.434
  192    HA   LYS  25           HA       LYS  25  -1.118   7.859  -5.503
  193   1HB   LYS  25          1HB       LYS  25  -0.804   9.281  -3.340
  194   2HB   LYS  25          2HB       LYS  25  -0.428   7.723  -2.586
  195   1HG   LYS  25          1HG       LYS  25   1.024   8.076  -5.071
  196   2HG   LYS  25          2HG       LYS  25   1.336   9.389  -3.920
  197   1HD   LYS  25          1HD       LYS  25   1.578   7.401  -2.202
  198   2HD   LYS  25          2HD       LYS  25   1.914   6.474  -3.676
  199   1HE   LYS  25          1HE       LYS  25   3.346   9.036  -3.529
  200   2HE   LYS  25          2HE       LYS  25   3.764   7.892  -2.245
  201   1HZ   LYS  25          1HZ       LYS  25   3.641   6.831  -4.957
  202   2HZ   LYS  25          2HZ       LYS  25   4.702   6.454  -3.695
  203   3HZ   LYS  25          3HZ       LYS  25   4.934   7.863  -4.602
  204    H    GLN  26           H        GLN  26  -2.828   5.992  -3.146
  205    HA   GLN  26           HA       GLN  26  -1.101   3.728  -3.140
  206   1HB   GLN  26          1HB       GLN  26  -3.051   4.467  -1.506
  207   2HB   GLN  26          2HB       GLN  26  -4.021   3.453  -2.586
  208   1HG   GLN  26          1HG       GLN  26  -2.901   1.509  -2.008
  209   2HG   GLN  26          2HG       GLN  26  -1.489   2.391  -1.412
  210   1HE2  GLN  26          1HE2      GLN  26  -2.336   4.102   0.367
  211   2HE2  GLN  26          2HE2      GLN  26  -3.203   3.343   1.654
  212    H    GLN  27           H        GLN  27  -3.600   4.862  -5.245
  213    HA   GLN  27           HA       GLN  27  -4.385   2.463  -6.453
  214   1HB   GLN  27          1HB       GLN  27  -4.771   5.262  -6.883
  215   2HB   GLN  27          2HB       GLN  27  -4.351   4.506  -8.429
  216   1HG   GLN  27          1HG       GLN  27  -6.148   2.750  -7.789
  217   2HG   GLN  27          2HG       GLN  27  -6.701   3.994  -6.660
  218   1HE2  GLN  27          1HE2      GLN  27  -6.267   6.282  -8.092
  219   2HE2  GLN  27          2HE2      GLN  27  -7.293   6.304  -9.482
  220    H    ASN  28           H        ASN  28  -1.555   4.457  -6.902
  221    HA   ASN  28           HA       ASN  28  -0.724   3.172  -9.334
  222   1HB   ASN  28          1HB       ASN  28  -0.084   5.492  -8.842
  223   2HB   ASN  28          2HB       ASN  28   0.822   4.941  -7.427
  224   1HD2  ASN  28          1HD2      ASN  28   2.648   5.980  -8.407
  225   2HD2  ASN  28          2HD2      ASN  28   3.550   5.159  -9.630
  226    H    LEU  29           H        LEU  29   0.198   2.981  -5.918
  227    HA   LEU  29           HA       LEU  29   2.343   1.239  -6.116
  228   1HB   LEU  29          1HB       LEU  29   0.862   2.382  -4.073
  229   2HB   LEU  29          2HB       LEU  29   0.622   0.639  -3.851
  230    HG   LEU  29           HG       LEU  29   3.175   2.212  -3.704
  231   1HD1  LEU  29          1HD1      LEU  29   3.361   1.171  -1.538
  232   2HD1  LEU  29          2HD1      LEU  29   1.925   0.195  -1.845
  233   3HD1  LEU  29          3HD1      LEU  29   1.782   1.945  -1.682
  234   1HD2  LEU  29          1HD2      LEU  29   4.061  -0.264  -3.301
  235   2HD2  LEU  29          2HD2      LEU  29   4.069   0.495  -4.893
  236   3HD2  LEU  29          3HD2      LEU  29   2.780  -0.628  -4.457
  237    H    LYS  30           H        LYS  30  -1.112   0.550  -6.094
  238    HA   LYS  30           HA       LYS  30  -1.012  -2.225  -5.818
  239   1HB   LYS  30          1HB       LYS  30  -3.110  -1.087  -5.628
  240   2HB   LYS  30          2HB       LYS  30  -2.973  -0.452  -7.276
  241   1HG   LYS  30          1HG       LYS  30  -2.963  -3.406  -6.929
  242   2HG   LYS  30          2HG       LYS  30  -4.491  -2.537  -6.697
  243   1HD   LYS  30          1HD       LYS  30  -4.761  -2.255  -8.894
  244   2HD   LYS  30          2HD       LYS  30  -3.124  -1.594  -9.059
  245   1HE   LYS  30          1HE       LYS  30  -2.239  -3.568  -9.730
  246   2HE   LYS  30          2HE       LYS  30  -3.270  -4.504  -8.639
  247   1HZ   LYS  30          1HZ       LYS  30  -5.136  -3.896 -10.248
  248   2HZ   LYS  30          2HZ       LYS  30  -4.020  -5.064 -10.747
  249   3HZ   LYS  30          3HZ       LYS  30  -3.907  -3.482 -11.333
  250    H    LYS  31           H        LYS  31  -0.926  -0.227  -8.752
  251    HA   LYS  31           HA       LYS  31  -0.649  -2.496 -10.491
  252   1HB   LYS  31          1HB       LYS  31  -1.726  -0.333 -11.153
  253   2HB   LYS  31          2HB       LYS  31  -0.121   0.415 -11.110
  254   1HG   LYS  31          1HG       LYS  31   0.638  -1.201 -12.835
  255   2HG   LYS  31          2HG       LYS  31  -1.027  -1.800 -12.936
  256   1HD   LYS  31          1HD       LYS  31  -0.801   1.118 -13.162
  257   2HD   LYS  31          2HD       LYS  31   0.018   0.224 -14.454
  258   1HE   LYS  31          1HE       LYS  31  -2.623  -0.861 -13.838
  259   2HE   LYS  31          2HE       LYS  31  -2.672   0.832 -14.346
  260   1HZ   LYS  31          1HZ       LYS  31  -2.840  -0.454 -16.292
  261   2HZ   LYS  31          2HZ       LYS  31  -1.564  -1.471 -15.842
  262   3HZ   LYS  31          3HZ       LYS  31  -1.252   0.134 -16.280
  263    H    GLU  32           H        GLU  32   1.489  -0.406  -8.745
  264    HA   GLU  32           HA       GLU  32   3.831  -0.660 -10.239
  265   1HB   GLU  32          1HB       GLU  32   3.557   0.895  -8.345
  266   2HB   GLU  32          2HB       GLU  32   3.564  -0.483  -7.233
  267   1HG   GLU  32          1HG       GLU  32   5.727   0.528  -7.191
  268   2HG   GLU  32          2HG       GLU  32   5.849  -1.040  -8.001
  269    HE2  GLU  32           HE2      GLU  32   6.908   2.152  -9.970
  270    H    LYS  33           H        LYS  33   2.386  -2.810  -7.855
  271    HA   LYS  33           HA       LYS  33   4.156  -4.946  -8.774
  272   1HB   LYS  33          1HB       LYS  33   3.671  -4.469  -5.830
  273   2HB   LYS  33          2HB       LYS  33   4.777  -5.638  -6.571
  274   1HG   LYS  33          1HG       LYS  33   6.224  -3.877  -7.347
  275   2HG   LYS  33          2HG       LYS  33   5.078  -2.649  -6.781
  276   1HD   LYS  33          1HD       LYS  33   5.905  -2.708  -4.710
  277   2HD   LYS  33          2HD       LYS  33   5.764  -4.473  -4.650
  278   1HE   LYS  33          1HE       LYS  33   8.094  -3.704  -4.343
  279   2HE   LYS  33          2HE       LYS  33   7.890  -4.727  -5.773
  280   1HZ   LYS  33          1HZ       LYS  33   7.811  -2.723  -7.142
  281   2HZ   LYS  33          2HZ       LYS  33   9.265  -2.827  -6.283
  282   3HZ   LYS  33          3HZ       LYS  33   8.055  -1.761  -5.771
  283    H    LEU  34           H        LEU  34   1.758  -4.512  -6.169
  284    HA   LEU  34           HA       LEU  34  -0.328  -5.876  -7.465
  285   1HB   LEU  34          1HB       LEU  34  -0.218  -8.041  -6.755
  286   2HB   LEU  34          2HB       LEU  34   1.507  -7.680  -6.941
  287    HG   LEU  34           HG       LEU  34  -0.005  -7.636  -4.329
  288   1HD1  LEU  34          1HD1      LEU  34   2.044  -9.598  -4.428
  289   2HD1  LEU  34          2HD1      LEU  34   1.001  -9.817  -5.833
  290   3HD1  LEU  34          3HD1      LEU  34   0.309  -9.824  -4.212
  291   1HD2  LEU  34          1HD2      LEU  34   1.795  -6.118  -4.160
  292   2HD2  LEU  34          2HD2      LEU  34   2.882  -7.188  -5.048
  293   3HD2  LEU  34          3HD2      LEU  34   2.358  -7.617  -3.419
  294    H    LEU  35           H        LEU  35  -1.970  -6.725  -5.716
  295    HA   LEU  35           HA       LEU  35  -1.858  -5.528  -3.134
  296   1HB   LEU  35          1HB       LEU  35  -2.255  -3.520  -4.511
  297   2HB   LEU  35          2HB       LEU  35  -3.724  -4.279  -5.148
  298    HG   LEU  35           HG       LEU  35  -4.496  -4.349  -2.685
  299   1HD1  LEU  35          1HD1      LEU  35  -2.907  -1.932  -2.206
  300   2HD1  LEU  35          2HD1      LEU  35  -1.988  -3.437  -2.187
  301   3HD1  LEU  35          3HD1      LEU  35  -3.366  -3.231  -1.105
  302   1HD2  LEU  35          1HD2      LEU  35  -5.697  -2.433  -3.045
  303   2HD2  LEU  35          2HD2      LEU  35  -5.141  -2.768  -4.685
  304   3HD2  LEU  35          3HD2      LEU  35  -4.316  -1.557  -3.702
  305    H    PHE  36           H        PHE  36  -2.902  -6.943  -1.918
  306    HA   PHE  36           HA       PHE  36  -5.586  -7.720  -2.404
  307   1HB   PHE  36          1HB       PHE  36  -3.495  -9.385  -3.534
  308   2HB   PHE  36          2HB       PHE  36  -4.451 -10.278  -2.350
  309    HD1  PHE  36           HD1      PHE  36  -7.112  -9.656  -2.584
  310    HD2  PHE  36           HD2      PHE  36  -4.212  -9.663  -5.699
  311    HE1  PHE  36           HE1      PHE  36  -8.898  -9.996  -4.241
  312    HE2  PHE  36           HE2      PHE  36  -5.992 -10.002  -7.361
  313    HZ   PHE  36           HZ       PHE  36  -8.339 -10.168  -6.634
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1 -10.627  -9.933   4.686
    2   2H    MET   1          2H        MET   1  -9.669  -8.619   4.380
    3   3H    MET   1          3H        MET   1  -9.404 -10.040   3.574
    4    HA   MET   1           HA       MET   1  -9.087  -9.596   6.431
    5   1HB   MET   1          1HB       MET   1  -8.464 -12.033   4.743
    6   2HB   MET   1          2HB       MET   1  -8.163 -11.863   6.479
    7   1HG   MET   1          1HG       MET   1 -10.381 -12.069   7.043
    8   2HG   MET   1          2HG       MET   1 -10.934 -11.487   5.470
    9   1HE   MET   1          1HE       MET   1  -9.205 -14.036   7.438
   10   2HE   MET   1          2HE       MET   1 -10.017 -15.539   6.997
   11   3HE   MET   1          3HE       MET   1  -8.543 -15.054   6.158
   12    H    LEU   2           H        LEU   2  -7.448  -8.193   6.605
   13    HA   LEU   2           HA       LEU   2  -4.902  -8.894   5.393
   14   1HB   LEU   2          1HB       LEU   2  -5.875  -7.435   3.722
   15   2HB   LEU   2          2HB       LEU   2  -6.235  -6.224   4.965
   16    HG   LEU   2           HG       LEU   2  -3.687  -6.129   5.322
   17   1HD1  LEU   2          1HD1      LEU   2  -3.022  -6.679   2.631
   18   2HD1  LEU   2          2HD1      LEU   2  -3.838  -8.103   3.278
   19   3HD1  LEU   2          3HD1      LEU   2  -2.413  -7.458   4.092
   20   1HD2  LEU   2          1HD2      LEU   2  -3.465  -4.612   3.297
   21   2HD2  LEU   2          2HD2      LEU   2  -4.773  -4.246   4.422
   22   3HD2  LEU   2          3HD2      LEU   2  -5.121  -5.073   2.902
   23    H    SER   3           H        SER   3  -3.786  -9.130   7.234
   24    HA   SER   3           HA       SER   3  -4.221  -7.632   9.590
   25   1HB   SER   3          1HB       SER   3  -1.556  -8.635   9.602
   26   2HB   SER   3          2HB       SER   3  -2.983  -9.305  10.414
   27    HG   SER   3           HG       SER   3  -1.925  -9.953   7.882
   28    H    ASP   4           H        ASP   4  -3.159  -5.893  10.460
   29    HA   ASP   4           HA       ASP   4  -2.054  -4.006   8.662
   30   1HB   ASP   4          1HB       ASP   4  -1.692  -3.849  11.646
   31   2HB   ASP   4          2HB       ASP   4  -1.942  -2.538  10.487
   32    HD2  ASP   4           HD2      ASP   4  -5.424  -3.731  10.315
   33    H    GLU   5           H        GLU   5  -0.637  -6.207  11.029
   34    HA   GLU   5           HA       GLU   5   1.978  -5.255  11.031
   35   1HB   GLU   5          1HB       GLU   5   2.626  -7.580  11.666
   36   2HB   GLU   5          2HB       GLU   5   1.298  -6.913  12.628
   37   1HG   GLU   5          1HG       GLU   5   0.582  -8.507  10.226
   38   2HG   GLU   5          2HG       GLU   5   1.237  -9.366  11.628
   39    HE2  GLU   5           HE2      GLU   5  -1.896  -7.385  12.860
   40    H    ASP   6           H        ASP   6   0.309  -7.311   8.731
   41    HA   ASP   6           HA       ASP   6   2.713  -7.901   7.240
   42   1HB   ASP   6          1HB       ASP   6   0.553  -9.355   7.501
   43   2HB   ASP   6          2HB       ASP   6  -0.058  -8.349   6.182
   44    HD2  ASP   6           HD2      ASP   6   1.499 -10.452   3.989
   45    H    PHE   7           H        PHE   7   0.256  -5.487   7.252
   46    HA   PHE   7           HA       PHE   7   0.199  -4.617   4.633
   47   1HB   PHE   7          1HB       PHE   7  -1.213  -3.730   6.479
   48   2HB   PHE   7          2HB       PHE   7   0.191  -2.854   7.091
   49    HD1  PHE   7           HD2      PHE   7   1.262  -1.086   5.654
   50    HD2  PHE   7           HD1      PHE   7  -2.520  -2.816   4.748
   51    HE1  PHE   7           HE2      PHE   7   0.748   0.817   4.183
   52    HE2  PHE   7           HE1      PHE   7  -3.040  -0.916   3.273
   53    HZ   PHE   7           HZ       PHE   7  -1.405   0.904   2.990
   54    H    LYS   8           H        LYS   8   2.506  -3.737   7.182
   55    HA   LYS   8           HA       LYS   8   4.029  -1.985   5.533
   56   1HB   LYS   8          1HB       LYS   8   3.916  -2.025   8.084
   57   2HB   LYS   8          2HB       LYS   8   5.036  -3.393   8.001
   58   1HG   LYS   8          1HG       LYS   8   6.172  -1.418   6.375
   59   2HG   LYS   8          2HG       LYS   8   5.580  -0.579   7.819
   60   1HD   LYS   8          1HD       LYS   8   7.637  -1.197   8.593
   61   2HD   LYS   8          2HD       LYS   8   6.718  -2.647   9.034
   62   1HE   LYS   8          1HE       LYS   8   7.876  -2.595   6.301
   63   2HE   LYS   8          2HE       LYS   8   9.014  -2.726   7.650
   64   1HZ   LYS   8          1HZ       LYS   8   7.950  -4.691   8.409
   65   2HZ   LYS   8          2HZ       LYS   8   8.217  -4.886   6.751
   66   3HZ   LYS   8          3HZ       LYS   8   6.668  -4.511   7.318
   67    H    ALA   9           H        ALA   9   3.962  -5.400   5.989
   68    HA   ALA   9           HA       ALA   9   6.617  -5.953   5.102
   69   1HB   ALA   9          1HB       ALA   9   4.203  -7.762   5.135
   70   2HB   ALA   9          2HB       ALA   9   5.885  -8.267   4.964
   71   3HB   ALA   9          3HB       ALA   9   5.334  -7.533   6.470
   72    H    VAL  10           H        VAL  10   3.450  -5.848   3.526
   73    HA   VAL  10           HA       VAL  10   4.503  -6.637   0.967
   74    HB   VAL  10           HB       VAL  10   1.807  -5.644   1.862
   75   1HG1  VAL  10          1HG1      VAL  10   2.712  -6.273  -0.944
   76   2HG1  VAL  10          2HG1      VAL  10   1.027  -6.099  -0.451
   77   3HG1  VAL  10          3HG1      VAL  10   2.127  -4.724  -0.337
   78   1HG2  VAL  10          1HG2      VAL  10   2.654  -8.023   2.282
   79   2HG2  VAL  10          2HG2      VAL  10   1.075  -7.842   1.519
   80   3HG2  VAL  10          3HG2      VAL  10   2.484  -8.254   0.543
   81    H    PHE  11           H        PHE  11   3.572  -3.628   2.542
   82    HA   PHE  11           HA       PHE  11   3.668  -1.933   0.317
   83   1HB   PHE  11          1HB       PHE  11   3.537  -1.665   3.197
   84   2HB   PHE  11          2HB       PHE  11   4.606  -0.442   2.508
   85    HD1  PHE  11           HD2      PHE  11   1.576  -1.912   0.958
   86    HD2  PHE  11           HD1      PHE  11   3.368   1.522   2.723
   87    HE1  PHE  11           HE2      PHE  11  -0.367  -0.558   0.291
   88    HE2  PHE  11           HE1      PHE  11   1.428   2.881   2.059
   89    HZ   PHE  11           HZ       PHE  11  -0.443   1.841   0.840
   90    H    GLY  12           H        GLY  12   6.216  -2.938   2.568
   91   1HA   GLY  12          1HA       GLY  12   8.481  -3.216   1.999
   92   2HA   GLY  12          2HA       GLY  12   8.206  -2.277   0.539
   93    H    MET  13           H        MET  13   6.818  -0.162   2.131
   94    HA   MET  13           HA       MET  13   9.210   1.032   3.372
   95   1HB   MET  13          1HB       MET  13   8.407   1.986   1.125
   96   2HB   MET  13          2HB       MET  13   7.031   2.625   2.037
   97   1HG   MET  13          1HG       MET  13   8.662   4.360   1.836
   98   2HG   MET  13          2HG       MET  13   8.615   3.818   3.515
   99   1HE   MET  13          1HE       MET  13  10.374   4.961   0.870
  100   2HE   MET  13          2HE       MET  13  11.676   5.320   2.006
  101   3HE   MET  13          3HE       MET  13  11.941   4.169   0.694
  102    H    THR  14           H        THR  14   8.776   2.639   5.044
  103    HA   THR  14           HA       THR  14   7.211   1.748   7.103
  104    HB   THR  14           HB       THR  14   7.543   4.706   6.792
  105    HG1  THR  14           HG1      THR  14   9.652   4.554   6.689
  106   1HG2  THR  14          1HG2      THR  14   8.337   3.072   9.164
  107   2HG2  THR  14          2HG2      THR  14   6.626   3.351   8.843
  108   3HG2  THR  14          3HG2      THR  14   7.711   4.718   9.093
  109    H    ARG  15           H        ARG  15   5.106   1.260   6.894
  110    HA   ARG  15           HA       ARG  15   3.241   2.454   5.233
  111   1HB   ARG  15          1HB       ARG  15   1.594   1.246   6.368
  112   2HB   ARG  15          2HB       ARG  15   3.064   0.290   6.613
  113   1HG   ARG  15          1HG       ARG  15   2.368   0.270   8.754
  114   2HG   ARG  15          2HG       ARG  15   3.177   1.846   8.796
  115   1HD   ARG  15          1HD       ARG  15   0.930   1.948   9.795
  116   2HD   ARG  15          2HD       ARG  15   1.072   2.973   8.359
  117    HE   ARG  15           HE       ARG  15  -0.456   1.638   7.276
  118   1HH1  ARG  15          1HH1      ARG  15   0.593   0.085  10.211
  119   2HH1  ARG  15          2HH1      ARG  15  -0.613  -1.156  10.139
  120   1HH2  ARG  15          1HH2      ARG  15  -2.049   0.009   7.170
  121   2HH2  ARG  15          2HH2      ARG  15  -2.114  -1.200   8.408
  122    H    SER  16           H        SER  16   4.465   3.511   8.300
  123    HA   SER  16           HA       SER  16   2.367   5.288   8.985
  124   1HB   SER  16          1HB       SER  16   3.728   4.811  10.801
  125   2HB   SER  16          2HB       SER  16   5.214   4.935   9.844
  126    HG   SER  16           HG       SER  16   3.792   6.902  11.154
  127    H    ALA  17           H        ALA  17   5.443   5.739   7.279
  128    HA   ALA  17           HA       ALA  17   5.083   8.538   6.872
  129   1HB   ALA  17          1HB       ALA  17   7.009   8.393   5.416
  130   2HB   ALA  17          2HB       ALA  17   7.296   7.456   6.882
  131   3HB   ALA  17          3HB       ALA  17   6.881   6.634   5.378
  132    H    PHE  18           H        PHE  18   4.291   5.651   5.041
  133    HA   PHE  18           HA       PHE  18   3.596   7.056   2.643
  134   1HB   PHE  18          1HB       PHE  18   3.686   4.279   3.564
  135   2HB   PHE  18          2HB       PHE  18   2.303   4.611   2.520
  136    HD1  PHE  18           HD1      PHE  18   5.714   6.074   2.386
  137    HD2  PHE  18           HD2      PHE  18   2.818   3.589   0.503
  138    HE1  PHE  18           HE1      PHE  18   7.152   5.912   0.395
  139    HE2  PHE  18           HE2      PHE  18   4.252   3.422  -1.490
  140    HZ   PHE  18           HZ       PHE  18   6.422   4.584  -1.545
  141    H    ALA  19           H        ALA  19   1.872   5.868   5.464
  142    HA   ALA  19           HA       ALA  19  -0.753   6.113   4.550
  143   1HB   ALA  19          1HB       ALA  19  -1.385   6.274   6.912
  144   2HB   ALA  19          2HB       ALA  19  -0.192   5.003   6.639
  145   3HB   ALA  19          3HB       ALA  19   0.305   6.541   7.342
  146    H    ASN  20           H        ASN  20   1.568   8.531   5.284
  147    HA   ASN  20           HA       ASN  20  -0.090  10.664   6.034
  148   1HB   ASN  20          1HB       ASN  20   2.630  10.453   4.781
  149   2HB   ASN  20          2HB       ASN  20   1.846  12.034   4.901
  150   1HD2  ASN  20          1HD2      ASN  20   1.787   9.291   7.130
  151   2HD2  ASN  20          2HD2      ASN  20   2.461  10.143   8.472
  152    H    LEU  21           H        LEU  21   0.287   9.075   3.036
  153    HA   LEU  21           HA       LEU  21  -0.873  11.322   1.552
  154   1HB   LEU  21          1HB       LEU  21   0.853   9.057   0.886
  155   2HB   LEU  21          2HB       LEU  21  -0.481   9.287  -0.256
  156    HG   LEU  21           HG       LEU  21   0.285  11.421  -0.891
  157   1HD1  LEU  21          1HD1      LEU  21   0.755  12.321   1.312
  158   2HD1  LEU  21          2HD1      LEU  21   2.131  12.577   0.240
  159   3HD1  LEU  21          3HD1      LEU  21   2.184  11.294   1.449
  160   1HD2  LEU  21          1HD2      LEU  21   1.995   9.165  -1.013
  161   2HD2  LEU  21          2HD2      LEU  21   3.003  10.591  -0.769
  162   3HD2  LEU  21          3HD2      LEU  21   1.886  10.522  -2.133
  163    HA   PRO  22           HA       PRO  22  -4.880   9.560   1.254
  164   1HB   PRO  22          1HB       PRO  22  -5.592  10.138  -1.327
  165   2HB   PRO  22          2HB       PRO  22  -5.469  11.354  -0.057
  166   1HG   PRO  22          1HG       PRO  22  -3.470  10.592  -2.159
  167   2HG   PRO  22          2HG       PRO  22  -3.990  12.234  -1.621
  168   1HD   PRO  22          1HD       PRO  22  -1.664  11.094  -0.807
  169   2HD   PRO  22          2HD       PRO  22  -2.618  12.170   0.229
  170    H    LEU  23           H        LEU  23  -6.167   7.877   0.300
  171    HA   LEU  23           HA       LEU  23  -4.724   5.552  -0.335
  172   1HB   LEU  23          1HB       LEU  23  -7.556   6.346  -0.138
  173   2HB   LEU  23          2HB       LEU  23  -7.226   4.978  -1.216
  174    HG   LEU  23           HG       LEU  23  -7.859   4.261   1.046
  175   1HD1  LEU  23          1HD1      LEU  23  -4.978   3.553   0.788
  176   2HD1  LEU  23          2HD1      LEU  23  -6.086   3.116  -0.512
  177   3HD1  LEU  23          3HD1      LEU  23  -6.370   2.523   1.125
  178   1HD2  LEU  23          1HD2      LEU  23  -5.277   5.071   2.209
  179   2HD2  LEU  23          2HD2      LEU  23  -6.878   4.980   2.943
  180   3HD2  LEU  23          3HD2      LEU  23  -6.441   6.371   1.950
  181    H    TRP  24           H        TRP  24  -5.844   8.135  -2.290
  182    HA   TRP  24           HA       TRP  24  -6.258   6.921  -4.751
  183   1HB   TRP  24          1HB       TRP  24  -5.915   9.570  -3.764
  184   2HB   TRP  24          2HB       TRP  24  -4.847   9.381  -5.156
  185    HD1  TRP  24           HD1      TRP  24  -8.478   9.802  -4.268
  186    HE1  TRP  24           HE1      TRP  24  -9.886   9.893  -6.421
  187    HE3  TRP  24           HE3      TRP  24  -4.911   8.361  -7.634
  188    HZ2  TRP  24           HZ2      TRP  24  -9.533   9.416  -9.180
  189    HZ3  TRP  24           HZ3      TRP  24  -5.526   8.202 -10.011
  190    HH2  TRP  24           HH2      TRP  24  -7.791   8.718 -10.767
  191    H    LYS  25           H        LYS  25  -3.232   7.952  -3.235
  192    HA   LYS  25           HA       LYS  25  -1.586   7.297  -5.464
  193   1HB   LYS  25          1HB       LYS  25  -1.117   8.846  -3.417
  194   2HB   LYS  25          2HB       LYS  25  -0.576   7.350  -2.641
  195   1HG   LYS  25          1HG       LYS  25   0.502   8.126  -5.327
  196   2HG   LYS  25          2HG       LYS  25   1.149   8.853  -3.845
  197   1HD   LYS  25          1HD       LYS  25   0.945   6.036  -3.434
  198   2HD   LYS  25          2HD       LYS  25   1.759   6.323  -4.982
  199   1HE   LYS  25          1HE       LYS  25   2.642   8.036  -2.736
  200   2HE   LYS  25          2HE       LYS  25   3.020   6.313  -2.593
  201   1HZ   LYS  25          1HZ       LYS  25   3.757   8.079  -4.865
  202   2HZ   LYS  25          2HZ       LYS  25   4.072   6.419  -4.787
  203   3HZ   LYS  25          3HZ       LYS  25   4.810   7.472  -3.687
  204    H    GLN  26           H        GLN  26  -2.939   5.491  -2.842
  205    HA   GLN  26           HA       GLN  26  -1.112   3.312  -2.899
  206   1HB   GLN  26          1HB       GLN  26  -2.932   4.047  -1.122
  207   2HB   GLN  26          2HB       GLN  26  -3.947   2.931  -2.049
  208   1HG   GLN  26          1HG       GLN  26  -2.560   1.084  -1.567
  209   2HG   GLN  26          2HG       GLN  26  -1.271   2.130  -0.956
  210   1HE2  GLN  26          1HE2      GLN  26  -2.143   3.647   0.871
  211   2HE2  GLN  26          2HE2      GLN  26  -3.009   2.831   2.123
  212    H    GLN  27           H        GLN  27  -3.837   4.220  -4.819
  213    HA   GLN  27           HA       GLN  27  -4.624   1.727  -5.817
  214   1HB   GLN  27          1HB       GLN  27  -5.238   4.444  -6.300
  215   2HB   GLN  27          2HB       GLN  27  -4.805   3.733  -7.865
  216   1HG   GLN  27          1HG       GLN  27  -6.463   1.970  -7.549
  217   2HG   GLN  27          2HG       GLN  27  -6.889   2.659  -5.976
  218   1HE2  GLN  27          1HE2      GLN  27  -8.329   4.272  -5.873
  219   2HE2  GLN  27          2HE2      GLN  27  -9.056   5.033  -7.241
  220    H    ASN  28           H        ASN  28  -1.947   3.813  -6.652
  221    HA   ASN  28           HA       ASN  28  -1.278   2.360  -9.050
  222   1HB   ASN  28          1HB       ASN  28  -0.801   4.791  -8.764
  223   2HB   ASN  28          2HB       ASN  28   0.384   4.373  -7.520
  224   1HD2  ASN  28          1HD2      ASN  28   1.712   5.639  -9.109
  225   2HD2  ASN  28          2HD2      ASN  28   2.512   4.742 -10.350
  226    H    LEU  29           H        LEU  29  -0.008   2.600  -5.750
  227    HA   LEU  29           HA       LEU  29   2.241   1.003  -6.004
  228   1HB   LEU  29          1HB       LEU  29   0.882   2.249  -3.937
  229   2HB   LEU  29          2HB       LEU  29   0.808   0.527  -3.519
  230    HG   LEU  29           HG       LEU  29   3.226   2.283  -3.803
  231   1HD1  LEU  29          1HD1      LEU  29   2.337   0.393  -1.631
  232   2HD1  LEU  29          2HD1      LEU  29   2.067   2.136  -1.626
  233   3HD1  LEU  29          3HD1      LEU  29   3.710   1.498  -1.578
  234   1HD2  LEU  29          1HD2      LEU  29   4.349  -0.065  -3.256
  235   2HD2  LEU  29          2HD2      LEU  29   4.134   0.517  -4.907
  236   3HD2  LEU  29          3HD2      LEU  29   2.992  -0.642  -4.224
  237    H    LYS  30           H        LYS  30  -1.109   0.050  -5.356
  238    HA   LYS  30           HA       LYS  30  -0.674  -2.681  -4.950
  239   1HB   LYS  30          1HB       LYS  30  -2.795  -1.615  -4.418
  240   2HB   LYS  30          2HB       LYS  30  -3.073  -1.272  -6.133
  241   1HG   LYS  30          1HG       LYS  30  -3.419  -3.543  -6.655
  242   2HG   LYS  30          2HG       LYS  30  -2.757  -4.072  -5.098
  243   1HD   LYS  30          1HD       LYS  30  -5.066  -4.301  -4.815
  244   2HD   LYS  30          2HD       LYS  30  -4.696  -2.747  -4.047
  245   1HE   LYS  30          1HE       LYS  30  -6.425  -2.006  -5.304
  246   2HE   LYS  30          2HE       LYS  30  -5.183  -1.915  -6.561
  247   1HZ   LYS  30          1HZ       LYS  30  -7.252  -3.984  -6.172
  248   2HZ   LYS  30          2HZ       LYS  30  -5.858  -4.311  -7.074
  249   3HZ   LYS  30          3HZ       LYS  30  -6.908  -3.076  -7.558
  250    H    LYS  31           H        LYS  31  -0.979  -0.806  -7.898
  251    HA   LYS  31           HA       LYS  31  -1.120  -3.109  -9.614
  252   1HB   LYS  31          1HB       LYS  31  -2.120  -0.875 -10.163
  253   2HB   LYS  31          2HB       LYS  31  -0.475  -0.254 -10.366
  254   1HG   LYS  31          1HG       LYS  31  -0.172  -1.269 -12.361
  255   2HG   LYS  31          2HG       LYS  31  -1.145  -2.679 -11.904
  256   1HD   LYS  31          1HD       LYS  31  -3.182  -1.566 -12.353
  257   2HD   LYS  31          2HD       LYS  31  -2.380   0.013 -12.422
  258   1HE   LYS  31          1HE       LYS  31  -1.833  -2.231 -14.374
  259   2HE   LYS  31          2HE       LYS  31  -3.018  -0.946 -14.649
  260   1HZ   LYS  31          1HZ       LYS  31  -0.103  -0.815 -14.678
  261   2HZ   LYS  31          2HZ       LYS  31  -0.924   0.536 -14.077
  262   3HZ   LYS  31          3HZ       LYS  31  -1.232  -0.011 -15.649
  263    H    GLU  32           H        GLU  32   1.376  -1.145  -8.231
  264    HA   GLU  32           HA       GLU  32   3.465  -1.612 -10.029
  265   1HB   GLU  32          1HB       GLU  32   3.550   0.026  -8.180
  266   2HB   GLU  32          2HB       GLU  32   3.647  -1.313  -7.026
  267   1HG   GLU  32          1HG       GLU  32   5.799  -1.912  -7.689
  268   2HG   GLU  32          2HG       GLU  32   5.667  -1.022  -9.213
  269    HE2  GLU  32           HE2      GLU  32   5.819   1.777  -6.572
  270    H    LYS  33           H        LYS  33   2.187  -3.579  -7.413
  271    HA   LYS  33           HA       LYS  33   3.857  -5.805  -8.358
  272   1HB   LYS  33          1HB       LYS  33   3.276  -5.159  -5.457
  273   2HB   LYS  33          2HB       LYS  33   4.182  -6.559  -6.049
  274   1HG   LYS  33          1HG       LYS  33   6.031  -5.298  -6.643
  275   2HG   LYS  33          2HG       LYS  33   5.092  -3.798  -6.733
  276   1HD   LYS  33          1HD       LYS  33   5.315  -3.363  -4.531
  277   2HD   LYS  33          2HD       LYS  33   5.112  -5.065  -4.083
  278   1HE   LYS  33          1HE       LYS  33   7.506  -5.301  -5.186
  279   2HE   LYS  33          2HE       LYS  33   7.588  -3.574  -4.806
  280   1HZ   LYS  33          1HZ       LYS  33   7.824  -5.806  -3.061
  281   2HZ   LYS  33          2HZ       LYS  33   6.607  -4.758  -2.531
  282   3HZ   LYS  33          3HZ       LYS  33   8.178  -4.178  -2.769
  283    H    LEU  34           H        LEU  34   1.252  -5.193  -5.995
  284    HA   LEU  34           HA       LEU  34   0.022  -7.682  -6.234
  285   1HB   LEU  34          1HB       LEU  34  -0.578  -5.105  -5.042
  286   2HB   LEU  34          2HB       LEU  34  -2.032  -5.889  -5.683
  287    HG   LEU  34           HG       LEU  34  -1.699  -6.371  -3.306
  288   1HD1  LEU  34          1HD1      LEU  34  -2.908  -8.017  -4.483
  289   2HD1  LEU  34          2HD1      LEU  34  -1.726  -8.892  -3.511
  290   3HD1  LEU  34          3HD1      LEU  34  -1.449  -8.661  -5.237
  291   1HD2  LEU  34          1HD2      LEU  34   0.740  -6.247  -3.250
  292   2HD2  LEU  34          2HD2      LEU  34   0.843  -7.725  -4.210
  293   3HD2  LEU  34          3HD2      LEU  34   0.163  -7.776  -2.582
  294    H    LEU  35           H        LEU  35  -2.472  -7.688  -6.929
  295    HA   LEU  35           HA       LEU  35  -2.524  -6.774  -9.729
  296   1HB   LEU  35          1HB       LEU  35  -2.952  -9.356  -8.544
  297   2HB   LEU  35          2HB       LEU  35  -4.430  -8.813  -9.355
  298    HG   LEU  35           HG       LEU  35  -2.528  -8.297 -11.251
  299   1HD1  LEU  35          1HD1      LEU  35  -0.757  -9.361 -10.020
  300   2HD1  LEU  35          2HD1      LEU  35  -1.185 -10.368 -11.403
  301   3HD1  LEU  35          3HD1      LEU  35  -1.738 -10.810  -9.788
  302   1HD2  LEU  35          1HD2      LEU  35  -4.077 -10.858 -10.876
  303   2HD2  LEU  35          2HD2      LEU  35  -3.425 -10.242 -12.395
  304   3HD2  LEU  35          3HD2      LEU  35  -4.714  -9.366 -11.569
  305    H    PHE  36           H        PHE  36  -5.039  -6.999 -10.464
  306    HA   PHE  36           HA       PHE  36  -6.331  -4.789  -9.350
  307   1HB   PHE  36          1HB       PHE  36  -7.611  -7.057 -10.898
  308   2HB   PHE  36          2HB       PHE  36  -8.255  -5.426 -10.704
  309    HD1  PHE  36           HD2      PHE  36  -6.365  -3.550 -11.349
  310    HD2  PHE  36           HD1      PHE  36  -6.722  -7.467 -12.975
  311    HE1  PHE  36           HE2      PHE  36  -5.180  -2.813 -13.376
  312    HE2  PHE  36           HE1      PHE  36  -5.535  -6.737 -15.003
  313    HZ   PHE  36           HZ       PHE  36  -4.764  -4.407 -15.206
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1 -10.020  -7.276   2.782
    2   2H    MET   1          2H        MET   1  -8.640  -6.428   3.122
    3   3H    MET   1          3H        MET   1  -8.637  -7.564   1.918
    4    HA   MET   1           HA       MET   1  -9.016  -8.066   4.758
    5   1HB   MET   1          1HB       MET   1 -10.290  -9.613   3.354
    6   2HB   MET   1          2HB       MET   1  -8.832  -9.973   2.419
    7   1HG   MET   1          1HG       MET   1  -8.374 -10.399   5.242
    8   2HG   MET   1          2HG       MET   1  -9.768 -11.317   4.665
    9   1HE   MET   1          1HE       MET   1  -8.549 -13.488   1.908
   10   2HE   MET   1          2HE       MET   1  -9.106 -14.006   3.499
   11   3HE   MET   1          3HE       MET   1  -9.868 -12.628   2.702
   12    H    LEU   2           H        LEU   2  -7.083  -7.122   5.392
   13    HA   LEU   2           HA       LEU   2  -4.744  -8.724   4.997
   14   1HB   LEU   2          1HB       LEU   2  -4.965  -7.055   2.998
   15   2HB   LEU   2          2HB       LEU   2  -4.400  -5.868   4.187
   16    HG   LEU   2           HG       LEU   2  -2.409  -7.429   4.549
   17   1HD1  LEU   2          1HD1      LEU   2  -3.164  -8.463   1.833
   18   2HD1  LEU   2          2HD1      LEU   2  -3.572  -9.324   3.316
   19   3HD1  LEU   2          3HD1      LEU   2  -1.883  -9.023   2.909
   20   1HD2  LEU   2          1HD2      LEU   2  -2.726  -6.097   1.861
   21   2HD2  LEU   2          2HD2      LEU   2  -1.207  -6.471   2.675
   22   3HD2  LEU   2          3HD2      LEU   2  -2.305  -5.275   3.364
   23    H    SER   3           H        SER   3  -3.827  -8.808   6.929
   24    HA   SER   3           HA       SER   3  -4.537  -7.171   9.085
   25   1HB   SER   3          1HB       SER   3  -2.028  -8.192   9.746
   26   2HB   SER   3          2HB       SER   3  -3.594  -8.959  10.064
   27    HG   SER   3           HG       SER   3  -3.375 -10.197   8.274
   28    H    ASP   4           H        ASP   4  -3.061  -5.800  10.371
   29    HA   ASP   4           HA       ASP   4  -2.058  -3.667   8.826
   30   1HB   ASP   4          1HB       ASP   4  -1.163  -2.810  11.000
   31   2HB   ASP   4          2HB       ASP   4  -2.876  -3.246  11.051
   32    HD2  ASP   4           HD2      ASP   4  -0.346  -5.258  13.301
   33    H    GLU   5           H        GLU   5  -0.482  -6.378  10.440
   34    HA   GLU   5           HA       GLU   5   2.177  -5.478   9.969
   35   1HB   GLU   5          1HB       GLU   5   0.947  -8.101  10.770
   36   2HB   GLU   5          2HB       GLU   5   2.670  -7.996  10.381
   37   1HG   GLU   5          1HG       GLU   5   1.651  -5.985  12.290
   38   2HG   GLU   5          2HG       GLU   5   1.678  -7.663  12.850
   39    HE2  GLU   5           HE2      GLU   5   5.190  -5.987  12.021
   40    H    ASP   6           H        ASP   6  -0.071  -7.545   8.222
   41    HA   ASP   6           HA       ASP   6   1.823  -8.430   6.278
   42   1HB   ASP   6          1HB       ASP   6  -0.445  -9.493   6.951
   43   2HB   ASP   6          2HB       ASP   6  -1.147  -8.332   5.817
   44    HD2  ASP   6           HD2      ASP   6   0.500  -9.946   3.103
   45    H    PHE   7           H        PHE   7  -0.139  -5.611   6.658
   46    HA   PHE   7           HA       PHE   7  -0.315  -4.780   3.977
   47   1HB   PHE   7          1HB       PHE   7  -1.629  -3.828   5.874
   48   2HB   PHE   7          2HB       PHE   7  -0.162  -3.022   6.433
   49    HD1  PHE   7           HD1      PHE   7   0.865  -1.218   5.110
   50    HD2  PHE   7           HD2      PHE   7  -2.863  -2.960   4.021
   51    HE1  PHE   7           HE1      PHE   7   0.401   0.702   3.642
   52    HE2  PHE   7           HE2      PHE   7  -3.332  -1.044   2.551
   53    HZ   PHE   7           HZ       PHE   7  -1.699   0.789   2.359
   54    H    LYS   8           H        LYS   8   2.083  -4.063   6.493
   55    HA   LYS   8           HA       LYS   8   3.681  -2.378   4.860
   56   1HB   LYS   8          1HB       LYS   8   3.725  -2.328   7.331
   57   2HB   LYS   8          2HB       LYS   8   4.467  -3.936   7.331
   58   1HG   LYS   8          1HG       LYS   8   6.476  -3.138   6.395
   59   2HG   LYS   8          2HG       LYS   8   5.732  -1.594   5.943
   60   1HD   LYS   8          1HD       LYS   8   5.750  -0.782   8.115
   61   2HD   LYS   8          2HD       LYS   8   5.828  -2.405   8.820
   62   1HE   LYS   8          1HE       LYS   8   8.074  -1.140   7.234
   63   2HE   LYS   8          2HE       LYS   8   7.950  -1.096   8.998
   64   1HZ   LYS   8          1HZ       LYS   8   7.989  -3.524   9.016
   65   2HZ   LYS   8          2HZ       LYS   8   9.381  -2.891   8.295
   66   3HZ   LYS   8          3HZ       LYS   8   8.154  -3.547   7.333
   67    H    ALA   9           H        ALA   9   3.325  -5.771   5.074
   68    HA   ALA   9           HA       ALA   9   5.930  -6.517   4.180
   69   1HB   ALA   9          1HB       ALA   9   3.341  -8.061   4.056
   70   2HB   ALA   9          2HB       ALA   9   4.959  -8.727   3.825
   71   3HB   ALA   9          3HB       ALA   9   4.490  -8.073   5.394
   72    H    VAL  10           H        VAL  10   2.800  -6.077   2.565
   73    HA   VAL  10           HA       VAL  10   3.875  -6.694  -0.032
   74    HB   VAL  10           HB       VAL  10   1.207  -5.659   0.899
   75   1HG1  VAL  10          1HG1      VAL  10   2.147  -6.061  -1.937
   76   2HG1  VAL  10          2HG1      VAL  10   0.459  -5.867  -1.462
   77   3HG1  VAL  10          3HG1      VAL  10   1.608  -4.555  -1.196
   78   1HG2  VAL  10          1HG2      VAL  10   1.938  -8.104   1.110
   79   2HG2  VAL  10          2HG2      VAL  10   0.386  -7.780   0.339
   80   3HG2  VAL  10          3HG2      VAL  10   1.797  -8.165  -0.647
   81    H    PHE  11           H        PHE  11   3.029  -3.785   1.770
   82    HA   PHE  11           HA       PHE  11   3.265  -1.919  -0.299
   83   1HB   PHE  11          1HB       PHE  11   3.042  -1.886   2.580
   84   2HB   PHE  11          2HB       PHE  11   4.209  -0.674   2.046
   85    HD1  PHE  11           HD1      PHE  11   1.147  -1.823   0.292
   86    HD2  PHE  11           HD2      PHE  11   3.101   1.347   2.355
   87    HE1  PHE  11           HE1      PHE  11  -0.685  -0.299  -0.323
   88    HE2  PHE  11           HE2      PHE  11   1.271   2.876   1.745
   89    HZ   PHE  11           HZ       PHE  11  -0.624   2.054   0.404
   90    H    GLY  12           H        GLY  12   5.702  -3.220   1.922
   91   1HA   GLY  12          1HA       GLY  12   7.967  -3.552   1.388
   92   2HA   GLY  12          2HA       GLY  12   7.775  -2.484   0.006
   93    H    MET  13           H        MET  13   6.436  -0.447   1.734
   94    HA   MET  13           HA       MET  13   8.839   0.527   3.134
   95   1HB   MET  13          1HB       MET  13   8.151   1.701   0.956
   96   2HB   MET  13          2HB       MET  13   6.776   2.326   1.880
   97   1HG   MET  13          1HG       MET  13   8.483   3.995   1.874
   98   2HG   MET  13          2HG       MET  13   8.368   3.312   3.499
   99   1HE   MET  13          1HE       MET  13  11.383   2.066   0.368
  100   2HE   MET  13          2HE       MET  13   9.844   2.896   0.142
  101   3HE   MET  13          3HE       MET  13  11.295   3.820   0.531
  102    H    THR  14           H        THR  14   8.431   2.000   4.928
  103    HA   THR  14           HA       THR  14   6.743   1.013   6.850
  104    HB   THR  14           HB       THR  14   7.077   3.924   7.044
  105    HG1  THR  14           HG1      THR  14   9.457   3.475   7.390
  106   1HG2  THR  14          1HG2      THR  14   7.639   1.495   8.697
  107   2HG2  THR  14          2HG2      THR  14   6.620   2.887   9.064
  108   3HG2  THR  14          3HG2      THR  14   8.375   3.038   9.125
  109    H    ARG  15           H        ARG  15   4.622   0.680   6.513
  110    HA   ARG  15           HA       ARG  15   2.898   2.147   4.924
  111   1HB   ARG  15          1HB       ARG  15   1.146   0.934   5.866
  112   2HB   ARG  15          2HB       ARG  15   2.546  -0.122   6.107
  113   1HG   ARG  15          1HG       ARG  15   2.664   0.324   8.395
  114   2HG   ARG  15          2HG       ARG  15   1.661   1.777   8.244
  115   1HD   ARG  15          1HD       ARG  15   0.749  -1.089   7.907
  116   2HD   ARG  15          2HD       ARG  15   0.372  -0.004   9.253
  117    HE   ARG  15           HE       ARG  15  -0.481   1.201   6.870
  118   1HH1  ARG  15          1HH1      ARG  15  -1.250  -1.506   8.919
  119   2HH1  ARG  15          2HH1      ARG  15  -2.927  -1.525   8.486
  120   1HH2  ARG  15          1HH2      ARG  15  -2.689   1.187   6.293
  121   2HH2  ARG  15          2HH2      ARG  15  -3.744   0.007   6.992
  122    H    SER  16           H        SER  16   4.115   2.864   8.077
  123    HA   SER  16           HA       SER  16   2.098   4.680   8.900
  124   1HB   SER  16          1HB       SER  16   3.867   3.565  10.364
  125   2HB   SER  16          2HB       SER  16   4.996   4.782   9.744
  126    HG   SER  16           HG       SER  16   2.535   5.602  10.824
  127    H    ALA  17           H        ALA  17   5.223   5.118   7.280
  128    HA   ALA  17           HA       ALA  17   5.002   7.957   7.111
  129   1HB   ALA  17          1HB       ALA  17   7.161   6.773   7.071
  130   2HB   ALA  17          2HB       ALA  17   6.746   6.104   5.493
  131   3HB   ALA  17          3HB       ALA  17   6.953   7.844   5.685
  132    H    PHE  18           H        PHE  18   4.126   5.276   5.021
  133    HA   PHE  18           HA       PHE  18   3.548   6.913   2.742
  134   1HB   PHE  18          1HB       PHE  18   3.492   4.067   3.422
  135   2HB   PHE  18          2HB       PHE  18   2.151   4.550   2.382
  136    HD1  PHE  18           HD1      PHE  18   5.627   5.859   2.443
  137    HD2  PHE  18           HD2      PHE  18   2.668   3.679   0.296
  138    HE1  PHE  18           HE1      PHE  18   7.103   5.801   0.476
  139    HE2  PHE  18           HE2      PHE  18   4.140   3.616  -1.675
  140    HZ   PHE  18           HZ       PHE  18   6.361   4.677  -1.587
  141    H    ALA  19           H        ALA  19   1.709   5.571   5.417
  142    HA   ALA  19           HA       ALA  19  -0.880   6.013   4.478
  143   1HB   ALA  19          1HB       ALA  19  -0.426   4.705   6.471
  144   2HB   ALA  19          2HB       ALA  19   0.138   6.148   7.314
  145   3HB   ALA  19          3HB       ALA  19  -1.555   6.009   6.838
  146    H    ASN  20           H        ASN  20   1.528   8.251   5.460
  147    HA   ASN  20           HA       ASN  20  -0.051  10.387   6.357
  148   1HB   ASN  20          1HB       ASN  20   2.684  10.156   5.144
  149   2HB   ASN  20          2HB       ASN  20   1.970  11.756   5.380
  150   1HD2  ASN  20          1HD2      ASN  20   1.738   8.842   7.369
  151   2HD2  ASN  20          2HD2      ASN  20   2.416   9.548   8.793
  152    H    LEU  21           H        LEU  21   0.324   9.041   3.241
  153    HA   LEU  21           HA       LEU  21  -0.703  11.457   1.934
  154   1HB   LEU  21          1HB       LEU  21   0.941   9.181   1.111
  155   2HB   LEU  21          2HB       LEU  21  -0.354   9.569  -0.036
  156    HG   LEU  21           HG       LEU  21   0.518  11.710  -0.468
  157   1HD1  LEU  21          1HD1      LEU  21   0.969  12.402   1.811
  158   2HD1  LEU  21          2HD1      LEU  21   2.385  12.683   0.797
  159   3HD1  LEU  21          3HD1      LEU  21   2.346  11.304   1.895
  160   1HD2  LEU  21          1HD2      LEU  21   2.234  10.992  -1.691
  161   2HD2  LEU  21          2HD2      LEU  21   2.022   9.428  -0.903
  162   3HD2  LEU  21          3HD2      LEU  21   3.184  10.590  -0.261
  163    HA   PRO  22           HA       PRO  22  -4.771   9.904   1.404
  164   1HB   PRO  22          1HB       PRO  22  -5.396  10.730  -1.131
  165   2HB   PRO  22          2HB       PRO  22  -5.253  11.827   0.241
  166   1HG   PRO  22          1HG       PRO  22  -3.238  11.160  -1.879
  167   2HG   PRO  22          2HG       PRO  22  -3.702  12.770  -1.212
  168   1HD   PRO  22          1HD       PRO  22  -1.446  11.465  -0.451
  169   2HD   PRO  22          2HD       PRO  22  -2.378  12.489   0.654
  170    H    LEU  23           H        LEU  23  -6.109   8.372   0.275
  171    HA   LEU  23           HA       LEU  23  -4.732   6.054  -0.546
  172   1HB   LEU  23          1HB       LEU  23  -7.632   6.865  -0.753
  173   2HB   LEU  23          2HB       LEU  23  -7.030   5.269  -1.233
  174    HG   LEU  23           HG       LEU  23  -6.178   5.866   1.446
  175   1HD1  LEU  23          1HD1      LEU  23  -8.089   6.363   2.577
  176   2HD1  LEU  23          2HD1      LEU  23  -9.137   5.663   1.344
  177   3HD1  LEU  23          3HD1      LEU  23  -8.407   7.247   1.083
  178   1HD2  LEU  23          1HD2      LEU  23  -8.146   3.814   0.448
  179   2HD2  LEU  23          2HD2      LEU  23  -7.161   3.739   1.909
  180   3HD2  LEU  23          3HD2      LEU  23  -6.395   3.643   0.322
  181    H    TRP  24           H        TRP  24  -5.655   8.853  -2.248
  182    HA   TRP  24           HA       TRP  24  -6.183   7.920  -4.807
  183   1HB   TRP  24          1HB       TRP  24  -4.886  10.438  -3.778
  184   2HB   TRP  24          2HB       TRP  24  -5.052  10.150  -5.511
  185    HD1  TRP  24           HD1      TRP  24  -7.297  10.514  -2.383
  186    HE1  TRP  24           HE1      TRP  24  -9.597  11.379  -3.148
  187    HE3  TRP  24           HE3      TRP  24  -6.560  10.415  -7.441
  188    HZ2  TRP  24           HZ2      TRP  24 -10.924  11.944  -5.575
  189    HZ3  TRP  24           HZ3      TRP  24  -8.395  11.133  -8.915
  190    HH2  TRP  24           HH2      TRP  24 -10.531  11.881  -7.999
  191    H    LYS  25           H        LYS  25  -3.072   8.521  -3.233
  192    HA   LYS  25           HA       LYS  25  -1.508   7.907  -5.539
  193   1HB   LYS  25          1HB       LYS  25  -0.975   9.166  -3.215
  194   2HB   LYS  25          2HB       LYS  25  -0.309   7.566  -2.851
  195   1HG   LYS  25          1HG       LYS  25   0.421   8.946  -5.407
  196   2HG   LYS  25          2HG       LYS  25   1.219   9.382  -3.886
  197   1HD   LYS  25          1HD       LYS  25   1.238   6.590  -3.910
  198   2HD   LYS  25          2HD       LYS  25   1.615   7.067  -5.576
  199   1HE   LYS  25          1HE       LYS  25   3.025   8.130  -3.116
  200   2HE   LYS  25          2HE       LYS  25   3.626   6.826  -4.149
  201   1HZ   LYS  25          1HZ       LYS  25   4.269   8.256  -5.731
  202   2HZ   LYS  25          2HZ       LYS  25   4.232   9.405  -4.490
  203   3HZ   LYS  25          3HZ       LYS  25   2.919   9.259  -5.548
  204    H    GLN  26           H        GLN  26  -3.003   6.040  -3.047
  205    HA   GLN  26           HA       GLN  26  -1.374   3.733  -3.193
  206   1HB   GLN  26          1HB       GLN  26  -3.639   4.571  -1.740
  207   2HB   GLN  26          2HB       GLN  26  -4.110   3.081  -2.574
  208   1HG   GLN  26          1HG       GLN  26  -2.926   1.810  -1.193
  209   2HG   GLN  26          2HG       GLN  26  -1.494   2.833  -1.378
  210   1HE2  GLN  26          1HE2      GLN  26  -4.615   2.685   0.273
  211   2HE2  GLN  26          2HE2      GLN  26  -4.098   3.507   1.702
  212    H    GLN  27           H        GLN  27  -3.846   4.994  -5.235
  213    HA   GLN  27           HA       GLN  27  -4.770   2.655  -6.462
  214   1HB   GLN  27          1HB       GLN  27  -4.507   5.496  -7.442
  215   2HB   GLN  27          2HB       GLN  27  -5.216   4.216  -8.439
  216   1HG   GLN  27          1HG       GLN  27  -6.291   4.553  -5.693
  217   2HG   GLN  27          2HG       GLN  27  -6.678   5.798  -6.889
  218   1HE2  GLN  27          1HE2      GLN  27  -8.712   5.433  -7.453
  219   2HE2  GLN  27          2HE2      GLN  27  -9.349   3.923  -7.997
  220    H    ASN  28           H        ASN  28  -1.875   4.558  -6.991
  221    HA   ASN  28           HA       ASN  28  -1.138   3.124  -9.385
  222   1HB   ASN  28          1HB       ASN  28  -0.557   5.575  -8.748
  223   2HB   ASN  28          2HB       ASN  28   0.733   4.848  -7.783
  224   1HD2  ASN  28          1HD2      ASN  28   2.582   5.058  -8.807
  225   2HD2  ASN  28          2HD2      ASN  28   2.852   4.769 -10.489
  226    H    LEU  29           H        LEU  29  -0.082   3.224  -6.003
  227    HA   LEU  29           HA       LEU  29   2.079   1.497  -6.144
  228   1HB   LEU  29          1HB       LEU  29   0.663   2.786  -4.143
  229   2HB   LEU  29          2HB       LEU  29   0.456   1.065  -3.771
  230    HG   LEU  29           HG       LEU  29   2.990   2.672  -3.854
  231   1HD1  LEU  29          1HD1      LEU  29   1.842   0.801  -1.789
  232   2HD1  LEU  29          2HD1      LEU  29   1.682   2.557  -1.763
  233   3HD1  LEU  29          3HD1      LEU  29   3.275   1.816  -1.620
  234   1HD2  LEU  29          1HD2      LEU  29   2.606  -0.224  -4.358
  235   2HD2  LEU  29          2HD2      LEU  29   3.926   0.246  -3.287
  236   3HD2  LEU  29          3HD2      LEU  29   3.862   0.873  -4.935
  237    H    LYS  30           H        LYS  30  -1.357   0.739  -5.730
  238    HA   LYS  30           HA       LYS  30  -1.101  -2.026  -5.373
  239   1HB   LYS  30          1HB       LYS  30  -3.170  -0.654  -4.994
  240   2HB   LYS  30          2HB       LYS  30  -3.387  -0.611  -6.751
  241   1HG   LYS  30          1HG       LYS  30  -4.044  -2.785  -6.882
  242   2HG   LYS  30          2HG       LYS  30  -3.069  -3.270  -5.482
  243   1HD   LYS  30          1HD       LYS  30  -4.769  -2.966  -4.058
  244   2HD   LYS  30          2HD       LYS  30  -5.163  -1.388  -4.761
  245   1HE   LYS  30          1HE       LYS  30  -6.134  -2.822  -6.731
  246   2HE   LYS  30          2HE       LYS  30  -6.173  -4.100  -5.506
  247   1HZ   LYS  30          1HZ       LYS  30  -7.315  -2.173  -4.131
  248   2HZ   LYS  30          2HZ       LYS  30  -8.201  -3.195  -5.146
  249   3HZ   LYS  30          3HZ       LYS  30  -7.754  -1.653  -5.680
  250    H    LYS  31           H        LYS  31  -1.144  -0.054  -8.272
  251    HA   LYS  31           HA       LYS  31  -1.345  -2.293 -10.066
  252   1HB   LYS  31          1HB       LYS  31  -2.166   0.018 -10.591
  253   2HB   LYS  31          2HB       LYS  31  -0.474   0.533 -10.690
  254   1HG   LYS  31          1HG       LYS  31  -0.698   0.096 -12.876
  255   2HG   LYS  31          2HG       LYS  31  -0.457  -1.587 -12.375
  256   1HD   LYS  31          1HD       LYS  31  -3.217  -0.418 -12.347
  257   2HD   LYS  31          2HD       LYS  31  -2.496  -0.949 -13.877
  258   1HE   LYS  31          1HE       LYS  31  -3.097  -3.041 -13.404
  259   2HE   LYS  31          2HE       LYS  31  -1.995  -2.999 -12.019
  260   1HZ   LYS  31          1HZ       LYS  31  -3.893  -1.918 -10.774
  261   2HZ   LYS  31          2HZ       LYS  31  -4.077  -3.558 -11.146
  262   3HZ   LYS  31          3HZ       LYS  31  -4.890  -2.388 -12.058
  263    H    GLU  32           H        GLU  32   1.201  -0.549  -8.493
  264    HA   GLU  32           HA       GLU  32   3.326  -1.208 -10.232
  265   1HB   GLU  32          1HB       GLU  32   3.398   0.555  -8.467
  266   2HB   GLU  32          2HB       GLU  32   3.475  -0.731  -7.253
  267   1HG   GLU  32          1HG       GLU  32   5.658  -1.028  -7.542
  268   2HG   GLU  32          2HG       GLU  32   5.489  -1.065  -9.302
  269    HE2  GLU  32           HE2      GLU  32   6.176   2.360  -9.561
  270    H    LYS  33           H        LYS  33   1.991  -2.817  -7.379
  271    HA   LYS  33           HA       LYS  33   3.367  -5.273  -8.210
  272   1HB   LYS  33          1HB       LYS  33   3.293  -4.096  -5.426
  273   2HB   LYS  33          2HB       LYS  33   3.724  -5.782  -5.757
  274   1HG   LYS  33          1HG       LYS  33   5.556  -4.928  -7.254
  275   2HG   LYS  33          2HG       LYS  33   5.196  -3.309  -6.628
  276   1HD   LYS  33          1HD       LYS  33   6.036  -3.758  -4.548
  277   2HD   LYS  33          2HD       LYS  33   5.636  -5.482  -4.650
  278   1HE   LYS  33          1HE       LYS  33   7.471  -5.778  -6.303
  279   2HE   LYS  33          2HE       LYS  33   7.898  -4.076  -6.068
  280   1HZ   LYS  33          1HZ       LYS  33   8.240  -6.342  -4.240
  281   2HZ   LYS  33          2HZ       LYS  33   7.990  -4.807  -3.575
  282   3HZ   LYS  33          3HZ       LYS  33   9.307  -5.080  -4.602
  283    H    LEU  34           H        LEU  34   2.240  -7.164  -7.870
  284    HA   LEU  34           HA       LEU  34  -0.552  -7.044  -7.830
  285   1HB   LEU  34          1HB       LEU  34  -0.476  -9.495  -7.554
  286   2HB   LEU  34          2HB       LEU  34   0.594  -8.898  -8.834
  287    HG   LEU  34           HG       LEU  34   2.188  -9.041  -6.533
  288   1HD1  LEU  34          1HD1      LEU  34   0.812 -10.441  -5.304
  289   2HD1  LEU  34          2HD1      LEU  34   1.875 -11.576  -6.136
  290   3HD1  LEU  34          3HD1      LEU  34   0.238 -11.302  -6.733
  291   1HD2  LEU  34          1HD2      LEU  34   1.959 -10.932  -8.872
  292   2HD2  LEU  34          2HD2      LEU  34   3.342 -10.789  -7.788
  293   3HD2  LEU  34          3HD2      LEU  34   2.897  -9.440  -8.835
  294    H    LEU  35           H        LEU  35  -1.943  -6.757  -6.226
  295    HA   LEU  35           HA       LEU  35  -1.029  -6.785  -3.484
  296   1HB   LEU  35          1HB       LEU  35  -2.874  -5.304  -4.852
  297   2HB   LEU  35          2HB       LEU  35  -3.901  -6.462  -3.986
  298    HG   LEU  35           HG       LEU  35  -3.719  -4.433  -2.704
  299   1HD1  LEU  35          1HD1      LEU  35  -1.994  -6.542  -1.420
  300   2HD1  LEU  35          2HD1      LEU  35  -3.753  -6.619  -1.523
  301   3HD1  LEU  35          3HD1      LEU  35  -2.980  -5.325  -0.607
  302   1HD2  LEU  35          1HD2      LEU  35  -1.722  -3.448  -3.482
  303   2HD2  LEU  35          2HD2      LEU  35  -0.757  -4.849  -3.016
  304   3HD2  LEU  35          3HD2      LEU  35  -1.451  -3.802  -1.776
  305    H    PHE  36           H        PHE  36  -0.965  -8.601  -2.351
  306    HA   PHE  36           HA       PHE  36  -1.466 -10.659  -1.521
  307   1HB   PHE  36          1HB       PHE  36  -3.570  -9.341  -0.950
  308   2HB   PHE  36          2HB       PHE  36  -4.313 -10.103  -2.358
  309    HD1  PHE  36           HD1      PHE  36  -2.593 -10.934   0.831
  310    HD2  PHE  36           HD2      PHE  36  -5.333 -12.177  -2.182
  311    HE1  PHE  36           HE1      PHE  36  -3.185 -12.902   2.185
  312    HE2  PHE  36           HE2      PHE  36  -5.929 -14.146  -0.833
  313    HZ   PHE  36           HZ       PHE  36  -4.855 -14.510   1.354
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1  -8.259  -6.185   1.760
    2   2H    MET   1          2H        MET   1  -6.618  -6.394   1.811
    3   3H    MET   1          3H        MET   1  -7.617  -7.710   1.699
    4    HA   MET   1           HA       MET   1  -7.442  -5.867   3.943
    5   1HB   MET   1          1HB       MET   1  -8.883  -7.602   5.068
    6   2HB   MET   1          2HB       MET   1  -9.682  -6.658   3.802
    7   1HG   MET   1          1HG       MET   1  -8.436  -9.231   2.996
    8   2HG   MET   1          2HG       MET   1  -9.903  -9.296   3.976
    9   1HE   MET   1          1HE       MET   1 -12.229  -9.717   1.273
   10   2HE   MET   1          2HE       MET   1 -10.724 -10.624   1.121
   11   3HE   MET   1          3HE       MET   1 -11.407 -10.309   2.716
   12    H    LEU   2           H        LEU   2  -5.929  -6.345   5.410
   13    HA   LEU   2           HA       LEU   2  -4.968  -9.002   5.850
   14   1HB   LEU   2          1HB       LEU   2  -2.745  -8.799   5.086
   15   2HB   LEU   2          2HB       LEU   2  -3.787  -8.279   3.750
   16    HG   LEU   2           HG       LEU   2  -2.442  -6.332   5.611
   17   1HD1  LEU   2          1HD1      LEU   2  -1.402  -7.704   3.168
   18   2HD1  LEU   2          2HD1      LEU   2  -0.586  -7.357   4.692
   19   3HD1  LEU   2          3HD1      LEU   2  -0.903  -6.055   3.544
   20   1HD2  LEU   2          1HD2      LEU   2  -3.940  -6.161   3.026
   21   2HD2  LEU   2          2HD2      LEU   2  -2.741  -4.937   3.446
   22   3HD2  LEU   2          3HD2      LEU   2  -4.132  -5.206   4.496
   23    H    SER   3           H        SER   3  -3.196  -9.027   7.495
   24    HA   SER   3           HA       SER   3  -3.875  -7.464   9.708
   25   1HB   SER   3          1HB       SER   3  -1.116  -8.424   9.804
   26   2HB   SER   3          2HB       SER   3  -2.507  -8.875  10.805
   27    HG   SER   3           HG       SER   3  -1.472 -10.111   8.569
   28    H    ASP   4           H        ASP   4  -2.549  -5.919  10.881
   29    HA   ASP   4           HA       ASP   4  -1.709  -3.775   9.234
   30   1HB   ASP   4          1HB       ASP   4  -0.951  -2.740  11.392
   31   2HB   ASP   4          2HB       ASP   4  -2.635  -3.281  11.390
   32    HD2  ASP   4           HD2      ASP   4  -0.229  -4.783  14.044
   33    H    GLU   5           H        GLU   5   0.028  -6.248  11.052
   34    HA   GLU   5           HA       GLU   5   2.617  -5.156  10.651
   35   1HB   GLU   5          1HB       GLU   5   1.528  -7.798  11.539
   36   2HB   GLU   5          2HB       GLU   5   3.239  -7.680  11.099
   37   1HG   GLU   5          1HG       GLU   5   2.193  -5.627  12.963
   38   2HG   GLU   5          2HG       GLU   5   2.349  -7.279  13.576
   39    HE2  GLU   5           HE2      GLU   5   5.808  -5.856  12.280
   40    H    ASP   6           H        ASP   6   0.597  -7.368   8.829
   41    HA   ASP   6           HA       ASP   6   2.654  -8.158   7.001
   42   1HB   ASP   6          1HB       ASP   6   0.530  -9.458   7.570
   43   2HB   ASP   6          2HB       ASP   6  -0.317  -8.324   6.509
   44    HD2  ASP   6           HD2      ASP   6   1.647 -11.262   4.879
   45    H    PHE   7           H        PHE   7   0.448  -5.509   7.235
   46    HA   PHE   7           HA       PHE   7   0.304  -4.745   4.537
   47   1HB   PHE   7          1HB       PHE   7  -1.130  -3.856   6.384
   48   2HB   PHE   7          2HB       PHE   7   0.256  -2.921   6.950
   49    HD1  PHE   7           HD1      PHE   7   1.172  -1.081   5.594
   50    HD2  PHE   7           HD2      PHE   7  -2.387  -3.135   4.485
   51    HE1  PHE   7           HE1      PHE   7   0.593   0.756   4.061
   52    HE2  PHE   7           HE2      PHE   7  -2.971  -1.303   2.950
   53    HZ   PHE   7           HZ       PHE   7  -1.480   0.646   2.737
   54    H    LYS   8           H        LYS   8   2.568  -3.804   7.103
   55    HA   LYS   8           HA       LYS   8   4.085  -2.038   5.475
   56   1HB   LYS   8          1HB       LYS   8   3.940  -2.263   8.079
   57   2HB   LYS   8          2HB       LYS   8   5.247  -3.437   7.858
   58   1HG   LYS   8          1HG       LYS   8   5.749  -0.976   6.402
   59   2HG   LYS   8          2HG       LYS   8   5.519  -0.702   8.138
   60   1HD   LYS   8          1HD       LYS   8   7.138  -2.772   8.360
   61   2HD   LYS   8          2HD       LYS   8   7.622  -2.278   6.728
   62   1HE   LYS   8          1HE       LYS   8   8.756  -0.495   7.479
   63   2HE   LYS   8          2HE       LYS   8   7.436  -0.027   8.560
   64   1HZ   LYS   8          1HZ       LYS   8   9.150  -0.529  10.003
   65   2HZ   LYS   8          2HZ       LYS   8   9.692  -1.846   9.092
   66   3HZ   LYS   8          3HZ       LYS   8   8.267  -1.973   9.993
   67    H    ALA   9           H        ALA   9   3.983  -5.445   5.780
   68    HA   ALA   9           HA       ALA   9   6.661  -6.008   4.974
   69   1HB   ALA   9          1HB       ALA   9   5.876  -8.297   4.662
   70   2HB   ALA   9          2HB       ALA   9   5.316  -7.638   6.201
   71   3HB   ALA   9          3HB       ALA   9   4.206  -7.755   4.836
   72    H    VAL  10           H        VAL  10   3.552  -5.850   3.271
   73    HA   VAL  10           HA       VAL  10   4.735  -6.464   0.721
   74    HB   VAL  10           HB       VAL  10   1.977  -5.595   1.554
   75   1HG1  VAL  10          1HG1      VAL  10   1.307  -5.929  -0.814
   76   2HG1  VAL  10          2HG1      VAL  10   2.358  -4.532  -0.570
   77   3HG1  VAL  10          3HG1      VAL  10   3.016  -6.024  -1.243
   78   1HG2  VAL  10          1HG2      VAL  10   1.323  -7.784   1.047
   79   2HG2  VAL  10          2HG2      VAL  10   2.782  -8.100   0.109
   80   3HG2  VAL  10          3HG2      VAL  10   2.874  -7.973   1.865
   81    H    PHE  11           H        PHE  11   3.644  -3.572   2.413
   82    HA   PHE  11           HA       PHE  11   3.794  -1.754   0.293
   83   1HB   PHE  11          1HB       PHE  11   3.517  -1.653   3.170
   84   2HB   PHE  11          2HB       PHE  11   4.594  -0.371   2.611
   85    HD1  PHE  11           HD1      PHE  11   1.671  -1.805   0.835
   86    HD2  PHE  11           HD2      PHE  11   3.314   1.559   2.859
   87    HE1  PHE  11           HE1      PHE  11  -0.263  -0.450   0.145
   88    HE2  PHE  11           HE2      PHE  11   1.382   2.920   2.174
   89    HZ   PHE  11           HZ       PHE  11  -0.411   1.915   0.816
   90    H    GLY  12           H        GLY  12   6.268  -2.843   2.581
   91   1HA   GLY  12          1HA       GLY  12   8.560  -3.031   2.087
   92   2HA   GLY  12          2HA       GLY  12   8.323  -1.984   0.695
   93    H    MET  13           H        MET  13   6.837  -0.008   2.337
   94    HA   MET  13           HA       MET  13   9.129   1.114   3.810
   95   1HB   MET  13          1HB       MET  13   8.523   2.238   1.614
   96   2HB   MET  13          2HB       MET  13   7.016   2.737   2.398
   97   1HG   MET  13          1HG       MET  13   8.016   4.322   3.658
   98   2HG   MET  13          2HG       MET  13   9.480   3.360   3.875
   99   1HE   MET  13          1HE       MET  13  10.636   2.578   1.527
  100   2HE   MET  13          2HE       MET  13  11.306   3.832   0.484
  101   3HE   MET  13          3HE       MET  13  11.768   3.759   2.184
  102    H    THR  14           H        THR  14   8.505   2.720   5.488
  103    HA   THR  14           HA       THR  14   6.863   1.642   7.418
  104    HB   THR  14           HB       THR  14   6.748   4.061   8.327
  105    HG1  THR  14           HG1      THR  14   8.810   4.530   6.453
  106   1HG2  THR  14          1HG2      THR  14   9.483   3.872   8.415
  107   2HG2  THR  14          2HG2      THR  14   9.000   2.212   8.064
  108   3HG2  THR  14          3HG2      THR  14   8.369   3.032   9.492
  109    H    ARG  15           H        ARG  15   4.799   1.089   6.998
  110    HA   ARG  15           HA       ARG  15   3.007   2.352   5.308
  111   1HB   ARG  15          1HB       ARG  15   1.332   1.006   6.227
  112   2HB   ARG  15          2HB       ARG  15   2.816   0.080   6.497
  113   1HG   ARG  15          1HG       ARG  15   1.986  -0.136   8.577
  114   2HG   ARG  15          2HG       ARG  15   2.727   1.457   8.798
  115   1HD   ARG  15          1HD       ARG  15   0.430   1.429   9.649
  116   2HD   ARG  15          2HD       ARG  15   0.603   2.537   8.282
  117    HE   ARG  15           HE       ARG  15  -0.230   0.288   7.074
  118   1HH1  ARG  15          1HH1      ARG  15  -1.402   2.023   9.855
  119   2HH1  ARG  15          2HH1      ARG  15  -3.051   1.548   9.619
  120   1HH2  ARG  15          1HH2      ARG  15  -2.397  -0.344   6.753
  121   2HH2  ARG  15          2HH2      ARG  15  -3.616   0.201   7.855
  122    H    SER  16           H        SER  16   3.981   3.199   8.525
  123    HA   SER  16           HA       SER  16   1.777   4.844   9.204
  124   1HB   SER  16          1HB       SER  16   4.559   4.456  10.225
  125   2HB   SER  16          2HB       SER  16   3.696   5.927  10.704
  126    HG   SER  16           HG       SER  16   3.470   3.659  11.864
  127    H    ALA  17           H        ALA  17   4.943   5.546   7.762
  128    HA   ALA  17           HA       ALA  17   4.469   8.351   7.532
  129   1HB   ALA  17          1HB       ALA  17   6.481   6.656   6.058
  130   2HB   ALA  17          2HB       ALA  17   6.513   8.411   6.245
  131   3HB   ALA  17          3HB       ALA  17   6.728   7.370   7.652
  132    H    PHE  18           H        PHE  18   3.960   5.573   5.456
  133    HA   PHE  18           HA       PHE  18   3.409   7.103   3.099
  134   1HB   PHE  18          1HB       PHE  18   3.516   4.278   3.859
  135   2HB   PHE  18          2HB       PHE  18   2.217   4.635   2.720
  136    HD1  PHE  18           HD1      PHE  18   5.526   6.287   2.928
  137    HD2  PHE  18           HD2      PHE  18   2.985   3.666   0.741
  138    HE1  PHE  18           HE1      PHE  18   7.134   6.290   1.065
  139    HE2  PHE  18           HE2      PHE  18   4.588   3.663  -1.126
  140    HZ   PHE  18           HZ       PHE  18   6.665   4.976  -0.965
  141    H    ALA  19           H        ALA  19   1.502   5.692   5.689
  142    HA   ALA  19           HA       ALA  19  -1.046   5.915   4.576
  143   1HB   ALA  19          1HB       ALA  19  -1.873   5.913   6.883
  144   2HB   ALA  19          2HB       ALA  19  -0.620   4.697   6.637
  145   3HB   ALA  19          3HB       ALA  19  -0.235   6.205   7.466
  146    H    ASN  20           H        ASN  20   1.121   8.352   5.640
  147    HA   ASN  20           HA       ASN  20  -0.665  10.385   6.371
  148   1HB   ASN  20          1HB       ASN  20   2.149  10.349   5.316
  149   2HB   ASN  20          2HB       ASN  20   1.298  11.887   5.509
  150   1HD2  ASN  20          1HD2      ASN  20   1.195   8.963   7.495
  151   2HD2  ASN  20          2HD2      ASN  20   1.742   9.721   8.948
  152    H    LEU  21           H        LEU  21   0.008   8.992   3.327
  153    HA   LEU  21           HA       LEU  21  -1.096  11.290   1.883
  154   1HB   LEU  21          1HB       LEU  21   0.738   9.105   1.236
  155   2HB   LEU  21          2HB       LEU  21  -0.507   9.371   0.003
  156    HG   LEU  21           HG       LEU  21   0.248  11.553  -0.449
  157   1HD1  LEU  21          1HD1      LEU  21   0.518  12.335   1.831
  158   2HD1  LEU  21          2HD1      LEU  21   1.966  12.687   0.888
  159   3HD1  LEU  21          3HD1      LEU  21   1.960  11.338   2.024
  160   1HD2  LEU  21          1HD2      LEU  21   2.012  10.829  -1.584
  161   2HD2  LEU  21          2HD2      LEU  21   1.976   9.349  -0.627
  162   3HD2  LEU  21          3HD2      LEU  21   2.969  10.712  -0.109
  163    HA   PRO  22           HA       PRO  22  -5.018   9.458   1.165
  164   1HB   PRO  22          1HB       PRO  22  -5.537  10.166  -1.429
  165   2HB   PRO  22          2HB       PRO  22  -5.550  11.309  -0.087
  166   1HG   PRO  22          1HG       PRO  22  -3.370  10.716  -2.060
  167   2HG   PRO  22          2HG       PRO  22  -3.976  12.311  -1.477
  168   1HD   PRO  22          1HD       PRO  22  -1.692  11.180  -0.541
  169   2HD   PRO  22          2HD       PRO  22  -2.753  12.172   0.473
  170    H    LEU  23           H        LEU  23  -6.178   7.800   0.029
  171    HA   LEU  23           HA       LEU  23  -4.617   5.553  -0.626
  172   1HB   LEU  23          1HB       LEU  23  -7.521   6.245  -0.825
  173   2HB   LEU  23          2HB       LEU  23  -6.920   4.773  -1.606
  174    HG   LEU  23           HG       LEU  23  -5.973   4.157   0.696
  175   1HD1  LEU  23          1HD1      LEU  23  -7.900   6.341   1.469
  176   2HD1  LEU  23          2HD1      LEU  23  -6.167   6.281   1.793
  177   3HD1  LEU  23          3HD1      LEU  23  -7.251   5.137   2.583
  178   1HD2  LEU  23          1HD2      LEU  23  -7.700   2.760   0.777
  179   2HD2  LEU  23          2HD2      LEU  23  -8.406   3.673  -0.556
  180   3HD2  LEU  23          3HD2      LEU  23  -8.832   4.072   1.109
  181    H    TRP  24           H        TRP  24  -5.724   8.201  -2.516
  182    HA   TRP  24           HA       TRP  24  -5.905   7.106  -5.059
  183   1HB   TRP  24          1HB       TRP  24  -5.508   9.763  -3.906
  184   2HB   TRP  24          2HB       TRP  24  -4.708   9.578  -5.468
  185    HD1  TRP  24           HD1      TRP  24  -8.115  10.029  -3.942
  186    HE1  TRP  24           HE1      TRP  24  -9.886  10.149  -5.806
  187    HE3  TRP  24           HE3      TRP  24  -5.226   8.574  -7.901
  188    HZ2  TRP  24           HZ2      TRP  24 -10.039   9.689  -8.587
  189    HZ3  TRP  24           HZ3      TRP  24  -6.262   8.439 -10.130
  190    HH2  TRP  24           HH2      TRP  24  -8.619   8.984 -10.463
  191    H    LYS  25           H        LYS  25  -3.048   8.197  -3.281
  192    HA   LYS  25           HA       LYS  25  -1.227   7.729  -5.426
  193   1HB   LYS  25          1HB       LYS  25  -0.926   9.260  -3.383
  194   2HB   LYS  25          2HB       LYS  25  -0.484   7.784  -2.509
  195   1HG   LYS  25          1HG       LYS  25   0.943   8.120  -5.044
  196   2HG   LYS  25          2HG       LYS  25   1.249   9.402  -3.860
  197   1HD   LYS  25          1HD       LYS  25   1.687   7.577  -2.160
  198   2HD   LYS  25          2HD       LYS  25   1.657   6.436  -3.517
  199   1HE   LYS  25          1HE       LYS  25   3.357   8.557  -4.295
  200   2HE   LYS  25          2HE       LYS  25   3.787   8.138  -2.629
  201   1HZ   LYS  25          1HZ       LYS  25   4.504   6.089  -3.225
  202   2HZ   LYS  25          2HZ       LYS  25   4.795   6.871  -4.695
  203   3HZ   LYS  25          3HZ       LYS  25   3.403   5.929  -4.500
  204    H    GLN  26           H        GLN  26  -2.651   5.755  -2.971
  205    HA   GLN  26           HA       GLN  26  -0.744   3.702  -2.815
  206   1HB   GLN  26          1HB       GLN  26  -3.204   4.231  -1.668
  207   2HB   GLN  26          2HB       GLN  26  -3.508   2.778  -2.633
  208   1HG   GLN  26          1HG       GLN  26  -1.851   1.536  -1.483
  209   2HG   GLN  26          2HG       GLN  26  -1.221   2.991  -0.700
  210   1HE2  GLN  26          1HE2      GLN  26  -3.070   4.225   0.510
  211   2HE2  GLN  26          2HE2      GLN  26  -4.013   3.237   1.567
  212    H    GLN  27           H        GLN  27  -3.060   4.506  -5.252
  213    HA   GLN  27           HA       GLN  27  -3.375   2.024  -6.506
  214   1HB   GLN  27          1HB       GLN  27  -3.759   4.860  -7.235
  215   2HB   GLN  27          2HB       GLN  27  -3.513   3.755  -8.597
  216   1HG   GLN  27          1HG       GLN  27  -5.437   2.538  -8.145
  217   2HG   GLN  27          2HG       GLN  27  -5.518   3.118  -6.476
  218   1HE2  GLN  27          1HE2      GLN  27  -7.201   3.239  -9.120
  219   2HE2  GLN  27          2HE2      GLN  27  -7.808   4.856  -9.090
  220    H    ASN  28           H        ASN  28  -0.780   4.356  -6.616
  221    HA   ASN  28           HA       ASN  28   0.531   3.531  -8.936
  222   1HB   ASN  28          1HB       ASN  28   1.165   5.568  -7.781
  223   2HB   ASN  28          2HB       ASN  28   1.674   4.640  -6.365
  224   1HD2  ASN  28          1HD2      ASN  28   3.765   5.411  -6.426
  225   2HD2  ASN  28          2HD2      ASN  28   4.901   4.924  -7.634
  226    H    LEU  29           H        LEU  29   0.759   2.313  -5.622
  227    HA   LEU  29           HA       LEU  29   2.698   0.297  -6.395
  228   1HB   LEU  29          1HB       LEU  29   1.323   0.925  -3.780
  229   2HB   LEU  29          2HB       LEU  29   2.472  -0.405  -3.997
  230    HG   LEU  29           HG       LEU  29   2.974   2.537  -3.915
  231   1HD1  LEU  29          1HD1      LEU  29   4.792   1.840  -2.452
  232   2HD1  LEU  29          2HD1      LEU  29   4.390   0.147  -2.742
  233   3HD1  LEU  29          3HD1      LEU  29   3.249   1.192  -1.895
  234   1HD2  LEU  29          1HD2      LEU  29   3.968   1.961  -6.007
  235   2HD2  LEU  29          2HD2      LEU  29   4.674   0.492  -5.333
  236   3HD2  LEU  29          3HD2      LEU  29   5.260   2.073  -4.812
  237    H    LYS  30           H        LYS  30  -0.675   0.453  -5.328
  238    HA   LYS  30           HA       LYS  30  -1.200  -2.285  -5.209
  239   1HB   LYS  30          1HB       LYS  30  -2.714  -0.522  -4.357
  240   2HB   LYS  30          2HB       LYS  30  -3.103  -0.080  -6.026
  241   1HG   LYS  30          1HG       LYS  30  -4.368  -1.964  -6.394
  242   2HG   LYS  30          2HG       LYS  30  -3.521  -2.894  -5.145
  243   1HD   LYS  30          1HD       LYS  30  -4.824  -2.101  -3.456
  244   2HD   LYS  30          2HD       LYS  30  -5.030  -0.519  -4.227
  245   1HE   LYS  30          1HE       LYS  30  -6.376  -2.049  -5.992
  246   2HE   LYS  30          2HE       LYS  30  -6.624  -2.991  -4.514
  247   1HZ   LYS  30          1HZ       LYS  30  -7.125  -0.083  -4.557
  248   2HZ   LYS  30          2HZ       LYS  30  -7.729  -1.244  -3.486
  249   3HZ   LYS  30          3HZ       LYS  30  -8.306  -1.177  -5.076
  250    H    LYS  31           H        LYS  31  -1.097  -0.086  -7.937
  251    HA   LYS  31           HA       LYS  31  -2.226  -1.964  -9.796
  252   1HB   LYS  31          1HB       LYS  31  -2.370   0.526 -10.042
  253   2HB   LYS  31          2HB       LYS  31  -0.634   0.535 -10.393
  254   1HG   LYS  31          1HG       LYS  31  -1.727   0.626 -12.482
  255   2HG   LYS  31          2HG       LYS  31  -1.124  -1.032 -12.303
  256   1HD   LYS  31          1HD       LYS  31  -3.340  -1.199 -13.156
  257   2HD   LYS  31          2HD       LYS  31  -3.405  -1.666 -11.447
  258   1HE   LYS  31          1HE       LYS  31  -4.273   0.495 -10.818
  259   2HE   LYS  31          2HE       LYS  31  -4.044   1.099 -12.467
  260   1HZ   LYS  31          1HZ       LYS  31  -6.323  -0.014 -11.471
  261   2HZ   LYS  31          2HZ       LYS  31  -5.655  -1.263 -12.396
  262   3HZ   LYS  31          3HZ       LYS  31  -5.976   0.238 -13.107
  263    H    GLU  32           H        GLU  32   0.934  -1.224  -8.587
  264    HA   GLU  32           HA       GLU  32   2.461  -2.308 -10.709
  265   1HB   GLU  32          1HB       GLU  32   3.465  -0.826  -9.071
  266   2HB   GLU  32          2HB       GLU  32   3.122  -1.986  -7.778
  267   1HG   GLU  32          1HG       GLU  32   4.710  -3.538  -8.604
  268   2HG   GLU  32          2HG       GLU  32   4.893  -2.635 -10.114
  269    HE2  GLU  32           HE2      GLU  32   6.373  -0.346  -7.343
  270    H    LYS  33           H        LYS  33   1.179  -3.692  -7.715
  271    HA   LYS  33           HA       LYS  33   0.844  -6.262  -8.761
  272   1HB   LYS  33          1HB       LYS  33   3.503  -5.822  -8.372
  273   2HB   LYS  33          2HB       LYS  33   3.040  -6.516  -6.809
  274   1HG   LYS  33          1HG       LYS  33   2.086  -8.467  -7.959
  275   2HG   LYS  33          2HG       LYS  33   2.603  -7.779  -9.509
  276   1HD   LYS  33          1HD       LYS  33   4.787  -8.300  -9.182
  277   2HD   LYS  33          2HD       LYS  33   4.694  -8.008  -7.436
  278   1HE   LYS  33          1HE       LYS  33   4.866 -10.262  -7.314
  279   2HE   LYS  33          2HE       LYS  33   3.125 -10.186  -7.620
  280   1HZ   LYS  33          1HZ       LYS  33   3.688 -11.604  -9.263
  281   2HZ   LYS  33          2HZ       LYS  33   5.278 -11.038  -9.383
  282   3HZ   LYS  33          3HZ       LYS  33   4.016 -10.176 -10.109
  283    H    LEU  34           H        LEU  34  -0.908  -6.767  -7.630
  284    HA   LEU  34           HA       LEU  34  -0.809  -7.222  -4.834
  285   1HB   LEU  34          1HB       LEU  34  -1.157  -4.603  -5.335
  286   2HB   LEU  34          2HB       LEU  34  -2.841  -5.151  -5.401
  287    HG   LEU  34           HG       LEU  34  -2.401  -4.340  -3.198
  288   1HD1  LEU  34          1HD1      LEU  34  -3.631  -6.594  -3.619
  289   2HD1  LEU  34          2HD1      LEU  34  -3.229  -6.104  -1.974
  290   3HD1  LEU  34          3HD1      LEU  34  -2.231  -7.294  -2.807
  291   1HD2  LEU  34          1HD2      LEU  34  -0.088  -6.274  -3.120
  292   2HD2  LEU  34          2HD2      LEU  34  -0.641  -5.268  -1.782
  293   3HD2  LEU  34          3HD2      LEU  34   0.035  -4.519  -3.230
  294    H    LEU  35           H        LEU  35  -3.281  -6.181  -7.192
  295    HA   LEU  35           HA       LEU  35  -4.805  -8.607  -6.533
  296   1HB   LEU  35          1HB       LEU  35  -5.539  -5.871  -6.863
  297   2HB   LEU  35          2HB       LEU  35  -6.321  -6.824  -8.138
  298    HG   LEU  35           HG       LEU  35  -7.789  -6.560  -6.217
  299   1HD1  LEU  35          1HD1      LEU  35  -7.893  -8.621  -7.560
  300   2HD1  LEU  35          2HD1      LEU  35  -8.367  -8.883  -5.882
  301   3HD1  LEU  35          3HD1      LEU  35  -6.771  -9.389  -6.437
  302   1HD2  LEU  35          1HD2      LEU  35  -5.606  -6.616  -4.670
  303   2HD2  LEU  35          2HD2      LEU  35  -6.130  -8.290  -4.486
  304   3HD2  LEU  35          3HD2      LEU  35  -7.224  -6.971  -4.065
  305    H    PHE  36           H        PHE  36  -5.967  -9.662  -8.304
  306    HA   PHE  36           HA       PHE  36  -4.235 -10.123 -10.529
  307   1HB   PHE  36          1HB       PHE  36  -6.038 -11.662  -9.248
  308   2HB   PHE  36          2HB       PHE  36  -7.025 -11.133 -10.613
  309    HD1  PHE  36           HD2      PHE  36  -3.903 -12.885  -9.715
  310    HD2  PHE  36           HD1      PHE  36  -6.721 -12.006 -12.780
  311    HE1  PHE  36           HE2      PHE  36  -2.866 -14.593 -11.151
  312    HE2  PHE  36           HE1      PHE  36  -5.691 -13.712 -14.222
  313    HZ   PHE  36           HZ       PHE  36  -3.760 -15.007 -13.409
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1  -7.224 -12.955   4.457
    2   2H    MET   1          2H        MET   1  -6.787 -11.653   3.533
    3   3H    MET   1          3H        MET   1  -5.628 -12.687   4.105
    4    HA   MET   1           HA       MET   1  -7.340 -10.964   5.706
    5   1HB   MET   1          1HB       MET   1  -5.560 -13.230   6.339
    6   2HB   MET   1          2HB       MET   1  -5.314 -11.787   7.333
    7   1HG   MET   1          1HG       MET   1  -6.974 -12.509   8.619
    8   2HG   MET   1          2HG       MET   1  -8.057 -12.083   7.290
    9   1HE   MET   1          1HE       MET   1  -9.729 -13.340   6.868
   10   2HE   MET   1          2HE       MET   1  -9.127 -14.283   5.504
   11   3HE   MET   1          3HE       MET   1  -9.904 -15.095   6.866
   12    H    LEU   2           H        LEU   2  -6.185  -9.232   6.754
   13    HA   LEU   2           HA       LEU   2  -3.543  -8.570   5.745
   14   1HB   LEU   2          1HB       LEU   2  -5.133  -7.707   4.047
   15   2HB   LEU   2          2HB       LEU   2  -5.886  -6.722   5.313
   16    HG   LEU   2           HG       LEU   2  -3.527  -5.691   5.593
   17   1HD1  LEU   2          1HD1      LEU   2  -2.188  -5.689   3.559
   18   2HD1  LEU   2          2HD1      LEU   2  -3.307  -6.825   2.808
   19   3HD1  LEU   2          3HD1      LEU   2  -2.352  -7.323   4.204
   20   1HD2  LEU   2          1HD2      LEU   2  -5.359  -5.186   3.260
   21   2HD2  LEU   2          2HD2      LEU   2  -4.004  -4.132   3.666
   22   3HD2  LEU   2          3HD2      LEU   2  -5.322  -4.358   4.817
   23    H    SER   3           H        SER   3  -2.630  -8.415   7.718
   24    HA   SER   3           HA       SER   3  -3.972  -6.859   9.799
   25   1HB   SER   3          1HB       SER   3  -1.780  -7.711  11.066
   26   2HB   SER   3          2HB       SER   3  -3.202  -8.748  10.853
   27    HG   SER   3           HG       SER   3  -0.696  -8.971   9.763
   28    H    ASP   4           H        ASP   4  -2.650  -5.341  11.089
   29    HA   ASP   4           HA       ASP   4  -1.498  -3.359   9.467
   30   1HB   ASP   4          1HB       ASP   4  -1.040  -3.657  12.441
   31   2HB   ASP   4          2HB       ASP   4  -1.037  -2.168  11.487
   32    HD2  ASP   4           HD2      ASP   4  -4.584  -2.249  11.278
   33    H    GLU   5           H        GLU   5  -0.064  -5.915  11.425
   34    HA   GLU   5           HA       GLU   5   2.624  -5.037  11.118
   35   1HB   GLU   5          1HB       GLU   5   1.300  -7.558  12.050
   36   2HB   GLU   5          2HB       GLU   5   3.042  -7.557  11.725
   37   1HG   GLU   5          1HG       GLU   5   1.854  -5.455  13.492
   38   2HG   GLU   5          2HG       GLU   5   2.168  -7.079  14.121
   39    HE2  GLU   5           HE2      GLU   5   5.512  -6.429  14.433
   40    H    ASP   6           H        ASP   6   0.497  -7.111   9.272
   41    HA   ASP   6           HA       ASP   6   2.605  -8.098   7.566
   42   1HB   ASP   6          1HB       ASP   6   0.504  -9.384   8.156
   43   2HB   ASP   6          2HB       ASP   6  -0.373  -8.275   7.094
   44    HD2  ASP   6           HD2      ASP   6   2.311 -10.394   5.105
   45    H    PHE   7           H        PHE   7   0.410  -5.428   7.616
   46    HA   PHE   7           HA       PHE   7   0.325  -4.818   4.875
   47   1HB   PHE   7          1HB       PHE   7  -1.157  -3.833   6.633
   48   2HB   PHE   7          2HB       PHE   7   0.213  -2.864   7.181
   49    HD1  PHE   7           HD1      PHE   7   1.155  -1.095   5.754
   50    HD2  PHE   7           HD2      PHE   7  -2.363  -3.226   4.661
   51    HE1  PHE   7           HE1      PHE   7   0.612   0.653   4.109
   52    HE2  PHE   7           HE2      PHE   7  -2.912  -1.483   3.014
   53    HZ   PHE   7           HZ       PHE   7  -1.423   0.459   2.736
   54    H    LYS   8           H        LYS   8   2.519  -3.727   7.440
   55    HA   LYS   8           HA       LYS   8   4.074  -2.049   5.758
   56   1HB   LYS   8          1HB       LYS   8   5.717  -2.084   7.622
   57   2HB   LYS   8          2HB       LYS   8   4.072  -1.681   8.142
   58   1HG   LYS   8          1HG       LYS   8   3.749  -3.746   9.182
   59   2HG   LYS   8          2HG       LYS   8   5.102  -4.489   8.311
   60   1HD   LYS   8          1HD       LYS   8   5.585  -2.183  10.173
   61   2HD   LYS   8          2HD       LYS   8   5.403  -3.829  10.804
   62   1HE   LYS   8          1HE       LYS   8   7.640  -3.925  10.476
   63   2HE   LYS   8          2HE       LYS   8   7.156  -4.289   8.813
   64   1HZ   LYS   8          1HZ       LYS   8   7.375  -1.469   9.469
   65   2HZ   LYS   8          2HZ       LYS   8   7.857  -2.297   8.076
   66   3HZ   LYS   8          3HZ       LYS   8   8.832  -2.331   9.458
   67    H    ALA   9           H        ALA   9   3.969  -5.434   6.239
   68    HA   ALA   9           HA       ALA   9   6.668  -6.034   5.537
   69   1HB   ALA   9          1HB       ALA   9   4.216  -7.787   5.427
   70   2HB   ALA   9          2HB       ALA   9   5.888  -8.338   5.323
   71   3HB   ALA   9          3HB       ALA   9   5.295  -7.600   6.810
   72    H    VAL  10           H        VAL  10   3.605  -5.975   3.745
   73    HA   VAL  10           HA       VAL  10   4.859  -6.718   1.263
   74    HB   VAL  10           HB       VAL  10   2.077  -5.818   1.974
   75   1HG1  VAL  10          1HG1      VAL  10   2.512  -4.867  -0.191
   76   2HG1  VAL  10          2HG1      VAL  10   3.192  -6.389  -0.769
   77   3HG1  VAL  10          3HG1      VAL  10   1.473  -6.276  -0.389
   78   1HG2  VAL  10          1HG2      VAL  10   1.444  -8.033   1.565
   79   2HG2  VAL  10          2HG2      VAL  10   2.928  -8.392   0.685
   80   3HG2  VAL  10          3HG2      VAL  10   2.973  -8.173   2.434
   81    H    PHE  11           H        PHE  11   3.714  -3.745   2.771
   82    HA   PHE  11           HA       PHE  11   3.917  -2.041   0.565
   83   1HB   PHE  11          1HB       PHE  11   3.561  -1.790   3.423
   84   2HB   PHE  11          2HB       PHE  11   4.651  -0.536   2.827
   85    HD1  PHE  11           HD2      PHE  11   1.781  -2.069   1.049
   86    HD2  PHE  11           HD1      PHE  11   3.361   1.400   2.941
   87    HE1  PHE  11           HE2      PHE  11  -0.137  -0.759   0.239
   88    HE2  PHE  11           HE1      PHE  11   1.445   2.717   2.135
   89    HZ   PHE  11           HZ       PHE  11  -0.306   1.638   0.781
   90    H    GLY  12           H        GLY  12   6.332  -2.996   2.972
   91   1HA   GLY  12          1HA       GLY  12   8.638  -3.199   2.551
   92   2HA   GLY  12          2HA       GLY  12   8.435  -2.232   1.099
   93    H    MET  13           H        MET  13   6.897  -0.177   2.592
   94    HA   MET  13           HA       MET  13   9.146   1.037   4.059
   95   1HB   MET  13          1HB       MET  13   8.591   2.038   1.791
   96   2HB   MET  13          2HB       MET  13   7.061   2.568   2.507
   97   1HG   MET  13          1HG       MET  13   8.023   4.215   3.723
   98   2HG   MET  13          2HG       MET  13   9.498   3.285   3.998
   99   1HE   MET  13          1HE       MET  13  10.645   2.376   1.867
  100   2HE   MET  13          2HE       MET  13  10.901   3.294   0.384
  101   3HE   MET  13          3HE       MET  13  11.836   3.676   1.829
  102    H    THR  14           H        THR  14   8.474   2.726   5.632
  103    HA   THR  14           HA       THR  14   6.788   1.745   7.575
  104    HB   THR  14           HB       THR  14   7.022   4.711   7.304
  105    HG1  THR  14           HG1      THR  14   9.220   4.331   8.274
  106   1HG2  THR  14          1HG2      THR  14   7.780   3.157   9.724
  107   2HG2  THR  14          2HG2      THR  14   6.073   3.215   9.283
  108   3HG2  THR  14          3HG2      THR  14   6.956   4.710   9.590
  109    H    ARG  15           H        ARG  15   4.735   1.161   7.134
  110    HA   ARG  15           HA       ARG  15   2.984   2.327   5.335
  111   1HB   ARG  15          1HB       ARG  15   1.292   1.024   6.280
  112   2HB   ARG  15          2HB       ARG  15   2.771   0.120   6.638
  113   1HG   ARG  15          1HG       ARG  15   1.886   0.010   8.704
  114   2HG   ARG  15          2HG       ARG  15   2.614   1.619   8.859
  115   1HD   ARG  15          1HD       ARG  15   0.294   1.622   9.648
  116   2HD   ARG  15          2HD       ARG  15   0.501   2.657   8.228
  117    HE   ARG  15           HE       ARG  15  -0.290   0.341   7.122
  118   1HH1  ARG  15          1HH1      ARG  15  -1.543   2.216   9.774
  119   2HH1  ARG  15          2HH1      ARG  15  -3.184   1.721   9.520
  120   1HH2  ARG  15          1HH2      ARG  15  -2.446  -0.319   6.777
  121   2HH2  ARG  15          2HH2      ARG  15  -3.696   0.277   7.816
  122    H    SER  16           H        SER  16   3.879   3.349   8.523
  123    HA   SER  16           HA       SER  16   1.652   5.016   9.062
  124   1HB   SER  16          1HB       SER  16   4.229   4.418  10.277
  125   2HB   SER  16          2HB       SER  16   3.837   6.143  10.389
  126    HG   SER  16           HG       SER  16   2.913   5.167  12.146
  127    H    ALA  17           H        ALA  17   4.848   5.657   7.659
  128    HA   ALA  17           HA       ALA  17   4.369   8.442   7.268
  129   1HB   ALA  17          1HB       ALA  17   6.442   8.443   6.026
  130   2HB   ALA  17          2HB       ALA  17   6.630   7.482   7.493
  131   3HB   ALA  17          3HB       ALA  17   6.423   6.682   5.935
  132    H    PHE  18           H        PHE  18   3.928   5.555   5.327
  133    HA   PHE  18           HA       PHE  18   3.422   6.957   2.883
  134   1HB   PHE  18          1HB       PHE  18   3.527   4.176   3.793
  135   2HB   PHE  18          2HB       PHE  18   2.251   4.465   2.606
  136    HD1  PHE  18           HD1      PHE  18   5.548   6.146   2.803
  137    HD2  PHE  18           HD2      PHE  18   3.069   3.399   0.699
  138    HE1  PHE  18           HE1      PHE  18   7.197   6.061   0.978
  139    HE2  PHE  18           HE2      PHE  18   4.715   3.308  -1.128
  140    HZ   PHE  18           HZ       PHE  18   6.782   4.640  -0.990
  141    H    ALA  19           H        ALA  19   1.458   5.659   5.492
  142    HA   ALA  19           HA       ALA  19  -1.061   5.835   4.296
  143   1HB   ALA  19          1HB       ALA  19  -0.684   4.672   6.400
  144   2HB   ALA  19          2HB       ALA  19  -0.335   6.204   7.200
  145   3HB   ALA  19          3HB       ALA  19  -1.953   5.884   6.575
  146    H    ASN  20           H        ASN  20   1.079   8.302   5.334
  147    HA   ASN  20           HA       ASN  20  -0.729  10.352   5.970
  148   1HB   ASN  20          1HB       ASN  20   2.012  10.094   5.898
  149   2HB   ASN  20          2HB       ASN  20   1.702  11.233   4.582
  150   1HD2  ASN  20          1HD2      ASN  20   0.981  10.637   7.986
  151   2HD2  ASN  20          2HD2      ASN  20   0.872  12.301   8.437
  152    H    LEU  21           H        LEU  21   0.021   8.875   2.986
  153    HA   LEU  21           HA       LEU  21  -1.016  11.137   1.441
  154   1HB   LEU  21          1HB       LEU  21   0.774   8.885   0.913
  155   2HB   LEU  21          2HB       LEU  21  -0.440   9.133  -0.354
  156    HG   LEU  21           HG       LEU  21   0.375  11.282  -0.868
  157   1HD1  LEU  21          1HD1      LEU  21   2.095  12.421   0.452
  158   2HD1  LEU  21          2HD1      LEU  21   2.058  11.108   1.627
  159   3HD1  LEU  21          3HD1      LEU  21   0.636  12.123   1.397
  160   1HD2  LEU  21          1HD2      LEU  21   2.069   9.027  -0.907
  161   2HD2  LEU  21          2HD2      LEU  21   3.069  10.418  -0.489
  162   3HD2  LEU  21          3HD2      LEU  21   2.105  10.437  -1.967
  163    HA   PRO  22           HA       PRO  22  -4.969   9.379   0.714
  164   1HB   PRO  22          1HB       PRO  22  -5.422  10.005  -1.915
  165   2HB   PRO  22          2HB       PRO  22  -5.429  11.197  -0.615
  166   1HG   PRO  22          1HG       PRO  22  -3.229  10.477  -2.522
  167   2HG   PRO  22          2HG       PRO  22  -3.804  12.107  -2.008
  168   1HD   PRO  22          1HD       PRO  22  -1.568  10.954  -0.989
  169   2HD   PRO  22          2HD       PRO  22  -2.623  12.008  -0.031
  170    H    LEU  23           H        LEU  23  -6.150   7.712  -0.389
  171    HA   LEU  23           HA       LEU  23  -4.641   5.402  -0.927
  172   1HB   LEU  23          1HB       LEU  23  -7.513   6.174  -1.170
  173   2HB   LEU  23          2HB       LEU  23  -6.964   4.691  -1.970
  174    HG   LEU  23           HG       LEU  23  -6.126   3.895   0.249
  175   1HD1  LEU  23          1HD1      LEU  23  -7.162   6.547   1.032
  176   2HD1  LEU  23          2HD1      LEU  23  -5.841   5.595   1.709
  177   3HD1  LEU  23          3HD1      LEU  23  -7.510   5.208   2.126
  178   1HD2  LEU  23          1HD2      LEU  23  -8.565   3.690   1.186
  179   2HD2  LEU  23          2HD2      LEU  23  -8.111   2.887  -0.317
  180   3HD2  LEU  23          3HD2      LEU  23  -8.999   4.412  -0.363
  181    H    TRP  24           H        TRP  24  -5.703   7.986  -2.955
  182    HA   TRP  24           HA       TRP  24  -5.796   6.780  -5.453
  183   1HB   TRP  24          1HB       TRP  24  -5.089   9.539  -4.505
  184   2HB   TRP  24          2HB       TRP  24  -4.867   9.124  -6.205
  185    HD1  TRP  24           HD1      TRP  24  -7.728   9.136  -3.588
  186    HE1  TRP  24           HE1      TRP  24  -9.936   9.587  -4.831
  187    HE3  TRP  24           HE3      TRP  24  -5.962   9.190  -8.386
  188    HZ2  TRP  24           HZ2      TRP  24 -10.814   9.920  -7.494
  189    HZ3  TRP  24           HZ3      TRP  24  -7.551   9.582 -10.222
  190    HH2  TRP  24           HH2      TRP  24  -9.926   9.938  -9.784
  191    H    LYS  25           H        LYS  25  -2.998   8.066  -3.692
  192    HA   LYS  25           HA       LYS  25  -1.125   7.472  -5.754
  193   1HB   LYS  25          1HB       LYS  25  -1.096   8.924  -3.391
  194   2HB   LYS  25          2HB       LYS  25  -0.010   7.564  -3.061
  195   1HG   LYS  25          1HG       LYS  25   0.241   9.295  -5.514
  196   2HG   LYS  25          2HG       LYS  25   1.067   9.644  -3.986
  197   1HD   LYS  25          1HD       LYS  25   1.328   7.039  -5.499
  198   2HD   LYS  25          2HD       LYS  25   2.459   8.395  -5.639
  199   1HE   LYS  25          1HE       LYS  25   2.730   8.247  -3.104
  200   2HE   LYS  25          2HE       LYS  25   1.887   6.696  -3.224
  201   1HZ   LYS  25          1HZ       LYS  25   3.695   5.698  -4.026
  202   2HZ   LYS  25          2HZ       LYS  25   4.555   7.051  -3.487
  203   3HZ   LYS  25          3HZ       LYS  25   4.049   6.958  -5.098
  204    H    GLN  26           H        GLN  26  -2.540   5.661  -3.167
  205    HA   GLN  26           HA       GLN  26  -0.568   3.655  -2.910
  206   1HB   GLN  26          1HB       GLN  26  -2.748   4.260  -1.494
  207   2HB   GLN  26          2HB       GLN  26  -3.430   2.964  -2.489
  208   1HG   GLN  26          1HG       GLN  26  -1.937   1.358  -1.641
  209   2HG   GLN  26          2HG       GLN  26  -0.888   2.599  -0.942
  210   1HE2  GLN  26          1HE2      GLN  26  -2.359   4.156   0.524
  211   2HE2  GLN  26          2HE2      GLN  26  -3.240   3.298   1.738
  212    H    GLN  27           H        GLN  27  -3.054   4.229  -5.245
  213    HA   GLN  27           HA       GLN  27  -3.419   1.645  -6.255
  214   1HB   GLN  27          1HB       GLN  27  -3.566   4.334  -7.632
  215   2HB   GLN  27          2HB       GLN  27  -4.097   2.814  -8.369
  216   1HG   GLN  27          1HG       GLN  27  -5.717   2.515  -6.521
  217   2HG   GLN  27          2HG       GLN  27  -5.237   4.099  -5.899
  218   1HE2  GLN  27          1HE2      GLN  27  -7.652   2.710  -7.388
  219   2HE2  GLN  27          2HE2      GLN  27  -8.174   3.964  -8.457
  220    H    ASN  28           H        ASN  28  -0.873   3.982  -6.754
  221    HA   ASN  28           HA       ASN  28   0.287   2.948  -9.074
  222   1HB   ASN  28          1HB       ASN  28   0.834   5.119  -7.813
  223   2HB   ASN  28          2HB       ASN  28   1.885   4.118  -6.804
  224   1HD2  ASN  28          1HD2      ASN  28   2.985   6.145  -8.192
  225   2HD2  ASN  28          2HD2      ASN  28   3.944   5.538  -9.495
  226    H    LEU  29           H        LEU  29   0.739   2.062  -5.683
  227    HA   LEU  29           HA       LEU  29   2.686   0.024  -6.370
  228   1HB   LEU  29          1HB       LEU  29   1.436   0.866  -3.753
  229   2HB   LEU  29          2HB       LEU  29   2.609  -0.454  -3.909
  230    HG   LEU  29           HG       LEU  29   3.034   2.494  -4.128
  231   1HD1  LEU  29          1HD1      LEU  29   4.951   1.973  -2.714
  232   2HD1  LEU  29          2HD1      LEU  29   4.570   0.255  -2.818
  233   3HD1  LEU  29          3HD1      LEU  29   3.454   1.357  -2.011
  234   1HD2  LEU  29          1HD2      LEU  29   5.279   1.998  -5.105
  235   2HD2  LEU  29          2HD2      LEU  29   3.931   1.745  -6.212
  236   3HD2  LEU  29          3HD2      LEU  29   4.712   0.363  -5.442
  237    H    LYS  30           H        LYS  30  -0.628   0.208  -5.137
  238    HA   LYS  30           HA       LYS  30  -1.074  -2.517  -4.735
  239   1HB   LYS  30          1HB       LYS  30  -2.582  -0.702  -3.973
  240   2HB   LYS  30          2HB       LYS  30  -3.081  -0.449  -5.654
  241   1HG   LYS  30          1HG       LYS  30  -4.255  -2.445  -5.758
  242   2HG   LYS  30          2HG       LYS  30  -3.370  -3.142  -4.389
  243   1HD   LYS  30          1HD       LYS  30  -4.823  -2.324  -2.896
  244   2HD   LYS  30          2HD       LYS  30  -4.795  -0.720  -3.648
  245   1HE   LYS  30          1HE       LYS  30  -7.008  -1.357  -3.939
  246   2HE   LYS  30          2HE       LYS  30  -6.266  -1.815  -5.479
  247   1HZ   LYS  30          1HZ       LYS  30  -7.239  -3.522  -3.309
  248   2HZ   LYS  30          2HZ       LYS  30  -5.918  -4.070  -4.213
  249   3HZ   LYS  30          3HZ       LYS  30  -7.382  -3.718  -4.984
  250    H    LYS  31           H        LYS  31  -1.182  -0.582  -7.658
  251    HA   LYS  31           HA       LYS  31  -2.344  -2.667  -9.263
  252   1HB   LYS  31          1HB       LYS  31  -2.614  -0.215  -9.721
  253   2HB   LYS  31          2HB       LYS  31  -0.905  -0.176 -10.189
  254   1HG   LYS  31          1HG       LYS  31  -1.719  -2.174 -11.771
  255   2HG   LYS  31          2HG       LYS  31  -3.240  -1.275 -11.626
  256   1HD   LYS  31          1HD       LYS  31  -2.136  -0.406 -13.538
  257   2HD   LYS  31          2HD       LYS  31  -1.947   0.800 -12.253
  258   1HE   LYS  31          1HE       LYS  31   0.268   0.711 -12.467
  259   2HE   LYS  31          2HE       LYS  31   0.230  -1.013 -12.069
  260   1HZ   LYS  31          1HZ       LYS  31   0.735  -1.505 -14.151
  261   2HZ   LYS  31          2HZ       LYS  31   0.874   0.142 -14.507
  262   3HZ   LYS  31          3HZ       LYS  31  -0.602  -0.651 -14.738
  263    H    GLU  32           H        GLU  32   0.844  -1.682  -8.332
  264    HA   GLU  32           HA       GLU  32   2.327  -2.834 -10.424
  265   1HB   GLU  32          1HB       GLU  32   3.239  -1.250  -8.741
  266   2HB   GLU  32          2HB       GLU  32   3.146  -2.538  -7.530
  267   1HG   GLU  32          1HG       GLU  32   4.818  -3.816  -8.584
  268   2HG   GLU  32          2HG       GLU  32   4.727  -2.843 -10.060
  269    HE2  GLU  32           HE2      GLU  32   6.631  -0.270  -8.598
  270    H    LYS  33           H        LYS  33   0.986  -4.180  -7.468
  271    HA   LYS  33           HA       LYS  33   2.018  -6.829  -8.233
  272   1HB   LYS  33          1HB       LYS  33   1.253  -5.613  -5.593
  273   2HB   LYS  33          2HB       LYS  33   1.264  -7.371  -5.801
  274   1HG   LYS  33          1HG       LYS  33   3.653  -7.143  -6.605
  275   2HG   LYS  33          2HG       LYS  33   3.578  -5.470  -6.029
  276   1HD   LYS  33          1HD       LYS  33   3.639  -6.063  -3.843
  277   2HD   LYS  33          2HD       LYS  33   2.662  -7.517  -4.114
  278   1HE   LYS  33          1HE       LYS  33   4.782  -8.335  -3.503
  279   2HE   LYS  33          2HE       LYS  33   4.718  -8.492  -5.264
  280   1HZ   LYS  33          1HZ       LYS  33   5.736  -5.959  -4.667
  281   2HZ   LYS  33          2HZ       LYS  33   6.535  -7.260  -5.397
  282   3HZ   LYS  33          3HZ       LYS  33   6.576  -7.078  -3.716
  283    H    LEU  34           H        LEU  34  -0.797  -5.714  -6.357
  284    HA   LEU  34           HA       LEU  34  -2.475  -7.819  -6.969
  285   1HB   LEU  34          1HB       LEU  34  -2.664  -5.407  -5.582
  286   2HB   LEU  34          2HB       LEU  34  -3.938  -5.328  -6.811
  287    HG   LEU  34           HG       LEU  34  -4.798  -6.181  -4.698
  288   1HD1  LEU  34          1HD1      LEU  34  -6.163  -7.672  -5.689
  289   2HD1  LEU  34          2HD1      LEU  34  -4.829  -8.643  -6.314
  290   3HD1  LEU  34          3HD1      LEU  34  -5.314  -7.167  -7.151
  291   1HD2  LEU  34          1HD2      LEU  34  -4.060  -8.339  -3.826
  292   2HD2  LEU  34          2HD2      LEU  34  -2.738  -7.171  -3.839
  293   3HD2  LEU  34          3HD2      LEU  34  -2.819  -8.427  -5.076
  294    H    LEU  35           H        LEU  35  -2.348  -4.645  -8.588
  295    HA   LEU  35           HA       LEU  35  -2.965  -3.972 -10.670
  296   1HB   LEU  35          1HB       LEU  35  -1.390  -5.941 -11.172
  297   2HB   LEU  35          2HB       LEU  35  -2.873  -6.847 -11.523
  298    HG   LEU  35           HG       LEU  35  -2.398  -4.257 -12.928
  299   1HD1  LEU  35          1HD1      LEU  35  -1.002  -6.857 -13.495
  300   2HD1  LEU  35          2HD1      LEU  35  -0.297  -5.254 -13.296
  301   3HD1  LEU  35          3HD1      LEU  35  -1.256  -5.623 -14.729
  302   1HD2  LEU  35          1HD2      LEU  35  -4.345  -4.967 -13.767
  303   2HD2  LEU  35          2HD2      LEU  35  -4.113  -6.608 -13.164
  304   3HD2  LEU  35          3HD2      LEU  35  -3.375  -6.114 -14.689
  305    H    PHE  36           H        PHE  36  -5.061  -3.402  -9.941
  306    HA   PHE  36           HA       PHE  36  -7.160  -4.703 -11.375
  307   1HB   PHE  36          1HB       PHE  36  -6.687  -5.883  -8.979
  308   2HB   PHE  36          2HB       PHE  36  -7.836  -4.635  -8.495
  309    HD1  PHE  36           HD2      PHE  36 -10.104  -4.567  -9.471
  310    HD2  PHE  36           HD1      PHE  36  -7.410  -7.771 -10.244
  311    HE1  PHE  36           HE2      PHE  36 -11.981  -5.953 -10.253
  312    HE2  PHE  36           HE1      PHE  36  -9.283  -9.161 -11.028
  313    HZ   PHE  36           HZ       PHE  36 -11.572  -8.253 -11.032
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1  -9.345  -8.365   3.029
    2   2H    MET   1          2H        MET   1  -8.039  -7.384   3.293
    3   3H    MET   1          3H        MET   1  -7.897  -8.701   2.301
    4    HA   MET   1           HA       MET   1  -8.427  -8.749   5.160
    5   1HB   MET   1          1HB       MET   1  -9.185 -10.608   3.293
    6   2HB   MET   1          2HB       MET   1  -7.599 -11.213   3.793
    7   1HG   MET   1          1HG       MET   1  -8.283 -11.733   5.896
    8   2HG   MET   1          2HG       MET   1  -9.453 -10.412   5.947
    9   1HE   MET   1          1HE       MET   1 -11.572 -11.115   3.316
   10   2HE   MET   1          2HE       MET   1 -12.632 -11.651   4.621
   11   3HE   MET   1          3HE       MET   1 -11.542 -10.286   4.873
   12    H    LEU   2           H        LEU   2  -6.609  -7.703   5.857
   13    HA   LEU   2           HA       LEU   2  -4.150  -9.160   5.749
   14   1HB   LEU   2          1HB       LEU   2  -4.553  -7.331   3.697
   15   2HB   LEU   2          2HB       LEU   2  -3.556  -6.459   4.875
   16    HG   LEU   2           HG       LEU   2  -2.016  -8.525   4.787
   17   1HD1  LEU   2          1HD1      LEU   2  -2.133  -9.521   2.416
   18   2HD1  LEU   2          2HD1      LEU   2  -3.810  -8.978   2.431
   19   3HD1  LEU   2          3HD1      LEU   2  -3.246 -10.130   3.641
   20   1HD2  LEU   2          1HD2      LEU   2  -1.366  -6.366   3.922
   21   2HD2  LEU   2          2HD2      LEU   2  -2.292  -6.641   2.446
   22   3HD2  LEU   2          3HD2      LEU   2  -0.870  -7.627   2.793
   23    H    SER   3           H        SER   3  -3.290  -8.971   7.701
   24    HA   SER   3           HA       SER   3  -4.262  -7.193   9.651
   25   1HB   SER   3          1HB       SER   3  -2.766  -9.482   9.700
   26   2HB   SER   3          2HB       SER   3  -1.551  -8.259  10.108
   27    HG   SER   3           HG       SER   3  -3.089  -9.297  11.809
   28    H    ASP   4           H        ASP   4  -2.949  -5.618  10.878
   29    HA   ASP   4           HA       ASP   4  -2.024  -3.549   9.245
   30   1HB   ASP   4          1HB       ASP   4  -1.045  -2.639  11.433
   31   2HB   ASP   4          2HB       ASP   4  -2.789  -2.928  11.385
   32    HD2  ASP   4           HD2      ASP   4  -2.505  -5.658  13.583
   33    H    GLU   5           H        GLU   5  -0.278  -6.084  10.967
   34    HA   GLU   5           HA       GLU   5   2.319  -5.058  10.425
   35   1HB   GLU   5          1HB       GLU   5   1.237  -7.700  11.361
   36   2HB   GLU   5          2HB       GLU   5   2.945  -7.540  10.922
   37   1HG   GLU   5          1HG       GLU   5   1.859  -5.505  12.778
   38   2HG   GLU   5          2HG       GLU   5   2.027  -7.154  13.398
   39    HE2  GLU   5           HE2      GLU   5   5.411  -5.388  12.274
   40    H    ASP   6           H        ASP   6   0.140  -7.232   8.747
   41    HA   ASP   6           HA       ASP   6   2.057  -8.155   6.844
   42   1HB   ASP   6          1HB       ASP   6  -0.160  -9.266   7.524
   43   2HB   ASP   6          2HB       ASP   6  -0.925  -8.117   6.418
   44    HD2  ASP   6           HD2      ASP   6   0.834 -11.255   4.913
   45    H    PHE   7           H        PHE   7   0.039  -5.361   7.118
   46    HA   PHE   7           HA       PHE   7  -0.133  -4.618   4.414
   47   1HB   PHE   7          1HB       PHE   7  -1.468  -3.626   6.278
   48   2HB   PHE   7          2HB       PHE   7  -0.016  -2.777   6.810
   49    HD1  PHE   7           HD1      PHE   7   0.996  -1.015   5.410
   50    HD2  PHE   7           HD2      PHE   7  -2.723  -2.829   4.411
   51    HE1  PHE   7           HE1      PHE   7   0.505   0.845   3.878
   52    HE2  PHE   7           HE2      PHE   7  -3.220  -0.971   2.876
   53    HZ   PHE   7           HZ       PHE   7  -1.605   0.868   2.607
   54    H    LYS   8           H        LYS   8   2.244  -3.784   6.914
   55    HA   LYS   8           HA       LYS   8   3.822  -2.127   5.232
   56   1HB   LYS   8          1HB       LYS   8   3.767  -2.181   7.787
   57   2HB   LYS   8          2HB       LYS   8   4.822  -3.598   7.666
   58   1HG   LYS   8          1HG       LYS   8   5.754  -1.323   6.084
   59   2HG   LYS   8          2HG       LYS   8   5.659  -1.000   7.823
   60   1HD   LYS   8          1HD       LYS   8   6.819  -3.614   7.214
   61   2HD   LYS   8          2HD       LYS   8   7.736  -2.262   6.529
   62   1HE   LYS   8          1HE       LYS   8   8.706  -2.382   8.607
   63   2HE   LYS   8          2HE       LYS   8   7.397  -1.237   8.929
   64   1HZ   LYS   8          1HZ       LYS   8   7.861  -3.687  10.164
   65   2HZ   LYS   8          2HZ       LYS   8   6.430  -3.855   9.278
   66   3HZ   LYS   8          3HZ       LYS   8   6.572  -2.621  10.426
   67    H    ALA   9           H        ALA   9   3.521  -5.518   5.562
   68    HA   ALA   9           HA       ALA   9   6.140  -6.251   4.701
   69   1HB   ALA   9          1HB       ALA   9   4.724  -7.787   5.965
   70   2HB   ALA   9          2HB       ALA   9   3.579  -7.842   4.625
   71   3HB   ALA   9          3HB       ALA   9   5.207  -8.488   4.420
   72    H    VAL  10           H        VAL  10   3.009  -5.913   3.064
   73    HA   VAL  10           HA       VAL  10   4.101  -6.605   0.492
   74    HB   VAL  10           HB       VAL  10   1.416  -5.574   1.378
   75   1HG1  VAL  10          1HG1      VAL  10   0.678  -5.880  -0.974
   76   2HG1  VAL  10          2HG1      VAL  10   1.813  -4.545  -0.759
   77   3HG1  VAL  10          3HG1      VAL  10   2.369  -6.075  -1.438
   78   1HG2  VAL  10          1HG2      VAL  10   2.044  -8.127  -0.070
   79   2HG2  VAL  10          2HG2      VAL  10   2.181  -8.000   1.684
   80   3HG2  VAL  10          3HG2      VAL  10   0.626  -7.725   0.898
   81    H    PHE  11           H        PHE  11   3.213  -3.648   2.192
   82    HA   PHE  11           HA       PHE  11   3.426  -1.851   0.060
   83   1HB   PHE  11          1HB       PHE  11   3.199  -1.721   2.938
   84   2HB   PHE  11          2HB       PHE  11   4.344  -0.509   2.359
   85    HD1  PHE  11           HD1      PHE  11   1.309  -1.773   0.640
   86    HD2  PHE  11           HD2      PHE  11   3.195   1.499   2.604
   87    HE1  PHE  11           HE1      PHE  11  -0.549  -0.304  -0.028
   88    HE2  PHE  11           HE2      PHE  11   1.339   2.972   1.940
   89    HZ   PHE  11           HZ       PHE  11  -0.537   2.070   0.623
   90    H    GLY  12           H        GLY  12   5.874  -3.034   2.334
   91   1HA   GLY  12          1HA       GLY  12   8.147  -3.352   1.823
   92   2HA   GLY  12          2HA       GLY  12   7.945  -2.343   0.399
   93    H    MET  13           H        MET  13   6.568  -0.259   2.040
   94    HA   MET  13           HA       MET  13   8.951   0.807   3.407
   95   1HB   MET  13          1HB       MET  13   8.251   1.882   1.181
   96   2HB   MET  13          2HB       MET  13   6.865   2.522   2.078
   97   1HG   MET  13          1HG       MET  13   8.549   4.214   2.005
   98   2HG   MET  13          2HG       MET  13   8.434   3.600   3.657
   99   1HE   MET  13          1HE       MET  13  11.426   3.459   0.501
  100   2HE   MET  13          2HE       MET  13  10.241   4.672   0.983
  101   3HE   MET  13          3HE       MET  13  11.857   4.689   1.689
  102    H    THR  14           H        THR  14   8.513   2.350   5.135
  103    HA   THR  14           HA       THR  14   6.848   1.416   7.099
  104    HB   THR  14           HB       THR  14   6.911   4.187   7.537
  105    HG1  THR  14           HG1      THR  14   9.488   3.446   6.681
  106   1HG2  THR  14          1HG2      THR  14   9.178   2.498   8.454
  107   2HG2  THR  14          2HG2      THR  14   7.549   2.013   8.928
  108   3HG2  THR  14          3HG2      THR  14   8.156   3.610   9.364
  109    H    ARG  15           H        ARG  15   4.737   1.014   6.794
  110    HA   ARG  15           HA       ARG  15   2.973   2.357   5.135
  111   1HB   ARG  15          1HB       ARG  15   1.246   1.155   6.154
  112   2HB   ARG  15          2HB       ARG  15   2.671   0.134   6.395
  113   1HG   ARG  15          1HG       ARG  15   1.905   0.031   8.509
  114   2HG   ARG  15          2HG       ARG  15   2.766   1.572   8.658
  115   1HD   ARG  15          1HD       ARG  15   0.492   1.705   9.588
  116   2HD   ARG  15          2HD       ARG  15   0.718   2.797   8.214
  117    HE   ARG  15           HE       ARG  15  -0.817   1.577   7.014
  118   1HH1  ARG  15          1HH1      ARG  15   0.077  -0.165   9.893
  119   2HH1  ARG  15          2HH1      ARG  15  -1.168  -1.356   9.716
  120   1HH2  ARG  15          1HH2      ARG  15  -2.461   0.014   6.770
  121   2HH2  ARG  15          2HH2      ARG  15  -2.611  -1.254   7.940
  122    H    SER  16           H        SER  16   4.126   3.214   8.290
  123    HA   SER  16           HA       SER  16   2.069   5.030   8.996
  124   1HB   SER  16          1HB       SER  16   4.738   4.294  10.001
  125   2HB   SER  16          2HB       SER  16   4.288   5.982  10.299
  126    HG   SER  16           HG       SER  16   3.176   5.207  11.897
  127    H    ALA  17           H        ALA  17   5.216   5.454   7.418
  128    HA   ALA  17           HA       ALA  17   4.965   8.281   7.142
  129   1HB   ALA  17          1HB       ALA  17   6.935   8.139   5.744
  130   2HB   ALA  17          2HB       ALA  17   7.138   7.119   7.169
  131   3HB   ALA  17          3HB       ALA  17   6.748   6.390   5.612
  132    H    PHE  18           H        PHE  18   4.141   5.518   5.139
  133    HA   PHE  18           HA       PHE  18   3.577   7.066   2.795
  134   1HB   PHE  18          1HB       PHE  18   3.538   4.246   3.577
  135   2HB   PHE  18          2HB       PHE  18   2.206   4.679   2.505
  136    HD1  PHE  18           HD2      PHE  18   5.661   6.039   2.553
  137    HD2  PHE  18           HD1      PHE  18   2.766   3.721   0.465
  138    HE1  PHE  18           HE2      PHE  18   7.162   5.922   0.607
  139    HE2  PHE  18           HE1      PHE  18   4.262   3.600  -1.483
  140    HZ   PHE  18           HZ       PHE  18   6.464   4.702  -1.415
  141    H    ALA  19           H        ALA  19   1.716   5.803   5.495
  142    HA   ALA  19           HA       ALA  19  -0.864   6.185   4.511
  143   1HB   ALA  19          1HB       ALA  19   0.113   6.447   7.352
  144   2HB   ALA  19          2HB       ALA  19  -1.569   6.257   6.857
  145   3HB   ALA  19          3HB       ALA  19  -0.411   4.960   6.562
  146    H    ASN  20           H        ASN  20   1.510   8.483   5.436
  147    HA   ASN  20           HA       ASN  20  -0.100  10.635   6.232
  148   1HB   ASN  20          1HB       ASN  20   2.650  10.391   5.051
  149   2HB   ASN  20          2HB       ASN  20   1.915  11.990   5.231
  150   1HD2  ASN  20          1HD2      ASN  20   1.696   9.140   7.311
  151   2HD2  ASN  20          2HD2      ASN  20   2.357   9.898   8.716
  152    H    LEU  21           H        LEU  21   0.325   9.176   3.174
  153    HA   LEU  21           HA       LEU  21  -0.712  11.529   1.764
  154   1HB   LEU  21          1HB       LEU  21   0.960   9.239   1.046
  155   2HB   LEU  21          2HB       LEU  21  -0.326   9.569  -0.127
  156    HG   LEU  21           HG       LEU  21   0.531  11.702  -0.633
  157   1HD1  LEU  21          1HD1      LEU  21   2.376  12.739   0.611
  158   2HD1  LEU  21          2HD1      LEU  21   2.339  11.402   1.761
  159   3HD1  LEU  21          3HD1      LEU  21   0.953  12.484   1.621
  160   1HD2  LEU  21          1HD2      LEU  21   3.213  10.717  -0.420
  161   2HD2  LEU  21          2HD2      LEU  21   2.189  10.866  -1.848
  162   3HD2  LEU  21          3HD2      LEU  21   2.126   9.402  -0.867
  163    HA   PRO  22           HA       PRO  22  -4.761   9.921   1.254
  164   1HB   PRO  22          1HB       PRO  22  -5.367  10.643  -1.317
  165   2HB   PRO  22          2HB       PRO  22  -5.249  11.792   0.014
  166   1HG   PRO  22          1HG       PRO  22  -3.206  11.064  -2.058
  167   2HG   PRO  22          2HG       PRO  22  -3.691  12.695  -1.458
  168   1HD   PRO  22          1HD       PRO  22  -1.431  11.441  -0.627
  169   2HD   PRO  22          2HD       PRO  22  -2.383  12.497   0.430
  170    H    LEU  23           H        LEU  23  -6.071   8.330   0.179
  171    HA   LEU  23           HA       LEU  23  -4.714   5.976  -0.487
  172   1HB   LEU  23          1HB       LEU  23  -7.496   6.907  -0.406
  173   2HB   LEU  23          2HB       LEU  23  -7.193   5.629  -1.595
  174    HG   LEU  23           HG       LEU  23  -6.049   4.431   0.446
  175   1HD1  LEU  23          1HD1      LEU  23  -6.527   5.144   2.520
  176   2HD1  LEU  23          2HD1      LEU  23  -8.148   5.678   2.077
  177   3HD1  LEU  23          3HD1      LEU  23  -6.757   6.705   1.732
  178   1HD2  LEU  23          1HD2      LEU  23  -9.051   4.623   0.275
  179   2HD2  LEU  23          2HD2      LEU  23  -8.094   3.260   0.855
  180   3HD2  LEU  23          3HD2      LEU  23  -8.053   3.705  -0.852
  181    H    TRP  24           H        TRP  24  -5.620   8.681  -2.414
  182    HA   TRP  24           HA       TRP  24  -5.860   7.570  -4.945
  183   1HB   TRP  24          1HB       TRP  24  -4.835  10.229  -3.969
  184   2HB   TRP  24          2HB       TRP  24  -4.831   9.835  -5.690
  185    HD1  TRP  24           HD1      TRP  24  -7.318  10.334  -2.788
  186    HE1  TRP  24           HE1      TRP  24  -9.613  10.933  -3.788
  187    HE3  TRP  24           HE3      TRP  24  -6.234   9.701  -7.744
  188    HZ2  TRP  24           HZ2      TRP  24 -10.806  11.111  -6.340
  189    HZ3  TRP  24           HZ3      TRP  24  -8.007  10.106  -9.401
  190    HH2  TRP  24           HH2      TRP  24 -10.245  10.796  -8.711
  191    H    LYS  25           H        LYS  25  -2.946   8.486  -3.161
  192    HA   LYS  25           HA       LYS  25  -1.152   7.858  -5.291
  193   1HB   LYS  25          1HB       LYS  25  -0.813   9.379  -3.194
  194   2HB   LYS  25          2HB       LYS  25  -0.333   7.868  -2.406
  195   1HG   LYS  25          1HG       LYS  25   0.933   8.530  -5.015
  196   2HG   LYS  25          2HG       LYS  25   1.423   9.453  -3.584
  197   1HD   LYS  25          1HD       LYS  25   1.557   7.012  -2.521
  198   2HD   LYS  25          2HD       LYS  25   1.822   6.579  -4.218
  199   1HE   LYS  25          1HE       LYS  25   3.710   8.083  -4.372
  200   2HE   LYS  25          2HE       LYS  25   3.395   8.683  -2.736
  201   1HZ   LYS  25          1HZ       LYS  25   4.219   5.921  -3.457
  202   2HZ   LYS  25          2HZ       LYS  25   3.846   6.441  -1.891
  203   3HZ   LYS  25          3HZ       LYS  25   5.181   7.090  -2.701
  204    H    GLN  26           H        GLN  26  -2.703   6.040  -2.791
  205    HA   GLN  26           HA       GLN  26  -0.935   3.867  -2.595
  206   1HB   GLN  26          1HB       GLN  26  -3.075   4.516  -1.212
  207   2HB   GLN  26          2HB       GLN  26  -3.892   3.469  -2.383
  208   1HG   GLN  26          1HG       GLN  26  -2.998   1.572  -1.546
  209   2HG   GLN  26          2HG       GLN  26  -1.469   2.359  -1.128
  210   1HE2  GLN  26          1HE2      GLN  26  -2.073   4.297   0.551
  211   2HE2  GLN  26          2HE2      GLN  26  -2.871   3.702   1.964
  212    H    GLN  27           H        GLN  27  -3.214   4.768  -5.035
  213    HA   GLN  27           HA       GLN  27  -3.703   2.285  -6.228
  214   1HB   GLN  27          1HB       GLN  27  -4.114   5.070  -6.864
  215   2HB   GLN  27          2HB       GLN  27  -3.587   4.179  -8.301
  216   1HG   GLN  27          1HG       GLN  27  -5.397   2.542  -7.928
  217   2HG   GLN  27          2HG       GLN  27  -5.948   3.516  -6.557
  218   1HE2  GLN  27          1HE2      GLN  27  -6.298   5.889  -7.128
  219   2HE2  GLN  27          2HE2      GLN  27  -7.144   6.195  -8.603
  220    H    ASN  28           H        ASN  28  -0.959   4.434  -6.410
  221    HA   ASN  28           HA       ASN  28   0.277   3.473  -8.718
  222   1HB   ASN  28          1HB       ASN  28   0.916   5.488  -7.266
  223   2HB   ASN  28          2HB       ASN  28   1.790   4.330  -6.256
  224   1HD2  ASN  28          1HD2      ASN  28   1.728   6.015  -9.260
  225   2HD2  ASN  28          2HD2      ASN  28   3.293   5.532  -9.810
  226    H    LEU  29           H        LEU  29   0.472   2.325  -5.374
  227    HA   LEU  29           HA       LEU  29   2.295   0.197  -6.068
  228   1HB   LEU  29          1HB       LEU  29   1.178   1.369  -3.630
  229   2HB   LEU  29          2HB       LEU  29   1.316  -0.398  -3.571
  230    HG   LEU  29           HG       LEU  29   3.255   1.010  -2.654
  231   1HD1  LEU  29          1HD1      LEU  29   3.510  -1.332  -2.874
  232   2HD1  LEU  29          2HD1      LEU  29   4.926  -0.603  -3.632
  233   3HD1  LEU  29          3HD1      LEU  29   3.615  -1.228  -4.632
  234   1HD2  LEU  29          1HD2      LEU  29   4.057   1.128  -5.546
  235   2HD2  LEU  29          2HD2      LEU  29   4.822   1.902  -4.160
  236   3HD2  LEU  29          3HD2      LEU  29   3.257   2.475  -4.737
  237    H    LYS  30           H        LYS  30  -1.136   0.553  -5.355
  238    HA   LYS  30           HA       LYS  30  -1.837  -2.140  -5.160
  239   1HB   LYS  30          1HB       LYS  30  -3.416  -0.456  -4.529
  240   2HB   LYS  30          2HB       LYS  30  -3.398   0.243  -6.156
  241   1HG   LYS  30          1HG       LYS  30  -4.225  -2.600  -5.884
  242   2HG   LYS  30          2HG       LYS  30  -5.345  -1.342  -5.330
  243   1HD   LYS  30          1HD       LYS  30  -4.389  -0.445  -7.812
  244   2HD   LYS  30          2HD       LYS  30  -4.719  -2.175  -8.016
  245   1HE   LYS  30          1HE       LYS  30  -6.679  -0.203  -6.822
  246   2HE   LYS  30          2HE       LYS  30  -6.662  -0.692  -8.523
  247   1HZ   LYS  30          1HZ       LYS  30  -8.257  -1.935  -7.102
  248   2HZ   LYS  30          2HZ       LYS  30  -6.943  -2.610  -6.277
  249   3HZ   LYS  30          3HZ       LYS  30  -7.157  -2.923  -7.926
  250    H    LYS  31           H        LYS  31  -1.693  -0.031  -8.012
  251    HA   LYS  31           HA       LYS  31  -2.449  -2.135  -9.814
  252   1HB   LYS  31          1HB       LYS  31  -2.916   0.295 -10.204
  253   2HB   LYS  31          2HB       LYS  31  -1.181   0.529 -10.471
  254   1HG   LYS  31          1HG       LYS  31  -1.225  -0.367 -12.535
  255   2HG   LYS  31          2HG       LYS  31  -2.425  -1.592 -12.084
  256   1HD   LYS  31          1HD       LYS  31  -4.191   0.133 -12.127
  257   2HD   LYS  31          2HD       LYS  31  -2.981   1.323 -12.640
  258   1HE   LYS  31          1HE       LYS  31  -3.474  -1.218 -14.187
  259   2HE   LYS  31          2HE       LYS  31  -4.421   0.252 -14.458
  260   1HZ   LYS  31          1HZ       LYS  31  -2.238  -0.248 -15.808
  261   2HZ   LYS  31          2HZ       LYS  31  -1.507   0.498 -14.477
  262   3HZ   LYS  31          3HZ       LYS  31  -2.668   1.332 -15.382
  263    H    GLU  32           H        GLU  32   0.516  -0.886  -8.519
  264    HA   GLU  32           HA       GLU  32   2.275  -1.886 -10.505
  265   1HB   GLU  32          1HB       GLU  32   3.020  -0.163  -8.993
  266   2HB   GLU  32          2HB       GLU  32   2.729  -1.211  -7.596
  267   1HG   GLU  32          1HG       GLU  32   4.496  -2.555  -9.390
  268   2HG   GLU  32          2HG       GLU  32   5.097  -0.916  -9.099
  269    HE2  GLU  32           HE2      GLU  32   5.553  -1.607  -5.666
  270    H    LYS  33           H        LYS  33   1.021  -3.221  -7.484
  271    HA   LYS  33           HA       LYS  33   1.203  -5.888  -8.354
  272   1HB   LYS  33          1HB       LYS  33   3.677  -5.133  -7.866
  273   2HB   LYS  33          2HB       LYS  33   3.204  -5.407  -6.181
  274   1HG   LYS  33          1HG       LYS  33   3.061  -7.665  -6.426
  275   2HG   LYS  33          2HG       LYS  33   2.602  -7.555  -8.133
  276   1HD   LYS  33          1HD       LYS  33   4.951  -6.809  -8.636
  277   2HD   LYS  33          2HD       LYS  33   5.352  -7.189  -6.952
  278   1HE   LYS  33          1HE       LYS  33   4.194  -9.163  -8.935
  279   2HE   LYS  33          2HE       LYS  33   5.912  -9.014  -8.537
  280   1HZ   LYS  33          1HZ       LYS  33   5.239 -10.688  -7.141
  281   2HZ   LYS  33          2HZ       LYS  33   3.709 -10.020  -6.870
  282   3HZ   LYS  33          3HZ       LYS  33   5.069  -9.346  -6.124
  283    H    LEU  34           H        LEU  34  -0.616  -6.548  -7.417
  284    HA   LEU  34           HA       LEU  34  -0.809  -6.784  -4.587
  285   1HB   LEU  34          1HB       LEU  34  -1.520  -4.323  -5.388
  286   2HB   LEU  34          2HB       LEU  34  -3.060  -5.167  -5.623
  287    HG   LEU  34           HG       LEU  34  -3.087  -4.119  -3.473
  288   1HD1  LEU  34          1HD1      LEU  34  -4.015  -6.445  -3.743
  289   2HD1  LEU  34          2HD1      LEU  34  -3.630  -5.961  -2.091
  290   3HD1  LEU  34          3HD1      LEU  34  -2.542  -7.034  -2.972
  291   1HD2  LEU  34          1HD2      LEU  34  -1.434  -4.624  -1.748
  292   2HD2  LEU  34          2HD2      LEU  34  -0.678  -3.881  -3.157
  293   3HD2  LEU  34          3HD2      LEU  34  -0.535  -5.620  -2.892
  294    H    LEU  35           H        LEU  35  -3.066  -6.409  -7.329
  295    HA   LEU  35           HA       LEU  35  -4.701  -8.584  -6.502
  296   1HB   LEU  35          1HB       LEU  35  -5.073  -6.489  -8.148
  297   2HB   LEU  35          2HB       LEU  35  -4.730  -7.756  -9.339
  298    HG   LEU  35           HG       LEU  35  -6.587  -9.097  -8.263
  299   1HD1  LEU  35          1HD1      LEU  35  -6.532  -7.619  -6.176
  300   2HD1  LEU  35          2HD1      LEU  35  -8.109  -8.087  -6.810
  301   3HD1  LEU  35          3HD1      LEU  35  -7.478  -6.471  -7.123
  302   1HD2  LEU  35          1HD2      LEU  35  -7.984  -8.317  -9.839
  303   2HD2  LEU  35          2HD2      LEU  35  -6.618  -7.297 -10.291
  304   3HD2  LEU  35          3HD2      LEU  35  -7.889  -6.657  -9.249
  305    H    PHE  36           H        PHE  36  -1.890  -8.292  -8.518
  306    HA   PHE  36           HA       PHE  36  -2.132 -11.137  -9.247
  307   1HB   PHE  36          1HB       PHE  36  -1.409  -8.784 -10.789
  308   2HB   PHE  36          2HB       PHE  36  -0.136 -10.004 -10.848
  309    HD1  PHE  36           HD1      PHE  36  -0.498 -12.166 -11.871
  310    HD2  PHE  36           HD2      PHE  36  -3.589  -9.241 -11.757
  311    HE1  PHE  36           HE1      PHE  36  -1.757 -13.435 -13.562
  312    HE2  PHE  36           HE2      PHE  36  -4.852 -10.505 -13.447
  313    HZ   PHE  36           HZ       PHE  36  -3.937 -12.606 -14.352